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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=elements&page=584",
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"results": [
{
"id": "jvasp-1348",
"created_at": "2022-09-04T14:35:51.104129Z",
"updated_at": "2022-09-04T14:35:51.104162Z",
"structure_string": "Mn2 S2\n1.0\n3.053088 0.000000 1.762700\n1.017696 2.878478 1.762700\n-1.019363 -2.879657 5.290991\nMn S\n2 2\ndirect\n0.000055 -0.000027 -0.000082 Mn\n0.000058 0.499971 0.499914 Mn\n0.249945 0.375027 0.125083 S\n0.249945 0.875028 0.625085 S\n",
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"elements": [
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"density": 4.660215445706737,
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"volume": 62.002264409794094,
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"formula_full": "Mn2 S2",
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},
{
"id": "jvasp-8304",
"created_at": "2022-09-04T14:37:00.588398Z",
"updated_at": "2022-09-04T14:37:00.588423Z",
"structure_string": "Mn1 S2\n1.0\n6.422746 -0.426791 -0.252780\n5.781336 2.830189 -0.252780\n5.781337 1.138542 2.603380\nMn S\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.594356 0.594356 0.594356 S\n0.405645 0.405645 0.405645 S\n",
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"elements": [
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"volume": 58.691168500687,
"volume_molar": 11.781549269333842,
"formula_full": "Mn1 S2",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
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"spacegroup": 166
},
{
"id": "jvasp-16914",
"created_at": "2022-09-04T14:36:54.504191Z",
"updated_at": "2022-09-04T14:36:54.504217Z",
"structure_string": "Mn2 S4\n1.0\n4.646769 -0.000000 -2.113400\n-0.961196 4.546268 -2.113401\n-0.086563 -0.106779 5.974837\nMn S\n2 4\ndirect\n0.250000 0.750000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.895489 0.875000 0.250000 S\n0.625000 0.104510 0.750000 S\n0.354510 0.375000 0.250000 S\n0.125000 0.645490 0.750000 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Mn-S",
"density": 3.1858022013661493,
"density_atomic": 0.04833878635558733,
"volume": 124.12392723025985,
"volume_molar": 12.458196024410361,
"formula_full": "Mn2 S4",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.2602724137931034,
"spacegroup": 122
},
{
"id": "jvasp-38347",
"created_at": "2022-09-04T14:37:53.288468Z",
"updated_at": "2022-09-04T14:37:53.288486Z",
"structure_string": "Mn3 S1\n1.0\n3.572548 -0.000000 -0.000000\n-0.000000 3.572548 -0.000000\n0.000000 -0.000000 3.572548\nMn S\n3 1\ndirect\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.500000 0.500000 0.000000 Mn\n0.000000 0.000000 0.000000 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"S"
],
"chemical_system": "Mn-S",
"density": 7.169924330999494,
"density_atomic": 0.08772548411440202,
"volume": 45.59678456471823,
"volume_molar": 6.864756371303212,
"formula_full": "Mn3 S1",
"formula_reduced": "Mn3S",
"formula_anonymous": "AB3",
"energy_above_hull": 3.6915229310344815,
"spacegroup": 221
},
{
"id": "jvasp-78654",
"created_at": "2022-09-04T14:37:11.812075Z",
"updated_at": "2022-09-04T14:37:11.812098Z",
"structure_string": "Mn2 S2\n1.0\n3.477304 -0.000000 2.007622\n1.159101 3.278433 2.007622\n-0.000000 -0.000000 4.015245\nMn S\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.499999 0.500000 Mn\n0.250000 0.250000 0.250000 S\n0.749999 0.749999 0.749999 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 6.3123711040136365,
"density_atomic": 0.08738541813304017,
"volume": 45.774227387802725,
"volume_molar": 6.891471012739879,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy_above_hull": 2.043983620689655,
"spacegroup": 221
},
{
"id": "jvasp-78724",
"created_at": "2022-09-04T14:37:12.715636Z",
"updated_at": "2022-09-04T14:37:12.715671Z",
"structure_string": "Mn2 S2\n1.0\n3.052454 0.000000 1.762334\n1.017485 2.877881 1.762334\n-1.019221 -2.879109 5.290013\nMn S\n2 2\ndirect\n0.000055 -0.000026 -0.000081 Mn\n0.000056 0.499971 0.499915 Mn\n0.249943 0.375027 0.125083 S\n0.249943 0.875027 0.625083 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 4.662999064476875,
"density_atomic": 0.06455230788699944,
"volume": 61.965251606528284,
"volume_molar": 9.329086685083237,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy_above_hull": 1.8662036206896555,
"spacegroup": 216
},
{
"id": "jvasp-57650",
"created_at": "2022-09-04T14:38:31.172454Z",
"updated_at": "2022-09-04T14:38:31.172466Z",
"structure_string": "Mn4 S8\n1.0\n5.521046 -0.000000 0.000000\n-0.000000 5.521045 0.000000\n0.000000 0.000000 5.521080\nMn S\n4 8\ndirect\n0.500000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.621303 0.621286 0.621284 S\n0.378698 0.121285 0.878716 S\n0.378698 0.378715 0.378716 S\n0.121302 0.621286 0.878716 S\n0.121302 0.878716 0.378716 S\n0.878698 0.121285 0.621284 S\n0.878698 0.378715 0.121284 S\n0.621303 0.878716 0.121284 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"S"
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"density": 4.699348131728879,
"density_atomic": 0.07130410835071892,
"volume": 168.29324813903253,
"volume_molar": 8.445713577090517,
"formula_full": "Mn4 S8",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.22047908045977,
"spacegroup": 205
},
{
"id": "jvasp-14938",
"created_at": "2022-09-04T14:36:12.846811Z",
"updated_at": "2022-09-04T14:36:12.846829Z",
"structure_string": "Mn2 S2\n1.0\n1.990689 -3.447975 -0.000000\n1.990689 3.447975 0.000000\n0.000000 0.000000 6.443868\nMn S\n2 2\ndirect\n0.333334 0.666667 0.001530 Mn\n0.666667 0.333334 0.501530 Mn\n0.666667 0.333334 0.123460 S\n0.333334 0.666667 0.623460 S\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"S"
],
"chemical_system": "Mn-S",
"density": 3.266400171453316,
"density_atomic": 0.04521846704969414,
"volume": 88.45943396542134,
"volume_molar": 13.317879072242308,
"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy_above_hull": 1.818783620689655,
"spacegroup": 186
},
{
"id": "jvasp-39450",
"created_at": "2022-09-04T14:38:03.187058Z",
"updated_at": "2022-09-04T14:38:03.187083Z",
"structure_string": "Mn4 S6\n1.0\n5.747745 -0.000562 -0.000377\n-2.873376 4.977885 0.000135\n-2.873572 -1.658969 5.292049\nMn S\n4 6\ndirect\n0.684667 0.342333 0.027008 Mn\n0.315334 0.157672 0.472992 Mn\n0.684664 0.842328 0.527009 Mn\n0.315329 0.657666 0.972989 Mn\n0.500005 0.070265 0.250007 S\n0.179739 0.429736 0.249992 S\n0.820251 0.749994 0.250002 S\n0.179747 0.250005 0.749997 S\n0.820257 0.570263 0.750007 S\n0.499994 0.929737 0.749992 S\n",
"nsites": 10,
"nelements": 2,
"elements": [
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"density": 4.520343063214323,
"density_atomic": 0.06605036693786989,
"volume": 151.39961310747105,
"volume_molar": 9.117497811427318,
"formula_full": "Mn4 S6",
"formula_reduced": "Mn2S3",
"formula_anonymous": "A2B3",
"energy_above_hull": 2.892038896551724,
"spacegroup": 167
},
{
"id": "jvasp-78723",
"created_at": "2022-09-04T14:36:38.971002Z",
"updated_at": "2022-09-04T14:36:38.971022Z",
"structure_string": "Mn2 S2\n1.0\n1.037982 2.935857 1.797838\n-4.151919 -2.935849 3.595657\n3.113947 0.000000 1.797838\nMn S\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500001 0.500000 0.500000 Mn\n0.750000 0.250000 0.750000 S\n0.250001 0.750001 0.250001 S\n",
"nsites": 4,
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"elements": [
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"density": 4.394996945024763,
"density_atomic": 0.06084221592900717,
"volume": 65.7438250550792,
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"formula_full": "Mn2 S2",
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"formula_anonymous": "AB",
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"spacegroup": 225
},
{
"id": "jvasp-78725",
"created_at": "2022-09-04T14:36:39.832201Z",
"updated_at": "2022-09-04T14:36:39.832220Z",
"structure_string": "Mn2 S2\n1.0\n1.228015 3.473333 2.126966\n0.000014 -0.000004 4.253930\n3.684019 0.000003 2.126976\nMn S\n2 2\ndirect\n0.999997 0.000026 0.999964 Mn\n0.500015 0.499987 0.500006 Mn\n0.749996 0.750009 0.749997 S\n0.249988 0.249985 0.250029 S\n",
"nsites": 4,
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"elements": [
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"density": 5.308303020057366,
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"volume": 54.432444639943135,
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"formula_full": "Mn2 S2",
"formula_reduced": "MnS",
"formula_anonymous": "AB",
"energy_above_hull": 1.9962236206896555,
"spacegroup": 221
},
{
"id": "jvasp-35005",
"created_at": "2022-09-04T14:37:30.081710Z",
"updated_at": "2022-09-04T14:37:30.081746Z",
"structure_string": "Mn2 S4\n1.0\n3.267243 0.000000 0.000000\n0.000000 4.701729 -0.000000\n0.000000 0.000000 5.574762\nMn S\n2 4\ndirect\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499999 0.699801 0.132310 S\n0.499999 0.300199 0.867689 S\n0.000000 0.199801 0.367689 S\n0.000000 0.800199 0.632310 S\n",
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"elements": [
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"density": 4.6175218093050105,
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"volume": 85.6377721520477,
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"formula_full": "Mn2 S4",
"formula_reduced": "MnS2",
"formula_anonymous": "AB2",
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"spacegroup": 58
}
]
}