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{
"id": "jvasp-107749",
"created_at": "2022-09-04T14:36:07.290809Z",
"updated_at": "2022-09-04T14:36:07.290843Z",
"structure_string": "Mn3 Si1\n1.0\n2.774508 0.000000 0.000000\n0.000000 2.774508 0.000000\n0.000000 -0.000000 5.662624\nMn Si\n3 1\ndirect\n0.000000 0.000000 0.748025 Mn\n0.000000 0.000000 0.251974 Mn\n0.500000 0.500000 -0.000000 Mn\n0.500000 0.500000 0.500000 Si\n",
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"volume": 43.59028294962302,
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"formula_full": "Mn3 Si1",
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},
{
"id": "jvasp-92166",
"created_at": "2022-09-04T14:36:04.448568Z",
"updated_at": "2022-09-04T14:36:04.448591Z",
"structure_string": "Mn4 Si4\n1.0\n4.535093 0.000000 -0.000000\n-0.000000 4.535093 0.000000\n0.000000 -0.000000 4.535093\nMn Si\n4 4\ndirect\n0.364208 0.864207 0.635792 Mn\n0.864207 0.635792 0.364208 Mn\n0.635792 0.364208 0.864207 Mn\n0.135792 0.135792 0.135792 Mn\n0.655404 0.155405 0.344595 Si\n0.155405 0.344595 0.655404 Si\n0.344595 0.655404 0.155405 Si\n0.844595 0.844595 0.844595 Si\n",
"nsites": 8,
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"elements": [
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"density": 5.912236110717026,
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"volume": 93.27356846944544,
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},
{
"id": "jvasp-17632",
"created_at": "2022-09-04T14:38:20.397426Z",
"updated_at": "2022-09-04T14:38:20.397447Z",
"structure_string": "Mn3 Si1\n1.0\n3.455290 -0.000000 1.994913\n1.151763 3.257679 1.994913\n-0.000000 -0.000000 3.989825\nMn Si\n3 1\ndirect\n0.250000 0.250000 0.250000 Mn\n0.749999 0.750000 0.750000 Mn\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mn-Si",
"density": 7.132369999002349,
"density_atomic": 0.08906628797143455,
"volume": 44.91037059142832,
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"formula_full": "Mn3 Si1",
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"spacegroup": 225
},
{
"id": "jvasp-19710",
"created_at": "2022-09-04T14:38:27.081223Z",
"updated_at": "2022-09-04T14:38:27.081254Z",
"structure_string": "Mn4 Si4\n1.0\n4.535196 -0.000000 -0.000000\n-0.000000 4.535196 -0.000000\n-0.000000 -0.000000 4.535196\nMn Si\n4 4\ndirect\n0.864210 0.635791 0.364210 Mn\n0.635791 0.364210 0.864210 Mn\n0.364210 0.864210 0.635791 Mn\n0.135790 0.135790 0.135790 Mn\n0.155402 0.344598 0.655402 Si\n0.344598 0.655402 0.155402 Si\n0.655402 0.155402 0.344598 Si\n0.844599 0.844599 0.844599 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
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],
"chemical_system": "Mn-Si",
"density": 5.911833296931741,
"density_atomic": 0.08576336333525887,
"volume": 93.27992383795721,
"volume_molar": 7.021810392928223,
"formula_full": "Mn4 Si4",
"formula_reduced": "MnSi",
"formula_anonymous": "AB",
"energy_above_hull": 2.286502920689655,
"spacegroup": 198
},
{
"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",
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"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",
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"spacegroup": 186
},
{
"id": "jvasp-78835",
"created_at": "2022-09-04T14:37:17.625562Z",
"updated_at": "2022-09-04T14:37:17.625581Z",
"structure_string": "Mn2 Se2\n1.0\n-2.089090 -3.618483 0.000000\n-2.089090 3.618483 0.000000\n0.000000 0.000000 -6.789065\nMn Se\n2 2\ndirect\n0.333337 0.666663 0.500440 Mn\n0.666663 0.333337 0.000440 Mn\n0.333333 0.666667 0.123560 Se\n0.666667 0.333333 0.623561 Se\n",
"nsites": 4,
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"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 4.3324113008676415,
"density_atomic": 0.03897053268112455,
"volume": 102.64165575384622,
"volume_molar": 15.453062469728147,
"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.752675304022988,
"spacegroup": 186
},
{
"id": "jvasp-19923",
"created_at": "2022-09-04T14:35:50.345614Z",
"updated_at": "2022-09-04T14:35:50.345649Z",
"structure_string": "Mn1 Se1\n1.0\n3.288222 -0.000000 1.898456\n1.096074 3.100166 1.898456\n0.000000 0.000000 3.796912\nMn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500001 0.500001 Se\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Se"
],
"chemical_system": "Mn-Se",
"density": 5.744427097026063,
"density_atomic": 0.051671775455428025,
"volume": 38.7058501933071,
"volume_molar": 11.654603904978428,
"formula_full": "Mn1 Se1",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy_above_hull": 1.7380903040229885,
"spacegroup": 225
},
{
"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": [
"Mn",
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],
"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",
"energy_above_hull": 1.7380653040229883,
"spacegroup": 225
},
{
"id": "jvasp-15928",
"created_at": "2022-09-04T14:37:06.078259Z",
"updated_at": "2022-09-04T14:37:06.078281Z",
"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,
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"elements": [
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"volume": 75.79877859927673,
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"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
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"spacegroup": 194
},
{
"id": "jvasp-7996",
"created_at": "2022-09-04T14:37:07.463722Z",
"updated_at": "2022-09-04T14:37:07.463744Z",
"structure_string": "Mn1 Se1\n1.0\n3.251243 0.000000 1.877106\n1.083748 3.065302 1.877106\n0.000000 0.000000 3.754213\nMn Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Se\n",
"nsites": 2,
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"elements": [
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"volume": 37.41464319750484,
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"formula_full": "Mn1 Se1",
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"spacegroup": 216
}
]
}