# systems

unique_id: a5041baf895a7f0efd7097addac164c7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/IIrNi2S4/IIrNi2S4-4db0468c0582", "uid": "1IIrNi2S4-1", "olduid": "IIrNi2S4-86fd930d1e99", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 13, "layergroup": "cm11", "bravais_type": "Centered rectangular (oc)", "thickness": 5.204600866657174, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.34987035622224927, "hform": -0.01583429482331855}


unique_id: bab8aaaacfd662c65ec4cf9b08c7076b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/HfIrCl2Br4/HfIrCl2Br4-4d58e2964498", "uid": "1HfIrCl2Br4-1", "olduid": "HfIrCl2Br4-f6ffdaf5a29a", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.494195768620525, "label": "Lyngby22_CDVAE", "gap": 0.6962638390022977, "gap_dir": 0.7364044822278719, "gap_dir_nosoc": 0.8484008478156644, "evac": 3.087760048138964, "efermi": -4.915873419070917, "vbm": -5.2640053385720655, "cbm": -4.5677414995697685, "minhessianeig": -1.2125971914237428e-15, "dyn_stab": "Yes", "gap_hse": 2.1248984853188944, "gap_dir_hse": 2.1713733672482944, "efermi_hse": -5.072643077546343, "vbm_hse": -6.13509232020579, "cbm_hse": -4.010193834886896, "alphax_el": 2.1452299372840646, "alphay_el": 1.8568354192679457, "alphaz_el": 0.3482521569040694, "alphax_lat": 2.5297047539689954, "alphax": 4.6749346912530605, "alphay_lat": 1.3407449772864957, "alphay": 3.197580396554441, "alphaz_lat": 0.03304923562544942, "alphaz": 0.38130139252951883, "is_magnetic": true, "spin_axis": "y", "dE_zx": -1.494725356451454, "dE_zy": 0.5764271702446422, "ehull": 0.07708312688745056, "hform": -0.9526075354216621}


unique_id: 789a3d219ac4574a15f36b0a8325350f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/SeZnH2S4/Se2Zn2H4S8-b64c2fc52801", "uid": "2SeZnH2S4-1", "olduid": "Se2Zn2H4S8-87baa47409ae", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 5.111856751133772, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.164797278127513, "hform": -0.11030003437451086}


unique_id: 215051b2313d8b530756fd8469443a6f
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/ClIS2Ni4/ClIS2Ni4-f64097a4ecc7", "uid": "1ClIS2Ni4-1", "olduid": "ClIS2Ni4-851c403ace90", "international": "Pm", "number": 6, "has_inversion_symmetry": false, "lgnum": 11, "layergroup": "pm11", "bravais_type": "Rectangular (op)", "thickness": 6.219783860962862, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.14789002547148467, "hform": -0.22416294962927452}


unique_id: b55bd07bdd66af96fad916d06007e5b9
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/MoSeMn2Te4/MoSeMn2Te4-9c1292712dd1", "uid": "1MoSeMn2Te4-1", "olduid": "MoSeMn2Te4-d2ec3b75924c", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 3.668161100940523, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.13740341716034643, "hform": -0.16400422270846704}


unique_id: eaedb54485bea7ccde8b34cfdba7c3aa
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/SeZnF2S4/Se2Zn2F4S8-d83180c37589", "uid": "2SeZnF2S4-1", "olduid": "Se2Zn2F4S8-b8d45423410a", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 6.2710951066114795, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.3867018752616218, "hform": -0.517270957358297}


unique_id: dd64148b7bfa1168fdedafd481237a5a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/ClSeGe2I4/ClSeGe2I4-967d5ce74fbe", "uid": "1ClSeGe2I4-1", "olduid": "ClSeGe2I4-0e9d6f2bd06d", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 4.846724188480813, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.16413228313733796, "hform": -0.23952520397409538}


unique_id: 1171d12d06712a816644ea6b3447d4b6
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/IrZnAu2O4/IrZnAu2O4-2a27af7e0dc7", "uid": "1IrZnAu2O4-1", "olduid": "IrZnAu2O4-40b86fa689bd", "international": "Pmm2", "number": 25, "has_inversion_symmetry": false, "lgnum": 23, "layergroup": "pmm2", "bravais_type": "Rectangular (op)", "thickness": 7.377263178945575, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.4263698988177358, "hform": -0.2798841326316728}


unique_id: fcb4f24887ad5d3387a499159fd6b2a0
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/CdTeH2O4/Cd2Te2H4O8-c1bc5a3eda61", "uid": "2CdTeH2O4-1", "olduid": "Cd2Te2H4O8-ef5929cd5ea2", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 4.519266692956032, "label": "Lyngby22_LDP", "gap": 3.91771989216458, "gap_dir": 3.928170773857885, "gap_dir_nosoc": 3.9745743306338093, "evac": 1.6195320570658422, "efermi": -3.9609550915861362, "vbm": -5.919815037668426, "cbm": -2.0020951455038465, "minhessianeig": -0.029183031977824275, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.011237359797268809, "hform": -1.1268663491916202}


unique_id: 6535f8e61b8d20aa19d444bcfa12a95c
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/BrNaS2H4/Br2Na2S4H8-abf94f691410", "uid": "2BrNaS2H4-1", "olduid": "Br2Na2S4H8-73e1fc65247b", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 5.747275216346777, "label": "Lyngby22_LDP", "gap": 4.098541911453981, "gap_dir": 4.100255332357837, "gap_dir_nosoc": 4.177760780945367, "evac": 0.9422142457734837, "efermi": -3.7323822015599513, "vbm": -5.781653157286941, "cbm": -1.683111245832961, "minhessianeig": -0.019359976915341862, "dyn_stab": "No", "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.0304781343024334, "hform": -0.5064400547542416}


unique_id: 9041a075332df7fbe5aa30237bde313a
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/HfSnO2Cl4/HfSnO2Cl4-68caa870bf87", "uid": "1HfSnO2Cl4-1", "olduid": "HfSnO2Cl4-c9c6fab64fcd", "international": "Cmmm", "number": 65, "has_inversion_symmetry": true, "lgnum": 47, "layergroup": "cmmm", "bravais_type": "Centered rectangular (oc)", "thickness": 3.5300493891163534, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.1904270585704262, "hform": -1.7242729651167354}


unique_id: 35307b72fe8a9857ef5a7eb83d71d70b
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/AuTlI2S4/AuTlI2S4-640a7f5cd731", "uid": "1AuTlI2S4-1", "olduid": "AuTlI2S4-50114ecb818d", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 8.399257122262087, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2327543632199051, "hform": 0.03892862365077887}


unique_id: dea33cd45b9367feed902062c3fc11b7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SSeFe2Br4/SSeFe2Br4-842d0c219387", "uid": "1SSeFe2Br4-1", "olduid": "SSeFe2Br4-6527e1402c86", "international": "Amm2", "number": 38, "has_inversion_symmetry": false, "lgnum": 35, "layergroup": "cm2m", "bravais_type": "Centered rectangular (oc)", "thickness": 3.314449788564173, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.14603217317679462, "hform": -0.2726762666657354}


unique_id: b1f8ebbdb50883b8723208dc5b6acebe
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/BrScZr2I4/BrScZr2I4-4dbe188f8593", "uid": "1BrScZr2I4-1", "olduid": "BrScZr2I4-bea971ff5905", "international": "Cm", "number": 8, "has_inversion_symmetry": false, "lgnum": 13, "layergroup": "cm11", "bravais_type": "Centered rectangular (oc)", "thickness": 4.217735725279372, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.2871126832653541, "hform": -0.7876919936027429}


unique_id: ce6fe951d24862ba1a0850800386b869
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/SnZnCl2I4/SnZnCl2I4-b4a5e666b90c", "uid": "1SnZnCl2I4-1", "olduid": "SnZnCl2I4-4001a7694a61", "international": "C2", "number": 5, "has_inversion_symmetry": false, "lgnum": 10, "layergroup": "c211", "bravais_type": "Centered rectangular (oc)", "thickness": 3.4545029709121664, "label": "Lyngby22_CDVAE", "gap": 1.1006329203367469, "gap_dir": 1.1077232371788805, "gap_dir_nosoc": 1.2799339879062006, "evac": 2.9487984446586433, "efermi": -5.668803451941569, "vbm": -6.219119912109942, "cbm": -5.118486991773196, "minhessianeig": -7.006761259503494e-16, "dyn_stab": "Yes", "gap_hse": 1.8880223841901533, "gap_dir_hse": 1.8882979755770144, "efermi_hse": -5.926159989644287, "vbm_hse": -6.870171181739364, "cbm_hse": -4.98214879754921, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.09376750943553458, "hform": -0.5846319411043928}


unique_id: 86a9bd334b9d7fd73089be8b76059d13
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/SZnH2O4/S2Zn2H4O8-caccf1e02184", "uid": "2SZnH2O4-1", "olduid": "S2Zn2H4O8-4fef4015b588", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 3.8114323696514134, "label": "Lyngby22_LDP", "gap": 4.521038283796077, "gap_dir": 4.521038283796077, "gap_dir_nosoc": 4.521697926899055, "evac": 1.6301048126680022, "efermi": -4.246410687230875, "vbm": -6.5069298291289135, "cbm": -1.9858915453328359, "minhessianeig": -5.958347625781084e-15, "dyn_stab": "Yes", "gap_hse": 6.106114847461798, "gap_dir_hse": 6.106114847461798, "efermi_hse": -4.483289938210966, "vbm_hse": -7.536347361941865, "cbm_hse": -1.430232514480066, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.03916386933996341, "hform": -1.2194311126661423}


unique_id: 654793f84f3b5b071a6951774cd23636
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/AgGaCl2Br4/AgGaCl2Br4-a013c1206eca", "uid": "1AgGaCl2Br4-1", "olduid": "AgGaCl2Br4-0e3f0b910494", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 3.305800518872772, "label": "Lyngby22_CDVAE", "gap": 0.44379311422008794, "gap_dir": 0.46584879265924517, "gap_dir_nosoc": 0.5415305304498412, "evac": 2.5939924647900705, "efermi": -6.8396220701636095, "vbm": -7.061518627273653, "cbm": -6.617725513053565, "minhessianeig": -2.8928796025868653e-15, "dyn_stab": "Yes", "gap_hse": 1.1448886184668714, "gap_dir_hse": 1.1755041343213524, "efermi_hse": -7.381454716845188, "vbm_hse": -7.953899026078624, "cbm_hse": -6.809010407611753, "alphax_el": 2.524725639593418, "alphay_el": 4.4977848611811995, "alphaz_el": 0.34677963635872505, "alphax_lat": 6.465179642550931, "alphax": 8.989905282144349, "alphay_lat": 1.7981654380497867, "alphay": 6.295950299230986, "alphaz_lat": 0.024300046641015823, "alphaz": 0.37107968299974087, "is_magnetic": false, "spin_axis": "z", "dE_zx": 0.0, "dE_zy": 0.0, "ehull": 0.07832110062596243, "hform": -0.5248184186189515}


unique_id: 967ff90fcd3d2a09b124a2098d55bd36
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/ILiS2F4/I2Li2S4F8-0e8c61376e7a", "uid": "2ILiS2F4-1", "olduid": "I2Li2S4F8-973e64f89e0a", "international": "P-1", "number": 2, "has_inversion_symmetry": true, "lgnum": 2, "layergroup": "p-1", "bravais_type": "Oblique (mp)", "thickness": 4.182629160133358, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.36101538873498207, "hform": -1.1899224540567381}


unique_id: db78ba5f345e645fd17441123d98db14
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/ICSD-COD/4el/Mn4H8O16S4", "uid": "2MnSH2O4-1", "olduid": "Mn2S2H4O8-09dd87e596de", "international": "Pc", "number": 7, "has_inversion_symmetry": false, "lgnum": 5, "layergroup": "p11a", "bravais_type": "Oblique (mp)", "thickness": 5.858722311201928, "label": "exfoliated02-21", "gap": 2.1119055200037824, "gap_dir": 2.1327517968534693, "gap_dir_nosoc": 2.138132916632303, "evac": 1.3658862239771383, "efermi": -3.1574334823375096, "vbm": -4.213386242339401, "cbm": -2.1014807223356184, "minhessianeig": -3.4559719386455464e-15, "dyn_stab": "Yes", "gap_hse": 4.957406461957355, "gap_dir_hse": 5.109108386001668, "efermi_hse": -3.3471034129018515, "vbm_hse": -5.825806643880529, "cbm_hse": -0.8684001819231739, "alphax_el": 1.0238819380167243, "alphay_el": 0.9963161443541289, "alphaz_el": 0.32286087734522667, "alphax_lat": 2.576167845157033, "alphax": 3.6000497831737572, "alphay_lat": 3.1899881857227803, "alphay": 4.18630433007691, "alphaz_lat": 0.3070839628126831, "alphaz": 0.6299448401579097, "icsd_id": 74810, "is_magnetic": true, "spin_axis": "z", "dE_zx": -0.03916094669875747, "dE_zy": -0.1435436308838689, "J": -2.121892651211965, "lam": 3.0778692234889604e-05, "A": 0.00920464561886547, "spin": 2.5, "N_nn": 2, "ehull": 0.0821549482925823, "hform": -1.1781593687557228}


unique_id: 5a3b540b8d6d905330c894be32bd0a66
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/ClNaS2F4/Cl2Na2S4F8-9a37fec4b6b4", "uid": "2ClNaS2F4-1", "olduid": "Cl2Na2S4F8-3238fbd67a22", "international": "P1", "number": 1, "has_inversion_symmetry": false, "lgnum": 1, "layergroup": "p1", "bravais_type": "Oblique (mp)", "thickness": 10.830241086176551, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.2015829591322824, "hform": -1.3383929082017385}


unique_id: a9ed9cfdf10f3a47843931c7c834abf7
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_LDP/ABC2D4/HgSH2O4/Hg2S2H4O8-3517c8ab9208", "uid": "2HgSH2O4-1", "olduid": "Hg2S2H4O8-ca12dcf00ae3", "international": "Pmn2_1", "number": 31, "has_inversion_symmetry": false, "lgnum": 32, "layergroup": "pm2_1n", "bravais_type": "Rectangular (op)", "thickness": 4.413731083804777, "label": "Lyngby22_LDP", "dyn_stab": "Unknown", "ehull": 0.10800506315423086, "hform": -0.9522443756995003}


unique_id: ae6cbc97fd3a3e92327c985d64cb3125
username: cmr
calculator: unknown
calculator_parameters: {}
key_value_pairs:
  {"folder": "/home/niflheim2/cmr/C2DB-ASR/tree_CDVAE/ABC2D4/MnPdO2Cl4/MnPdO2Cl4-009ef0255551", "uid": "1MnPdO2Cl4-1", "olduid": "MnPdO2Cl4-34c0a5ee945c", "international": "Cmmm", "number": 65, "has_inversion_symmetry": true, "lgnum": 47, "layergroup": "cmmm", "bravais_type": "Centered rectangular (oc)", "thickness": 3.263270850843983, "label": "Lyngby22_CDVAE", "dyn_stab": "Unknown", "ehull": 0.1799196174978217, "hform": -0.6376252283075909}


unique_id: 717bdf1ad23173790795121ea494ea54
username: cmr
calculator: unknown
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