# systems

unique_id: ef9d80a27d530820603c8612117e4bcc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaSe/Ga2Se2-5d1bd949c62b", "uid": "2GaSe-3", "olduid": "Ga2Se2-b32262ec9841", "international": "C2/m", "number": 12, "has_inversion_symmetry": true, "lgnum": 18, "layergroup": "c2/m11", "bravais_type": "Centered rectangular (oc)", "thickness": 3.2361699976098954, "label": "Lyngby22_LDP", "gap": 1.6090940802801192, "gap_dir": 2.055468859246221, "gap_dir_nosoc": 2.0830276054864543, "evac": 1.4853048370024298, "efermi": -4.537362443263527, "vbm": -5.341909483403587, "cbm": -3.732815403123467, "minhessianeig": -2.9185635893963924e-15, "dyn_stab": "Yes", "gap_hse": 2.259203623403881, "gap_dir_hse": 2.790538226074145, "efermi_hse": -4.604501107207289, "vbm_hse": -5.73410291890923, "cbm_hse": -3.4748992955053497, "alphax_el": 2.6041785735972813, "alphay_el": 2.7391706411374326, "alphaz_el": 0.3635689658087685, "alphax_lat": 1.798449385995753, "alphax": 4.402627959593034, "alphay_lat": 2.6129499490167687, "alphay": 5.352120590154201, "alphaz_lat": 0.010875946758838021, "alphaz": 0.37444491256760654, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.04708834260883865, "hform": -0.5541140639583175}


unique_id: bed3127a46e5f1e04a73fb95b0b703e3
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/GaSe/Ga2Se2-9152a1cfb2a8", "uid": "2GaSe-4", "olduid": "Ga2Se2-d5a281627a5b", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.0501149173561792, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.23490349215546402, "hform": -0.36629891441169216}


unique_id: fb49de5a5b53ed7f9f122f0ae8ad7ffc
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClNa/Cl4Na4-83df425fee19", "uid": "4ClNa-1", "olduid": "Cl4Na4-4bafb8ae52c4", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 2.9940423737691493, "label": "Wang23", "gap": 5.098145670757296, "gap_dir": 5.098145670757296, "gap_dir_nosoc": 5.13873454286165, "evac": 2.0454057895876914, "efermi": -4.265030592210172, "vbm": -6.814103427588819, "cbm": -1.7159577568315236, "minhessianeig": -9.288870544451686e-15, "dyn_stab": "Yes", "gap_hse": 6.359629998494182, "gap_dir_hse": 6.359629998494182, "efermi_hse": -4.652793742816268, "vbm_hse": -7.832608742063359, "cbm_hse": -1.4729787435691768, "alphax_el": 0.6237821534148734, "alphay_el": 0.6244844299616117, "alphaz_el": 0.27509051681399754, "alphax_lat": 1.4897158366083108, "alphax": 2.113497990023184, "alphay_lat": 1.544744005145861, "alphay": 2.1692284351074727, "alphaz_lat": 0.24416446872138356, "alphaz": 0.5192549855353811, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.05977231120402493, "hform": -1.7782722005332905}


unique_id: 5894f71babd938175fd97e13cb02763c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CuSe/Cu2Se2-0fb3eda814f3", "uid": "2CuSe-4", "olduid": "Cu2Se2-0fb3eda814f3", "international": "P2/m", "number": 10, "has_inversion_symmetry": true, "lgnum": 14, "layergroup": "p2/m11", "bravais_type": "Rectangular (op)", "thickness": 2.7703739245459476, "label": "original03-18", "gap": 0.44711084243526233, "gap_dir": 0.9770972849164434, "gap_dir_nosoc": 0.9889866913656342, "evac": 2.5951592722327543, "efermi": -5.1892773994993275, "vbm": -5.412832820716959, "cbm": -4.965721978281696, "minhessianeig": -0.00326962522904495, "dyn_stab": "Yes", "gap_hse": 1.1163487227355335, "gap_dir_hse": 1.654450185333873, "efermi_hse": -5.748470584649818, "vbm_hse": -6.278060581034911, "cbm_hse": -5.161711858299377, "E_B": 0.8586155179083701, "alphax_el": 8.170567140441879, "alphay_el": 2.7599205090777668, "alphaz_el": 0.3433058473331893, "alphax_lat": 0.32906549136578783, "alphax": 8.499632631807666, "alphay_lat": 0.0693287343340047, "alphay": 2.8292492434117715, "alphaz_lat": 0.0012587094767815494, "alphaz": 0.34456455680997083, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.1009240174204491, "hform": -0.04035984037853968}


unique_id: 1348a4fb605d8050e7fc4cb67661bba8
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CuSe/Cu2Se2-21e73df39ca5", "uid": "2CuSe-6", "olduid": "Cu2Se2-21e73df39ca5", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.092688678663809, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.5903908221251584, "efermi": -6.168381535704994, "minhessianeig": -0.7155098247010663, "dyn_stab": "No", "alphax_el": 55.716136501078516, "alphay_el": 52.97953594736043, "alphaz_el": 0.5192580436621541, "plasmafrequency_x": 9.547259208804833, "plasmafrequency_y": 9.563514784849021, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.265221055313579, "hform": 0.1239371975145902}


unique_id: 56b2b6c0a2b2678de509475f3f82e617
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CuSe/Cu2Se2-6338a036fe4f", "uid": "2CuSe-5", "olduid": "Cu2Se2-6338a036fe4f", "international": "P-6m2", "number": 187, "has_inversion_symmetry": false, "lgnum": 78, "layergroup": "p-6m2", "bravais_type": "Hexagonal (hp)", "thickness": 2.736133901820887, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.104900363013238, "efermi": -4.179230109187074, "minhessianeig": -2.1276071601999954e-14, "dyn_stab": "Yes", "alphax_el": 91.03806649529739, "alphay_el": 91.03806649527377, "alphaz_el": 0.4221270951720593, "plasmafrequency_x": 4.5280742722623035, "plasmafrequency_y": 4.52807427226289, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.15791802680698108, "hform": 0.016634169007992305}


unique_id: 73444d0a4b04ff45585198b9146f9fe6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CuSe/Cu2Se2-9a926e9a5ca9", "uid": "2CuSe-1", "olduid": "Cu2Se2-9a926e9a5ca9", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 3.5613023556945134, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.6392281218800084, "efermi": -5.585588789107568, "minhessianeig": -2.5532034727825833e-15, "dyn_stab": "Yes", "alphax_el": 115.51181447785393, "alphay_el": 118.58814595985535, "alphaz_el": 0.6679731968750807, "plasmafrequency_x": 8.173644839511617, "plasmafrequency_y": 8.205256217505886, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.055739024658113756, "hform": -0.08554483314087502}


unique_id: 5961096336560ff312b43a4cfa37d3c0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/2el/Cu2Se2", "uid": "2CuSe-3", "olduid": "Cu2Se2-fd100f434576", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.198923272064146, "label": "exfoliated02-21", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 1.8493609477945463, "efermi": -5.66491003459377, "minhessianeig": -3.210167021850659e-13, "dyn_stab": "Yes", "alphax_el": 13.287355612127758, "alphay_el": 13.28735561212776, "alphaz_el": 0.4294732252234622, "plasmafrequency_x": 7.990223053143144, "plasmafrequency_y": 7.990223053143144, "icsd_id": 162904, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06935239975001029, "hform": -0.07193145804897849}


unique_id: e7d9a397a5d284e5a16f31aa23a200bb
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/AB/CuSe/Cu2Se2-5f564d5a3465", "uid": "2CuSe-2", "olduid": "Cu2Se2-d027168928ce", "international": "Pmmn", "number": 59, "has_inversion_symmetry": true, "lgnum": 46, "layergroup": "pmmn", "bravais_type": "Rectangular (op)", "thickness": 3.6773045642246593, "label": "Lyngby22_LDP", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 2.1461565132883647, "efermi": -5.094911049159542, "minhessianeig": -2.221071470417321e-13, "dyn_stab": "Yes", "alphax_el": 27.49357074677385, "alphay_el": 7.062372980105651, "alphaz_el": 0.4634788691660004, "plasmafrequency_x": 8.06034244168382, "plasmafrequency_y": 14.100363742704344, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.06038258711252631, "hform": -0.08090127068646247}


unique_id: c08645fbe171b5bb1f875d107adb0496
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/FTl/F5Tl5-466da53551d7", "uid": "5FTl-1", "olduid": "F5Tl5-4ea4a70c5fcb", "international": "P31m", "number": 157, "has_inversion_symmetry": false, "lgnum": 70, "layergroup": "p31m", "bravais_type": "Hexagonal (hp)", "thickness": 4.152255495709034, "label": "Wang23", "gap": 3.2324776796373995, "gap_dir": 3.252743318941671, "gap_dir_nosoc": 3.402005371241913, "evac": 2.2533865601365988, "efermi": -4.01459356773727, "vbm": -5.630832407555969, "cbm": -2.39835472791857, "minhessianeig": -0.0762865969614336, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.038734287817587185, "hform": -1.7851459857727363}


unique_id: ce40a92a3576ded083bcabeb3bf4b3bd
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/CsF/Cs2F2-fd11b1cd0dc1", "uid": "2CsF-1", "olduid": "Cs2F2-fd11b1cd0dc1", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 0.6399912815914028, "label": "original03-18", "gap": 4.151116844666914, "gap_dir": 4.151116844666914, "gap_dir_nosoc": 4.231459525205047, "evac": 1.3026538711553282, "efermi": -3.101055162558943, "vbm": -5.1766135848924, "cbm": -1.0254967402254864, "minhessianeig": -0.18852554642050745, "dyn_stab": "No", "gap_hse": 6.0586074735185305, "gap_dir_hse": 6.0586074735185305, "efermi_hse": -3.870309908145947, "vbm_hse": -6.8996136472205585, "cbm_hse": -0.8410061737020287, "E_B": 2.0904169337914436, "alphax_el": 0.33753796241578005, "alphay_el": 0.33753796241578005, "alphaz_el": 0.14172024302923317, "plasmafrequency_x": 0.0, "plasmafrequency_y": 0.0, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.12060760044514085, "hform": -2.5994907056803753}


unique_id: ea4ff1a76b5bb3edadbc29138b30cd06
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FSn/F2Sn2-327ecc5b4be0", "uid": "2FSn-1", "olduid": "F2Sn2-327ecc5b4be0", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 4.469759528634655, "label": "original03-18", "gap": 0.3160003345996545, "gap_dir": 0.4126764334137416, "gap_dir_nosoc": 0.0, "evac": 2.464697876050061, "efermi": -6.874591029829712, "vbm": -7.0325911971295385, "cbm": -6.716590862529884, "minhessianeig": -2.2891582669989915e-15, "dyn_stab": "Yes", "gap_hse": 0.29610962878035796, "gap_dir_hse": 0.409357393739886, "efermi_hse": -7.156299399705907, "vbm_hse": -7.3622759568077125, "cbm_hse": -7.066166328027355, "E_B": 0.32797911380798556, "alphax_el": 21.539500945969085, "alphay_el": 21.53950094600746, "alphaz_el": 0.2639633554792232, "alphax_lat": 43.25568345688808, "alphax": 64.79518440285716, "alphay_lat": 130.1289363557836, "alphay": 151.66843730179104, "alphaz_lat": 0.042599097479845506, "alphaz": 0.30656245295906875, "plasmafrequency_x": 0.2776833439402264, "plasmafrequency_y": 0.2776833439404705, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "topology": "Z2=1", "ehull": 0.3036195856643056, "hform": -1.459924231919857}


unique_id: 7a04213e92de0d1d36eb82aa59f571de
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_Wang23/AB/ClTl/Cl3Tl3-44d6e06558a5", "uid": "3ClTl-1", "olduid": "Cl3Tl3-70d153eeda80", "international": "P4/mmm", "number": 123, "has_inversion_symmetry": true, "lgnum": 61, "layergroup": "p4/mmm", "bravais_type": "Square (tp)", "thickness": 6.432210912006249, "label": "Wang23", "gap": 2.443032746008342, "gap_dir": 2.448532109000412, "gap_dir_nosoc": 2.8077379136714145, "evac": 3.3018335625973005, "efermi": -4.266241319571212, "vbm": -5.487757692575382, "cbm": -3.044724946567041, "minhessianeig": -9.863288197804382e-18, "dyn_stab": "Yes", "gap_hse": 3.231687582477005, "gap_dir_hse": 3.237561331180808, "efermi_hse": -4.485690012126753, "vbm_hse": -6.101533803365255, "cbm_hse": -2.8698462208882503, "alphax_el": 2.378197644041772, "alphay_el": 2.3673595669971923, "alphaz_el": 0.5544691447283668, "alphax_lat": 28.274884883805115, "alphax": 30.653082527846887, "alphay_lat": 26.922974058209242, "alphay": 29.290333625206433, "alphaz_lat": 0.4410177137655329, "alphaz": 0.9954868584938997, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.02692948530508484, "hform": -0.9972733850609844}


unique_id: fb4a42b39eac61282c15147ecc8d71ef
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FIr/F2Ir2-6ab59c2ae465", "uid": "2FIr-1", "olduid": "F2Ir2-6ab59c2ae465", "international": "P2/c", "number": 13, "has_inversion_symmetry": true, "lgnum": 7, "layergroup": "p112/a", "bravais_type": "Oblique (mp)", "thickness": 5.544128087914281, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 6.636399196033864, "efermi": -8.26336962190298, "minhessianeig": -1.141811794149766, "dyn_stab": "No", "alphax_el": 58.64787494705674, "alphay_el": 38.02908725387737, "alphaz_el": 7.396284499107635, "plasmafrequency_x": 14.470604195819277, "plasmafrequency_y": 15.33301024740742, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.37078880823162885, "hform": -0.5909806691454182}


unique_id: da7360fc6ff0df535feac7905727f0d4
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/FIr/F2Ir2-cd09243378d6", "uid": "2FIr-2", "olduid": "F2Ir2-cd09243378d6", "international": "P4/nmm", "number": 129, "has_inversion_symmetry": true, "lgnum": 64, "layergroup": "p4/nmm", "bravais_type": "Square (tp)", "thickness": 3.5788209402284474, "label": "original03-18", "gap": 0.0, "gap_dir": 0.0, "gap_dir_nosoc": 0.0, "evac": 3.753168962738723, "efermi": -7.829183492980656, "minhessianeig": -15.479647401415457, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 1.3775719696126605, "hform": 0.4158024922356134}


unique_id: 764b00fd541aef04377f27bc75ff4ee2
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree/AB/BrRe/Br2Re2-2a19e3a22295", "uid": "2BrRe-1", "olduid": "Br2Re2-2a19e3a22295", "international": "P-3m1", "number": 164, "has_inversion_symmetry": true, "lgnum": 72, "layergroup": "p-3m1", "bravais_type": "Hexagonal (hp)", "thickness": 5.427762857510648, "label": "original03-18", "gap": 0.099914493075832, "gap_dir": 0.1254415747391311, "gap_dir_nosoc": 0.0, "evac": 5.591471129999981, "efermi": -4.7111012653274145, "vbm": -4.76105851186533, "cbm": -4.661144018789498, "minhessianeig": -18.483589816315007, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.3100714773166506, "hform": 0.2466941459943799}


unique_id: fbfb16b82af0ce8ac3e246108a203cef
username: cmr
calculator: unknown
calculator_parameters: {}
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