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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=1511",
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"results": [
{
"id": "jvasp-78357",
"created_at": "2022-09-04T14:37:56.324889Z",
"updated_at": "2022-09-04T14:37:56.324910Z",
"structure_string": "Ga1 N1\n1.0\n-2.270275 -2.270275 0.000000\n-2.270275 -0.000000 -2.270275\n-0.000000 -2.270275 -2.270275\nGa N\n1 1\ndirect\n0.749998 0.749998 0.749998 Ga\n0.000000 0.000000 0.000000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
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"N"
],
"chemical_system": "Ga-N",
"density": 5.9410503995482635,
"density_atomic": 0.08546033672806172,
"volume": 23.40266931505409,
"volume_molar": 7.046708438749426,
"formula_full": "Ga1 N1",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2851877874999995,
"spacegroup": 216
},
{
"id": "jvasp-8169",
"created_at": "2022-09-04T14:36:49.845616Z",
"updated_at": "2022-09-04T14:36:49.845637Z",
"structure_string": "Ga1 N1\n1.0\n2.780506 0.000000 1.605326\n0.926835 2.621486 1.605326\n-0.000000 0.000000 3.210651\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250001 0.250000 0.250000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
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],
"chemical_system": "Ga-N",
"density": 5.941062939584205,
"density_atomic": 0.08546051711294687,
"volume": 23.402619918116656,
"volume_molar": 7.046693564983909,
"formula_full": "Ga1 N1",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2851877874999995,
"spacegroup": 216
},
{
"id": "jvasp-8027",
"created_at": "2022-09-04T14:37:10.137361Z",
"updated_at": "2022-09-04T14:37:10.137393Z",
"structure_string": "Ga1 N1\n1.0\n2.611547 -0.000000 1.507777\n0.870516 2.462190 1.507777\n0.000000 0.000000 3.015554\nGa N\n1 1\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500002 0.500000 0.500000 N\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 7.1703790314759575,
"density_atomic": 0.10314388286360306,
"volume": 19.39038888660794,
"volume_molar": 5.8385825633146355,
"formula_full": "Ga1 N1",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy_above_hull": 1.5174477874999996,
"spacegroup": 225
},
{
"id": "jvasp-11435",
"created_at": "2022-09-04T14:37:19.361610Z",
"updated_at": "2022-09-04T14:37:19.361630Z",
"structure_string": "Ga1 Si1 Mo4 S8\n1.0\n6.457674 -0.000000 3.728339\n2.152558 6.088353 3.728339\n0.000000 0.000000 7.456680\nGa Si Mo S\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Si\n0.782352 0.405882 0.405883 Mo\n0.405882 0.405882 0.782352 Mo\n0.405882 0.405882 0.405882 Mo\n0.405882 0.782352 0.405883 Mo\n0.136033 0.136033 0.136033 S\n0.591901 0.136033 0.136033 S\n0.136033 0.136033 0.591901 S\n0.136033 0.591901 0.136033 S\n0.625839 0.122481 0.625840 S\n0.625840 0.625839 0.625840 S\n0.625840 0.625839 0.122481 S\n0.122481 0.625839 0.625840 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ga",
"Si",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S-Si",
"density": 4.180575668970773,
"density_atomic": 0.04775365176818611,
"volume": 293.17129646882665,
"volume_molar": 12.610848672335466,
"formula_full": "Ga1 Si1 Mo4 S8",
"formula_reduced": "GaSi(MoS2)4",
"formula_anonymous": "ABC4D8",
"energy_above_hull": 3.655831751785714,
"spacegroup": 216
},
{
"id": "jvasp-95753",
"created_at": "2022-09-04T14:36:05.219079Z",
"updated_at": "2022-09-04T14:36:05.219112Z",
"structure_string": "Ga1 Te4 Mo4 Se4\n1.0\n6.586432 -0.000000 3.802679\n2.195477 6.209748 3.802679\n-0.000000 0.000000 7.605357\nGa Te Mo Se\n1 4 4 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.137695 0.137696 0.137696 Te\n0.586914 0.137696 0.137696 Te\n0.137696 0.586915 0.137696 Te\n0.137695 0.137696 0.586915 Te\n0.404525 0.786425 0.404525 Mo\n0.404525 0.404525 0.404525 Mo\n0.404525 0.404525 0.786426 Mo\n0.786425 0.404525 0.404526 Mo\n0.631525 0.105422 0.631526 Se\n0.631526 0.631526 0.631526 Se\n0.631526 0.631526 0.105423 Se\n0.105423 0.631526 0.631526 Se\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Ga",
"Te",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se-Te",
"density": 6.831581901344104,
"density_atomic": 0.041792616205892995,
"volume": 311.05973208173856,
"volume_molar": 14.409580702800902,
"formula_full": "Ga1 Te4 Mo4 Se4",
"formula_reduced": "GaTe4(MoSe)4",
"formula_anonymous": "AB4C4D4",
"energy_above_hull": 3.058606189102564,
"spacegroup": 216
},
{
"id": "jvasp-57832",
"created_at": "2022-09-04T14:37:09.636097Z",
"updated_at": "2022-09-04T14:37:09.636117Z",
"structure_string": "Ga1 Mo4 Se8\n1.0\n6.292495 -0.000000 3.632974\n2.097498 5.932621 3.632974\n-0.000000 -0.000000 7.265947\nGa Mo Se\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ga\n0.400033 0.799899 0.400033 Mo\n0.799899 0.400033 0.400033 Mo\n0.400033 0.400033 0.799900 Mo\n0.400033 0.400033 0.400033 Mo\n0.136785 0.589646 0.136785 Se\n0.589646 0.136785 0.136785 Se\n0.136785 0.136785 0.589646 Se\n0.635980 0.635980 0.635980 Se\n0.635980 0.635980 0.092058 Se\n0.092059 0.635980 0.635980 Se\n0.635980 0.092059 0.635981 Se\n0.136785 0.136785 0.136785 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se",
"density": 6.643277063998601,
"density_atomic": 0.0479271542442711,
"volume": 271.2449801159211,
"volume_molar": 12.565195774626757,
"formula_full": "Ga1 Mo4 Se8",
"formula_reduced": "Ga(MoSe2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2278848352564102,
"spacegroup": 216
},
{
"id": "jvasp-56789",
"created_at": "2022-09-04T14:37:16.230963Z",
"updated_at": "2022-09-04T14:37:16.230983Z",
"structure_string": "Ga1 Mo4 Se8\n1.0\n6.310599 0.025837 3.601673\n2.103468 5.949770 3.601673\n0.036380 0.025837 7.265975\nGa Mo Se\n1 4 8\ndirect\n0.002197 0.002197 0.002197 Ga\n0.802098 0.402238 0.402237 Mo\n0.402237 0.402238 0.802097 Mo\n0.402230 0.402230 0.402229 Mo\n0.402238 0.802098 0.402237 Mo\n0.138990 0.591838 0.138990 Se\n0.638179 0.638179 0.094263 Se\n0.138990 0.138990 0.591838 Se\n0.591837 0.138990 0.138990 Se\n0.638183 0.638184 0.638183 Se\n0.138980 0.138980 0.138980 Se\n0.094264 0.638179 0.638178 Se\n0.638178 0.094264 0.638178 Se\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se",
"density": 6.643150308266133,
"density_atomic": 0.047926239779695436,
"volume": 271.25015565080105,
"volume_molar": 12.565435526931024,
"formula_full": "Ga1 Mo4 Se8",
"formula_reduced": "Ga(MoSe2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.2278848352564102,
"spacegroup": 216
},
{
"id": "jvasp-114277",
"created_at": "2022-09-04T14:38:40.717541Z",
"updated_at": "2022-09-04T14:38:40.717568Z",
"structure_string": "Ga1 Mo1 Se4\n1.0\n3.411320 -0.000000 0.000000\n-1.705660 2.954290 -0.000000\n0.000000 0.000000 21.671382\nGa Mo Se\n1 1 4\ndirect\n0.333333 0.666667 0.150919 Ga\n0.666667 0.333333 0.450733 Mo\n0.333333 0.666667 0.526791 Se\n0.666667 0.333333 0.072720 Se\n0.666667 0.333333 0.229767 Se\n0.333333 0.666667 0.374674 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"Se"
],
"chemical_system": "Ga-Mo-Se",
"density": 3.6608834481786108,
"density_atomic": 0.0274719228397387,
"volume": 218.40480679134976,
"volume_molar": 21.921074819301868,
"formula_full": "Ga1 Mo1 Se4",
"formula_reduced": "GaMoSe4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0034086152777784,
"spacegroup": 156
},
{
"id": "jvasp-114275",
"created_at": "2022-09-04T14:38:40.708888Z",
"updated_at": "2022-09-04T14:38:40.708913Z",
"structure_string": "Ga1 Mo1 S2\n1.0\n3.162924 -0.000000 0.000000\n-1.581462 2.739172 -0.000000\n-0.000000 -0.000000 8.936698\nGa Mo S\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ga\n0.000000 0.000000 0.500000 Mo\n0.333332 0.666666 0.678321 S\n0.333332 0.666666 0.321679 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S",
"density": 4.92834100537407,
"density_atomic": 0.05166243228975478,
"volume": 77.42570031479613,
"volume_molar": 11.656711643431965,
"formula_full": "Ga1 Mo1 S2",
"formula_reduced": "GaMoS2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.17828205625,
"spacegroup": 187
},
{
"id": "jvasp-57521",
"created_at": "2022-09-04T14:37:29.860639Z",
"updated_at": "2022-09-04T14:37:29.860662Z",
"structure_string": "Ga1 Mo4 S8\n1.0\n6.020165 0.022823 3.438421\n2.006547 5.675973 3.438421\n0.032147 0.022823 6.932827\nGa Mo S\n1 4 8\ndirect\n0.001204 0.001204 0.001204 Ga\n0.808317 0.398836 0.398837 Mo\n0.398843 0.398841 0.398841 Mo\n0.398838 0.398836 0.808316 Mo\n0.398838 0.808315 0.398837 Mo\n0.635111 0.635108 0.635109 S\n0.136760 0.594558 0.136759 S\n0.136755 0.136754 0.136754 S\n0.136760 0.136758 0.594559 S\n0.635108 0.635105 0.099513 S\n0.594560 0.136758 0.136759 S\n0.099514 0.635105 0.635106 S\n0.635107 0.099513 0.635106 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S",
"density": 5.003355512532644,
"density_atomic": 0.05516904088147228,
"volume": 235.63940558491495,
"volume_molar": 10.915797454116062,
"formula_full": "Ga1 Mo4 S8",
"formula_reduced": "Ga(MoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.5869989173076924,
"spacegroup": 216
},
{
"id": "jvasp-57702",
"created_at": "2022-09-04T14:38:33.292090Z",
"updated_at": "2022-09-04T14:38:33.292117Z",
"structure_string": "Ga1 Mo4 S8\n1.0\n6.018200 0.020007 3.441775\n2.005897 5.674109 3.441775\n0.028194 0.020007 6.932802\nGa Mo S\n1 4 8\ndirect\n0.001164 0.001164 0.001164 Ga\n0.398797 0.398799 0.808278 Mo\n0.398798 0.808278 0.398798 Mo\n0.398804 0.398805 0.398804 Mo\n0.808277 0.398799 0.398798 Mo\n0.594520 0.136722 0.136722 S\n0.136721 0.136722 0.594520 S\n0.136722 0.594520 0.136722 S\n0.136717 0.136718 0.136718 S\n0.099471 0.635070 0.635069 S\n0.635066 0.635067 0.635067 S\n0.635069 0.099471 0.635069 S\n0.635069 0.635070 0.099471 S\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ga",
"Mo",
"S"
],
"chemical_system": "Ga-Mo-S",
"density": 5.003393524848996,
"density_atomic": 0.05516946002079381,
"volume": 235.6376153600234,
"volume_molar": 10.9157145234523,
"formula_full": "Ga1 Mo4 S8",
"formula_reduced": "Ga(MoS2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.5869989173076924,
"spacegroup": 216
},
{
"id": "jvasp-14524",
"created_at": "2022-09-04T14:38:03.674846Z",
"updated_at": "2022-09-04T14:38:03.674864Z",
"structure_string": "Ga2 Mo6\n1.0\n4.964847 0.000000 0.000000\n-0.000000 4.964847 0.000000\n0.000000 -0.000000 4.964847\nGa Mo\n2 6\ndirect\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Ga\n0.250000 0.000000 0.500000 Mo\n0.750000 0.000000 0.500000 Mo\n0.000000 0.500000 0.250000 Mo\n0.000000 0.500000 0.750000 Mo\n0.500000 0.750000 0.000000 Mo\n0.500000 0.250000 0.000000 Mo\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ga",
"Mo"
],
"chemical_system": "Ga-Mo",
"density": 9.702636568995937,
"density_atomic": 0.06536908084544725,
"volume": 122.38201756139846,
"volume_molar": 9.212521703094168,
"formula_full": "Ga2 Mo6",
"formula_reduced": "GaMo3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.33939500625,
"spacegroup": 223
}
]
}