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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4090",
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"results": [
{
"id": "jvasp-94350",
"created_at": "2022-09-04T14:36:19.441192Z",
"updated_at": "2022-09-04T14:36:19.441217Z",
"structure_string": "Mg4 Sn2\n1.0\n3.371631 0.000000 -0.000000\n-1.685815 2.919918 0.000000\n0.000000 0.000000 14.801810\nMg Sn\n4 2\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.832007 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.167993 Mg\n0.666667 0.333333 0.664681 Sn\n0.666667 0.333333 0.335319 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.8133040111543095,
"density_atomic": 0.041174253269985334,
"volume": 145.7221327283621,
"volume_molar": 14.62598658562666,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2277865952380952,
"spacegroup": 187
},
{
"id": "jvasp-94404",
"created_at": "2022-09-04T14:36:10.693436Z",
"updated_at": "2022-09-04T14:36:10.693453Z",
"structure_string": "Mg4 Sn2\n1.0\n5.773721 -0.000000 -0.000000\n-2.886861 5.000190 -0.000000\n0.000000 0.000000 4.965222\nMg Sn\n4 2\ndirect\n0.668420 0.000000 0.500000 Mg\n0.000000 0.668420 0.500000 Mg\n0.331580 0.331580 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Sn\n0.666667 0.333333 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Sn",
"density": 3.8765552397682623,
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"volume": 143.3444795385509,
"volume_molar": 14.387343882501554,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2182399285714286,
"spacegroup": 189
},
{
"id": "jvasp-94349",
"created_at": "2022-09-04T14:36:16.740913Z",
"updated_at": "2022-09-04T14:36:16.740934Z",
"structure_string": "Mg4 Sn2\n1.0\n3.363762 0.000000 0.000000\n-1.681881 2.913103 -0.000000\n0.000000 0.000000 14.767197\nMg Sn\n4 2\ndirect\n0.333333 0.666666 0.916835 Mg\n0.333333 0.666666 0.583166 Mg\n0.666667 0.333333 0.416835 Mg\n0.666667 0.333333 0.083166 Mg\n0.666667 0.333333 0.750000 Sn\n0.333333 0.666666 0.250000 Sn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 3.840146385718658,
"density_atomic": 0.04146408453585017,
"volume": 144.70354445694693,
"volume_molar": 14.523751886510869,
"formula_full": "Mg4 Sn2",
"formula_reduced": "Mg2Sn",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2260165952380953,
"spacegroup": 194
},
{
"id": "jvasp-79660",
"created_at": "2022-09-04T14:37:14.289158Z",
"updated_at": "2022-09-04T14:37:14.289167Z",
"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4496130481215372,
"density_atomic": 0.056315227334797324,
"volume": 71.0287463854095,
"volume_molar": 10.693627718481933,
"formula_full": "Mg2 Si2",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0483286857142853,
"spacegroup": 123
},
{
"id": "jvasp-34998",
"created_at": "2022-09-04T14:37:29.055139Z",
"updated_at": "2022-09-04T14:37:29.055164Z",
"structure_string": "Mg4 Si2\n1.0\n2.312275 -4.004978 -0.000000\n2.312275 4.004978 -0.000000\n0.000000 0.000000 6.115698\nMg Si\n4 2\ndirect\n0.666668 0.333334 0.250000 Mg\n0.333334 0.666668 0.750000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.750000 Si\n0.333334 0.666668 0.250000 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.248709376428315,
"density_atomic": 0.05297068692894491,
"volume": 113.27019428780343,
"volume_molar": 11.368817565228337,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7290453809523808,
"spacegroup": 194
},
{
"id": "jvasp-79150",
"created_at": "2022-09-04T14:37:56.902722Z",
"updated_at": "2022-09-04T14:37:56.902739Z",
"structure_string": "Mg3 Si1\n1.0\n6.068368 -0.178391 0.000000\n-1.594337 2.761474 0.000000\n0.000000 0.000000 4.860347\nMg Si\n3 1\ndirect\n0.672758 0.672757 0.250000 Mg\n0.323598 0.323598 0.750000 Mg\n0.837919 0.337919 0.750000 Mg\n0.165725 0.665725 0.250000 Si\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.094723535590276,
"density_atomic": 0.04995903976304628,
"volume": 80.0655901108556,
"volume_molar": 12.05415634200091,
"formula_full": "Mg3 Si1",
"formula_reduced": "Mg3Si",
"formula_anonymous": "AB3",
"energy_above_hull": 0.5134887285714285,
"spacegroup": 25
},
{
"id": "jvasp-111603",
"created_at": "2022-09-04T14:38:37.094854Z",
"updated_at": "2022-09-04T14:38:37.094876Z",
"structure_string": "Mg8 Si4\n1.0\n4.204488 -0.000000 0.000000\n-0.000000 7.053916 0.000000\n0.000000 0.000000 8.040913\nMg Si\n8 4\ndirect\n0.250000 0.032577 0.836075 Mg\n0.250000 0.532578 0.663925 Mg\n0.750000 0.967423 0.163925 Mg\n0.750000 0.467423 0.336075 Mg\n0.250000 0.139019 0.439146 Mg\n0.250000 0.639019 0.060854 Mg\n0.750000 0.860981 0.560853 Mg\n0.750000 0.360981 0.939146 Mg\n0.250000 0.253301 0.125792 Si\n0.250000 0.753301 0.374208 Si\n0.750000 0.746700 0.874208 Si\n0.750000 0.246700 0.625791 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.136142436076543,
"density_atomic": 0.05031905563393349,
"volume": 238.47824345708906,
"volume_molar": 11.967912919134495,
"formula_full": "Mg8 Si4",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6879487142857141,
"spacegroup": 62
},
{
"id": "jvasp-97624",
"created_at": "2022-09-04T14:35:48.758808Z",
"updated_at": "2022-09-04T14:35:48.758827Z",
"structure_string": "Mg18 Si10\n1.0\n7.146364 0.000000 -0.000000\n-3.573182 6.188933 -0.000000\n0.000000 0.000000 12.284887\nMg Si\n18 10\ndirect\n0.321800 0.916849 0.583549 Mg\n0.275236 0.928535 0.250000 Mg\n0.724764 0.071465 0.750000 Mg\n0.928535 0.653299 0.750000 Mg\n0.653299 0.724764 0.250000 Mg\n0.595049 0.678200 0.916452 Mg\n0.916849 0.595049 0.416452 Mg\n0.678200 0.083151 0.416452 Mg\n0.321800 0.916849 0.916452 Mg\n0.083151 0.404950 0.916452 Mg\n0.404950 0.321800 0.416452 Mg\n0.404950 0.321800 0.083548 Mg\n0.083151 0.404950 0.583549 Mg\n0.346700 0.275236 0.750000 Mg\n0.678200 0.083151 0.083548 Mg\n0.916849 0.595049 0.083548 Mg\n0.595049 0.678200 0.583549 Mg\n0.071465 0.346700 0.250000 Mg\n0.333333 0.666667 0.412771 Si\n0.666667 0.333333 0.912772 Si\n0.666667 0.333333 0.587229 Si\n0.333333 0.666667 0.087229 Si\n0.333333 0.666667 0.750000 Si\n0.666667 0.333333 0.250000 Si\n0.000000 0.000000 0.102145 Si\n0.000000 0.000000 0.602145 Si\n0.000000 0.000000 0.897856 Si\n0.000000 0.000000 0.397856 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.1953819553805105,
"density_atomic": 0.051533062321219104,
"volume": 543.3405029468005,
"volume_molar": 11.685974961981527,
"formula_full": "Mg18 Si10",
"formula_reduced": "Mg9Si5",
"formula_anonymous": "A5B9",
"energy_above_hull": 0.9932065673469388,
"spacegroup": 176
},
{
"id": "jvasp-112388",
"created_at": "2022-09-04T14:38:39.661694Z",
"updated_at": "2022-09-04T14:38:39.661719Z",
"structure_string": "Mg8 Si6\n1.0\n5.627553 0.136823 -1.475139\n-0.833267 7.688746 -4.060503\n0.013172 0.269036 6.373993\nMg Si\n8 6\ndirect\n0.295792 0.734703 0.573669 Mg\n0.116914 0.167337 0.874179 Mg\n0.304963 0.690296 0.044010 Mg\n0.353155 0.396873 0.566521 Mg\n0.840751 0.530231 0.546279 Mg\n0.621034 0.110064 -0.000157 Mg\n0.808431 0.487479 0.039315 Mg\n0.787503 0.850970 0.421995 Mg\n-0.030676 0.187484 0.416283 Si\n0.680785 0.187398 0.629423 Si\n0.703433 0.757590 0.927595 Si\n0.407029 0.440875 0.183684 Si\n0.311485 0.004063 0.469128 Si\n0.049354 0.954550 0.058144 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.128603123254994,
"density_atomic": 0.04944509809475585,
"volume": 283.1423243042335,
"volume_molar": 12.179449514811878,
"formula_full": "Mg8 Si6",
"formula_reduced": "Mg4Si3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.2467558408163262,
"spacegroup": 1
},
{
"id": "jvasp-91892",
"created_at": "2022-09-04T14:37:40.677322Z",
"updated_at": "2022-09-04T14:37:40.677336Z",
"structure_string": "Mg7 Si1\n1.0\n6.227290 0.000000 -0.000000\n-3.113645 5.392991 0.000000\n0.000000 -0.000000 5.065663\nMg Si\n7 1\ndirect\n0.165304 0.832651 0.250000 Mg\n0.667348 0.334695 0.250000 Mg\n0.667348 0.832651 0.250000 Mg\n0.330694 0.169306 0.750000 Mg\n0.330693 0.661388 0.750000 Mg\n0.838612 0.169306 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Si\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.934784430452285,
"density_atomic": 0.047024577919908855,
"volume": 170.1238023576822,
"volume_molar": 12.806368555304777,
"formula_full": "Mg7 Si1",
"formula_reduced": "Mg7Si",
"formula_anonymous": "AB7",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-56565",
"created_at": "2022-09-04T14:38:13.472735Z",
"updated_at": "2022-09-04T14:38:13.472750Z",
"structure_string": "Mg4 Si2\n1.0\n4.861398 0.000000 2.806729\n1.620467 4.583370 2.806729\n0.000000 0.000000 5.613457\nMg Si\n4 2\ndirect\n0.500000 -0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500001 0.500000 0.500000 Mg\n0.500001 0.500000 -0.000000 Mg\n0.875001 0.875000 0.875000 Si\n0.125000 0.125000 0.125000 Si\n",
"nsites": 6,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.0364440386990297,
"density_atomic": 0.04797055624572446,
"volume": 125.07672350651073,
"volume_molar": 12.55382724593014,
"formula_full": "Mg4 Si2",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8627620476190475,
"spacegroup": 227
},
{
"id": "jvasp-101377",
"created_at": "2022-09-04T14:37:04.380828Z",
"updated_at": "2022-09-04T14:37:04.380854Z",
"structure_string": "Mg2 Si4\n1.0\n4.267557 0.091143 1.844827\n1.776016 4.769269 1.515712\n0.221155 -0.261595 5.366236\nMg Si\n2 4\ndirect\n0.269684 0.158340 0.302171 Mg\n0.730319 0.841661 0.697829 Mg\n0.948522 0.234730 0.868097 Si\n0.590426 0.568376 0.250831 Si\n0.051480 0.765271 0.131903 Si\n0.409576 0.431625 0.749169 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
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"density": 2.4915183715693705,
"density_atomic": 0.05593322609809839,
"volume": 107.27076584992452,
"volume_molar": 10.766660856354108,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8181353238095237,
"spacegroup": 12
}
]
}