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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=700",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-chemical_system&page=698",
"results": [
{
"id": "jvasp-111025",
"created_at": "2022-09-04T14:38:36.318741Z",
"updated_at": "2022-09-04T14:38:36.318763Z",
"structure_string": "Mn1 Zn4 Se5\n1.0\n6.213289 0.001160 3.313219\n4.883193 3.841794 3.313219\n-0.007371 -0.002553 9.964842\nMn Zn Se\n1 4 5\ndirect\n0.000976 0.000977 0.998997 Mn\n0.600690 0.600689 0.596355 Zn\n0.199040 0.199039 0.201314 Zn\n0.801672 0.801671 0.799068 Zn\n0.398121 0.398120 0.403375 Zn\n0.798869 0.798868 0.551782 Se\n0.397247 0.397246 0.154989 Se\n0.001666 0.001667 0.745941 Se\n0.598775 0.598774 0.348908 Se\n0.202946 0.202947 0.949270 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Zn",
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],
"chemical_system": "Mn-Se-Zn",
"density": 4.965149641294886,
"density_atomic": 0.04203250070035153,
"volume": 237.91113622502996,
"volume_molar": 14.327343507186656,
"formula_full": "Mn1 Zn4 Se5",
"formula_reduced": "MnZn4Se5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.519897567471264,
"spacegroup": 8
},
{
"id": "jvasp-59603",
"created_at": "2022-09-04T14:37:13.118835Z",
"updated_at": "2022-09-04T14:37:13.118859Z",
"structure_string": "Yb4 Mn2 Se8\n1.0\n6.965018 -0.000000 4.021255\n2.321673 6.566682 4.021255\n-0.000000 -0.000000 8.042510\nYb Mn Se\n4 2 8\ndirect\n0.500000 0.500000 0.500001 Yb\n0.500000 0.000000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.500000 0.000001 Yb\n0.875000 0.875000 0.875001 Mn\n0.125000 0.125000 0.125000 Mn\n0.244962 0.244962 0.765116 Se\n0.755038 0.755038 0.755039 Se\n0.755038 0.755038 0.234886 Se\n0.244962 0.765115 0.244963 Se\n0.244962 0.244962 0.244962 Se\n0.234884 0.755038 0.755039 Se\n0.755038 0.234885 0.755039 Se\n0.765116 0.244962 0.244962 Se\n",
"nsites": 14,
"nelements": 3,
"elements": [
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"Mn",
"Se"
],
"chemical_system": "Mn-Se-Yb",
"density": 6.472207291832401,
"density_atomic": 0.03805994860104807,
"volume": 367.84074899182804,
"volume_molar": 15.822776912090118,
"formula_full": "Yb4 Mn2 Se8",
"formula_reduced": "Yb2MnSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1789817297208542,
"spacegroup": 227
},
{
"id": "jvasp-109715",
"created_at": "2022-09-04T14:38:48.247286Z",
"updated_at": "2022-09-04T14:38:48.247321Z",
"structure_string": "Mn4 V1 Se5\n1.0\n3.767906 0.004346 15.236029\n1.859669 3.277006 15.236029\n0.007454 0.004346 15.695020\nMn V Se\n4 1 5\ndirect\n0.599353 0.599356 0.599353 Mn\n0.200014 0.200015 0.200014 Mn\n0.799985 0.799989 0.799984 Mn\n0.400645 0.400647 0.400645 Mn\n0.000000 0.000000 0.000000 V\n0.699076 0.699079 0.699076 Se\n0.099832 0.099833 0.099832 Se\n0.499999 0.500002 0.499999 Se\n0.300923 0.300924 0.300923 Se\n0.900166 0.900171 0.900166 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mn",
"V",
"Se"
],
"chemical_system": "Mn-Se-V",
"density": 5.720796361640533,
"density_atomic": 0.051768246636092516,
"volume": 193.16860527063048,
"volume_molar": 11.632885313526149,
"formula_full": "Mn4 V1 Se5",
"formula_reduced": "Mn4VSe5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 3.3539199998850573,
"spacegroup": 166
},
{
"id": "jvasp-12277",
"created_at": "2022-09-04T14:37:04.612964Z",
"updated_at": "2022-09-04T14:37:04.612989Z",
"structure_string": "U2 Mn2 Se6\n1.0\n3.907667 0.000000 0.000000\n-1.953834 5.541062 -0.000000\n0.000000 -0.000000 9.158653\nU Mn Se\n2 2 6\ndirect\n0.222101 0.444200 0.250000 U\n0.777901 0.555799 0.750000 U\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.078003 0.156005 0.750000 Se\n0.921999 0.843995 0.250000 Se\n0.364303 0.728606 0.960390 Se\n0.635698 0.271394 0.039610 Se\n0.635698 0.271394 0.460390 Se\n0.364303 0.728606 0.539610 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"U",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-U",
"density": 8.873345136561694,
"density_atomic": 0.05042638533508461,
"volume": 198.30888003472282,
"volume_molar": 11.942439895270546,
"formula_full": "U2 Mn2 Se6",
"formula_reduced": "UMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.918658668275862,
"spacegroup": 63
},
{
"id": "jvasp-21724",
"created_at": "2022-09-04T14:38:34.367365Z",
"updated_at": "2022-09-04T14:38:34.367380Z",
"structure_string": "Th2 Mn2 Se6\n1.0\n4.047230 0.000000 0.000000\n-2.023615 6.340571 -0.000000\n0.000000 -0.000000 9.354454\nTh Mn Se\n2 2 6\ndirect\n0.249616 0.499234 0.250000 Th\n0.750382 0.500766 0.750000 Th\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.080508 0.161018 0.750000 Se\n0.919490 0.838982 0.250000 Se\n0.357368 0.714739 0.942294 Se\n0.642630 0.285261 0.057706 Se\n0.642630 0.285261 0.442294 Se\n0.357368 0.714739 0.557706 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Mn",
"Se"
],
"chemical_system": "Mn-Se-Th",
"density": 7.247469615988211,
"density_atomic": 0.041657701208223034,
"volume": 240.05165215468122,
"volume_molar": 14.456248389460475,
"formula_full": "Th2 Mn2 Se6",
"formula_reduced": "ThMnSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.2630705882758617,
"spacegroup": 63
},
{
"id": "jvasp-104947",
"created_at": "2022-09-04T14:37:14.092288Z",
"updated_at": "2022-09-04T14:37:14.092315Z",
"structure_string": "Mn2 Te1 Se1\n1.0\n3.724322 -0.003662 5.686091\n1.693684 3.316930 5.686091\n-0.005989 -0.003662 6.797217\nMn Te Se\n2 1 1\ndirect\n0.741877 0.741881 0.741880 Mn\n0.258120 0.258121 0.258121 Mn\n0.499999 0.500001 0.500001 Te\n0.000000 0.000000 0.000000 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Te",
"Se"
],
"chemical_system": "Mn-Se-Te",
"density": 6.243096397416675,
"density_atomic": 0.04752530635362708,
"volume": 84.16568575564214,
"volume_molar": 12.671440169560098,
"formula_full": "Mn2 Te1 Se1",
"formula_reduced": "Mn2TeSe",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.662778904022989,
"spacegroup": 166
},
{
"id": "jvasp-103073",
"created_at": "2022-09-04T14:37:05.582861Z",
"updated_at": "2022-09-04T14:37:05.582889Z",
"structure_string": "Mn4 Te3 Se1\n1.0\n4.093820 -0.000000 -0.000000\n-2.046909 3.545352 -0.000000\n0.000000 0.000000 12.093221\nMn Te Se\n4 3 1\ndirect\n0.000000 0.000000 0.114197 Mn\n0.000000 0.000000 0.627581 Mn\n0.000000 0.000000 0.372419 Mn\n0.000000 0.000000 0.885803 Mn\n0.666667 0.333333 0.500000 Te\n0.333333 0.666667 0.246041 Te\n0.333333 0.666667 0.753959 Te\n0.666667 0.333333 0.000000 Se\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Te",
"Se"
],
"chemical_system": "Mn-Se-Te",
"density": 6.447518930613406,
"density_atomic": 0.045578485850494045,
"volume": 175.52140775894784,
"volume_molar": 13.212682798971752,
"formula_full": "Mn4 Te3 Se1",
"formula_reduced": "Mn4Te3Se",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.0634132040229884,
"spacegroup": 187
},
{
"id": "jvasp-96040",
"created_at": "2022-09-04T14:36:07.395751Z",
"updated_at": "2022-09-04T14:36:07.395778Z",
"structure_string": "Mn8 Si4 Se16\n1.0\n6.273149 0.000000 0.000000\n-0.000000 7.757659 0.000000\n0.000000 0.000000 13.286194\nMn Si Se\n8 4 16\ndirect\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n0.492442 0.750000 0.767102 Mn\n0.992442 0.250000 0.732897 Mn\n0.507558 0.250000 0.232898 Mn\n0.007558 0.750000 0.267102 Mn\n0.593230 0.750000 0.088459 Si\n0.406770 0.250000 0.911541 Si\n0.093230 0.250000 0.411541 Si\n0.906770 0.750000 0.588459 Si\n0.747616 0.982850 0.668336 Se\n0.752385 0.982850 0.168336 Se\n0.252385 0.017151 0.331664 Se\n0.752385 0.517151 0.168336 Se\n0.252385 0.482850 0.331664 Se\n0.247616 0.017151 0.831664 Se\n0.744202 0.750000 0.928981 Se\n0.770687 0.250000 0.908357 Se\n0.255798 0.250000 0.071018 Se\n0.755798 0.750000 0.428981 Se\n0.229314 0.750000 0.091642 Se\n0.729314 0.250000 0.408357 Se\n0.747616 0.517151 0.668336 Se\n0.270687 0.750000 0.591642 Se\n0.244202 0.250000 0.571018 Se\n0.247616 0.482850 0.831664 Se\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Mn",
"Si",
"Se"
],
"chemical_system": "Mn-Se-Si",
"density": 4.661849230279727,
"density_atomic": 0.04330531013221183,
"volume": 646.5719773052205,
"volume_molar": 13.90624092429844,
"formula_full": "Mn8 Si4 Se16",
"formula_reduced": "Mn2SiSe4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.750740935632184,
"spacegroup": 62
},
{
"id": "jvasp-12037",
"created_at": "2022-09-04T14:36:08.169317Z",
"updated_at": "2022-09-04T14:36:08.169337Z",
"structure_string": "Mn2 Se2\n1.0\n3.590384 0.000000 -0.000000\n-0.000000 3.590384 -0.000000\n0.000000 0.000000 5.882410\nMn Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.000000 Mn\n0.499999 0.000000 0.733601 Se\n0.000000 0.499999 0.266399 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 5.864300793763044,
"density_atomic": 0.05275005299924299,
"volume": 75.82930769865584,
"volume_molar": 11.416369117366429,
"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7234853040229885,
"spacegroup": 129
},
{
"id": "jvasp-14266",
"created_at": "2022-09-04T14:37:02.529719Z",
"updated_at": "2022-09-04T14:37:02.529736Z",
"structure_string": "Mn2 Se2\n1.0\n1.919600 -3.324845 0.000000\n1.919600 3.324845 -0.000000\n-0.000000 0.000000 5.938135\nMn Se\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.333333 0.666667 0.750001 Se\n0.666667 0.333333 0.250000 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 5.866662729206203,
"density_atomic": 0.05277129887734323,
"volume": 75.79877859927673,
"volume_molar": 11.411772854023003,
"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7340453040229882,
"spacegroup": 194
},
{
"id": "jvasp-37183",
"created_at": "2022-09-04T14:38:02.681744Z",
"updated_at": "2022-09-04T14:38:02.681769Z",
"structure_string": "Mn2 Se2\n1.0\n1.809307 -3.133811 -0.000000\n1.809307 3.133811 0.000000\n-0.000000 -0.000000 6.582368\nMn Se\n2 2\ndirect\n0.333334 0.666668 0.510462 Mn\n0.666668 0.333334 0.010462 Mn\n0.333334 0.666668 0.865539 Se\n0.666668 0.333334 0.365538 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 5.957391079254853,
"density_atomic": 0.05358741071094668,
"volume": 74.64439775932095,
"volume_molar": 11.237976756301485,
"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.972205304022988,
"spacegroup": 186
},
{
"id": "jvasp-78266",
"created_at": "2022-09-04T14:37:14.772106Z",
"updated_at": "2022-09-04T14:37:14.772134Z",
"structure_string": "Mn1 Se1\n1.0\n-2.684918 -2.684918 -0.000000\n-2.684918 0.000000 -2.684918\n0.000000 -2.684918 -2.684918\nMn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Se\n",
"nsites": 2,
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"elements": [
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"Se"
],
"chemical_system": "Mn-Se",
"density": 5.743812553550621,
"density_atomic": 0.051666247566931174,
"volume": 38.70999141962255,
"volume_molar": 11.655850857367962,
"formula_full": "Mn1 Se1",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
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"spacegroup": 225
}
]
}