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"results": [
{
"id": "jvasp-26375",
"created_at": "2022-09-04T14:37:46.574462Z",
"updated_at": "2022-09-04T14:37:46.574483Z",
"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n0.000000 6.137731 0.125695\n4.220433 0.000000 0.000000\n0.000000 -1.213145 -7.528638\nCd Bi Cl O\n2 2 2 4\ndirect\n0.343441 0.750000 0.098138 Cd\n0.656559 0.250000 0.901862 Cd\n0.693754 0.250000 0.404216 Bi\n0.306247 0.750000 0.595783 Bi\n0.034380 0.250000 0.806300 Cl\n0.965621 0.750000 0.193700 Cl\n0.487259 0.250000 0.144601 O\n0.512742 0.750000 0.855398 O\n0.548443 0.750000 0.408520 O\n0.451558 0.250000 0.591479 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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"Cl",
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],
"chemical_system": "Bi-Cd-Cl-O",
"density": 6.64366678875613,
"density_atomic": 0.05144631123580519,
"volume": 194.37739577021958,
"volume_molar": 11.705680378904908,
"formula_full": "Cd2 Bi2 Cl2 O4",
"formula_reduced": "CdBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.5742130235000003,
"spacegroup": 11
},
{
"id": "jvasp-29375",
"created_at": "2022-09-04T14:37:04.712467Z",
"updated_at": "2022-09-04T14:37:04.712492Z",
"structure_string": "Cd2 Bi2 Cl2 O4\n1.0\n4.220466 0.000000 0.000000\n0.000000 6.027930 -1.158246\n0.000000 0.072357 7.625789\nCd Bi Cl O\n2 2 2 4\ndirect\n0.750001 0.656553 0.901847 Cd\n0.250000 0.343447 0.098153 Cd\n0.250000 0.306215 0.595767 Bi\n0.750001 0.693785 0.404232 Bi\n0.250000 0.965596 0.193700 Cl\n0.750001 0.034404 0.806300 Cl\n0.250000 0.512714 0.855407 O\n0.750001 0.487287 0.144593 O\n0.750001 0.451521 0.591445 O\n0.250000 0.548480 0.408555 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
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],
"chemical_system": "Bi-Cd-Cl-O",
"density": 6.644298525103141,
"density_atomic": 0.05145120318866206,
"volume": 194.3589144714818,
"volume_molar": 11.704567409080646,
"formula_full": "Cd2 Bi2 Cl2 O4",
"formula_reduced": "CdBiClO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.5742130235000003,
"spacegroup": 11
},
{
"id": "jvasp-29499",
"created_at": "2022-09-04T14:37:53.446089Z",
"updated_at": "2022-09-04T14:37:53.446106Z",
"structure_string": "Cd2 Bi2 S4 Br2\n1.0\n4.058357 -0.000000 0.000000\n-2.029178 6.541732 -0.148550\n0.000000 -0.041374 9.562708\nCd Bi S Br\n2 2 4 2\ndirect\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.279031 0.558062 0.698607 Bi\n0.720970 0.441939 0.301394 Bi\n0.355630 0.711259 0.444774 S\n0.918481 0.836962 0.745438 S\n0.644371 0.288742 0.555227 S\n0.081519 0.163038 0.254562 S\n0.359340 0.718679 0.071206 Br\n0.640661 0.281321 0.928794 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"S",
"Br"
],
"chemical_system": "Bi-Br-Cd-S",
"density": 6.089027762142555,
"density_atomic": 0.03939297499431948,
"volume": 253.8523683840079,
"volume_molar": 15.287346946678692,
"formula_full": "Cd2 Bi2 S4 Br2",
"formula_reduced": "CdBiS2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4487036310000002,
"spacegroup": 12
},
{
"id": "jvasp-57459",
"created_at": "2022-09-04T14:38:35.722855Z",
"updated_at": "2022-09-04T14:38:35.722886Z",
"structure_string": "Cd4 Bi4 S8 Cl4\n1.0\n4.015101 0.000000 0.000000\n0.000000 9.493691 0.000000\n0.000000 0.000000 12.703806\nCd Bi S Cl\n4 4 8 4\ndirect\n0.750000 0.496537 0.738300 Cd\n0.250000 0.503462 0.261700 Cd\n0.750000 0.996537 0.761700 Cd\n0.250000 0.003463 0.238300 Cd\n0.250000 0.300467 0.976289 Bi\n0.250000 0.800467 0.523712 Bi\n0.750000 0.199533 0.476289 Bi\n0.750000 0.699533 0.023712 Bi\n0.250000 0.748080 0.167928 S\n0.250000 0.553929 0.889103 S\n0.750000 0.446070 0.110897 S\n0.750000 0.751920 0.667928 S\n0.250000 0.248080 0.332073 S\n0.750000 0.946070 0.389103 S\n0.750000 0.251920 0.832073 S\n0.250000 0.053930 0.610897 S\n0.250000 0.427548 0.604142 Cl\n0.750000 0.572452 0.395858 Cl\n0.750000 0.072452 0.104142 Cl\n0.250000 0.927548 0.895859 Cl\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Bi",
"S",
"Cl"
],
"chemical_system": "Bi-Cd-Cl-S",
"density": 5.774300161084428,
"density_atomic": 0.041301381239047,
"volume": 484.24530608898067,
"volume_molar": 14.580966978185634,
"formula_full": "Cd4 Bi4 S8 Cl4",
"formula_reduced": "CdBiS2Cl",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.4730556235000001,
"spacegroup": 62
},
{
"id": "jvasp-56546",
"created_at": "2022-09-04T14:37:40.216001Z",
"updated_at": "2022-09-04T14:37:40.216014Z",
"structure_string": "Cd4 Bi4 Se8 Br4\n1.0\n4.173554 0.000000 0.000000\n0.000000 10.023037 0.000000\n0.000000 0.000000 13.294841\nCd Bi Se Br\n4 4 8 4\ndirect\n0.749999 0.506003 0.736708 Cd\n0.749999 0.006003 0.763292 Cd\n0.250000 0.493997 0.263292 Cd\n0.250000 0.993997 0.236708 Cd\n0.749999 0.306101 0.025963 Bi\n0.250000 0.193900 0.525963 Bi\n0.749999 0.806101 0.474037 Bi\n0.250000 0.693900 0.974036 Bi\n0.749999 0.556561 0.113354 Se\n0.250000 0.943439 0.613354 Se\n0.250000 0.443439 0.886646 Se\n0.749999 0.748978 0.830652 Se\n0.250000 0.251022 0.169348 Se\n0.749999 0.248978 0.669348 Se\n0.250000 0.751023 0.330652 Se\n0.749999 0.056561 0.386646 Se\n0.749999 0.925169 0.103042 Br\n0.250000 0.574832 0.603042 Br\n0.749999 0.425169 0.396958 Br\n0.250000 0.074832 0.896958 Br\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"Br"
],
"chemical_system": "Bi-Br-Cd-Se",
"density": 6.678819295657802,
"density_atomic": 0.035961804631055215,
"volume": 556.145616305606,
"volume_molar": 16.745935922246552,
"formula_full": "Cd4 Bi4 Se8 Br4",
"formula_reduced": "CdBiSe2Br",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2455809776666668,
"spacegroup": 62
},
{
"id": "jvasp-54835",
"created_at": "2022-09-04T14:37:41.361933Z",
"updated_at": "2022-09-04T14:37:41.361952Z",
"structure_string": "Cd2 Bi2 Se4 I2\n1.0\n4.245405 -0.000000 0.000000\n-2.122702 6.895957 -0.138236\n0.000000 -0.050097 10.211763\nCd Bi Se I\n2 2 4 2\ndirect\n-0.000000 -0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.282865 0.565731 0.688425 Bi\n0.717134 0.434269 0.311574 Bi\n0.357211 0.714422 0.440223 Se\n0.642788 0.285578 0.559776 Se\n0.919866 0.839733 0.741681 Se\n0.080133 0.160267 0.258318 Se\n0.640328 0.280656 0.925123 I\n0.359671 0.719344 0.074876 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"Bi",
"Se",
"I"
],
"chemical_system": "Bi-Cd-I-Se",
"density": 6.7349551383276705,
"density_atomic": 0.03345247945200673,
"volume": 298.93150414595425,
"volume_molar": 18.002075955654604,
"formula_full": "Cd2 Bi2 Se4 I2",
"formula_reduced": "CdBiSe2I",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.2145214116666668,
"spacegroup": 12
},
{
"id": "jvasp-100482",
"created_at": "2022-09-04T14:36:34.555495Z",
"updated_at": "2022-09-04T14:36:34.555521Z",
"structure_string": "Cd1 Co1 Cu3 Se4\n1.0\n5.790920 0.000000 -0.000000\n0.000000 5.790920 0.000000\n-0.000000 0.000000 5.790920\nCd Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.236332 0.236332 0.236332 Se\n0.763668 0.763668 0.236332 Se\n0.236332 0.763668 0.763668 Se\n0.763668 0.236332 0.763668 Se\n",
"nsites": 9,
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"elements": [
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"Co",
"Cu",
"Se"
],
"chemical_system": "Cd-Co-Cu-Se",
"density": 5.7959173934964685,
"density_atomic": 0.046344672071599924,
"volume": 194.1970802187467,
"volume_molar": 12.994246136203381,
"formula_full": "Cd1 Co1 Cu3 Se4",
"formula_reduced": "CdCoCu3Se4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.7326317185185182,
"spacegroup": 215
},
{
"id": "jvasp-11157",
"created_at": "2022-09-04T14:37:15.133912Z",
"updated_at": "2022-09-04T14:37:15.133931Z",
"structure_string": "Cd2 Cu4 Ge2 S8\n1.0\n6.357971 0.000000 0.000000\n0.000000 6.601879 0.000000\n0.000000 0.000000 7.758645\nCd Cu Ge S\n2 4 2 8\ndirect\n0.506593 0.843009 0.500000 Cd\n0.006593 0.156991 0.000000 Cd\n0.004706 0.671897 0.749198 Cu\n0.504706 0.328103 0.249198 Cu\n0.504706 0.328103 0.750802 Cu\n0.004706 0.671897 0.250802 Cu\n0.009428 0.176475 0.500000 Ge\n0.509428 0.823525 0.000000 Ge\n0.103856 0.843038 0.500000 S\n0.603855 0.156962 0.000000 S\n0.651409 0.204062 0.500000 S\n0.151409 0.795938 0.000000 S\n0.642151 0.654826 0.768337 S\n0.642151 0.654826 0.231664 S\n0.142151 0.345174 0.268337 S\n0.142151 0.345174 0.731664 S\n",
"nsites": 16,
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"elements": [
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"Ge",
"S"
],
"chemical_system": "Cd-Cu-Ge-S",
"density": 4.491148113427191,
"density_atomic": 0.04913013966283359,
"volume": 325.66567304313656,
"volume_molar": 12.257528273536913,
"formula_full": "Cd2 Cu4 Ge2 S8",
"formula_reduced": "CdCu2GeS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.762973325,
"spacegroup": 31
},
{
"id": "jvasp-7687",
"created_at": "2022-09-04T14:37:04.825460Z",
"updated_at": "2022-09-04T14:37:04.825485Z",
"structure_string": "Cd1 Cu2 Ge1 Se4\n1.0\n5.290163 0.000000 -2.440792\n-1.126142 5.168910 -2.440792\n-0.000187 -0.000233 6.952927\nCd Cu Ge Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.749999 0.250000 0.500000 Cu\n0.250000 0.750000 0.500001 Cu\n0.500000 0.500000 0.000000 Ge\n0.403486 0.403486 0.271734 Se\n0.596513 0.131753 0.728267 Se\n0.131752 0.596514 0.728267 Se\n0.868247 0.868248 0.271734 Se\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cd-Cu-Ge-Se",
"density": 5.4849795861028445,
"density_atomic": 0.04207925264811664,
"volume": 190.11744497696205,
"volume_molar": 14.311425182285255,
"formula_full": "Cd1 Cu2 Ge1 Se4",
"formula_reduced": "CdCu2GeSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4857275083333332,
"spacegroup": 121
},
{
"id": "jvasp-90411",
"created_at": "2022-09-04T14:35:41.862374Z",
"updated_at": "2022-09-04T14:35:41.862390Z",
"structure_string": "Cd1 Cu2 Ge1 Te4\n1.0\n6.233132 -0.000000 -0.000000\n-0.000000 6.233132 -0.000000\n-3.116565 -3.116565 6.050203\nCd Cu Ge Te\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Cd\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.500000 0.500000 0.000000 Ge\n0.875551 0.875551 0.275920 Te\n0.400369 0.400369 0.275920 Te\n0.124449 0.599632 0.724080 Te\n0.599632 0.124449 0.724080 Te\n",
"nsites": 8,
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"elements": [
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"Te"
],
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"density": 5.810655306196541,
"density_atomic": 0.03403356096772975,
"volume": 235.0620908457247,
"volume_molar": 17.69471248016077,
"formula_full": "Cd1 Cu2 Ge1 Te4",
"formula_reduced": "CdCu2GeTe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.2286609583333333,
"spacegroup": 121
},
{
"id": "jvasp-104548",
"created_at": "2022-09-04T14:36:50.233559Z",
"updated_at": "2022-09-04T14:36:50.233575Z",
"structure_string": "Cd1 Cu3 Ni1 Se4\n1.0\n5.776183 0.000000 0.000000\n0.000000 5.776183 0.000000\n-0.000000 0.000000 5.776183\nCd Cu Ni Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 Cd\n-0.000000 0.500000 -0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 -0.000000 Cu\n0.000000 0.000000 0.000000 Ni\n0.235616 0.235616 0.235616 Se\n0.764384 0.764384 0.235616 Se\n0.235616 0.764384 0.764384 Se\n0.764384 0.235616 0.764384 Se\n",
"nsites": 9,
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],
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"density": 5.838326548135368,
"density_atomic": 0.046700300744351886,
"volume": 192.71824499092747,
"volume_molar": 12.895293315061446,
"formula_full": "Cd1 Cu3 Ni1 Se4",
"formula_reduced": "CdCu3NiSe4",
"formula_anonymous": "ABC3D4",
"energy_above_hull": 0.4329418851851849,
"spacegroup": 215
},
{
"id": "jvasp-9793",
"created_at": "2022-09-04T14:37:16.089657Z",
"updated_at": "2022-09-04T14:37:16.089677Z",
"structure_string": "Cd2 Cu4 Si2 S8\n1.0\n6.298310 0.000000 0.000000\n0.000000 6.495611 0.000000\n0.000000 0.000000 7.656219\nCd Cu Si S\n2 4 2 8\ndirect\n0.126991 0.652239 0.000000 Cd\n0.626991 0.347761 0.500000 Cd\n0.130512 0.175780 0.748353 Cu\n0.630512 0.824220 0.751647 Cu\n0.130512 0.175780 0.251647 Cu\n0.630512 0.824220 0.248353 Cu\n0.122914 0.680507 0.500000 Si\n0.622914 0.319493 0.000000 Si\n0.032688 0.359357 0.500000 S\n0.464907 0.707922 0.500000 S\n0.964907 0.292078 0.000000 S\n0.495738 0.159492 0.224194 S\n0.495738 0.159492 0.775806 S\n0.995738 0.840508 0.724194 S\n0.532689 0.640643 0.000000 S\n0.995738 0.840508 0.275806 S\n",
"nsites": 16,
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"elements": [
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"Si",
"S"
],
"chemical_system": "Cd-Cu-S-Si",
"density": 4.197103779709508,
"density_atomic": 0.05108125912711227,
"volume": 313.22642145889705,
"volume_molar": 11.789334998603518,
"formula_full": "Cd2 Cu4 Si2 S8",
"formula_reduced": "CdCu2SiS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.08871490625,
"spacegroup": 31
}
]
}