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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3869",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=chemical_system&page=3867",
"results": [
{
"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-98811",
"created_at": "2022-09-04T14:35:51.481309Z",
"updated_at": "2022-09-04T14:35:51.481326Z",
"structure_string": "Mg10 Si12\n1.0\n14.240157 0.000000 -5.311450\n0.000000 4.070807 0.000000\n-0.001853 0.000000 6.938149\nMg Si\n10 12\ndirect\n0.000000 0.000000 -0.000001 Mg\n0.500000 0.500000 0.000001 Mg\n0.344807 0.000000 0.064611 Mg\n0.655194 0.000000 0.935391 Mg\n0.844806 0.500000 0.064609 Mg\n0.155194 0.500000 0.935389 Mg\n0.424465 0.000000 0.631857 Mg\n0.575536 0.000000 0.368146 Mg\n0.924465 0.500000 0.631855 Mg\n0.075535 0.500000 0.368143 Mg\n0.792436 0.000000 0.368527 Si\n0.207565 0.000000 0.631472 Si\n0.308207 0.500000 0.742675 Si\n0.691794 0.500000 0.257326 Si\n0.808207 0.000000 0.742675 Si\n0.057773 0.000000 0.671225 Si\n0.442227 0.500000 0.328775 Si\n0.557773 0.500000 0.671227 Si\n0.942227 0.000000 0.328774 Si\n0.707565 0.500000 0.631474 Si\n0.191794 0.000000 0.257325 Si\n0.292436 0.500000 0.368528 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.395181052056545,
"density_atomic": 0.05470500138178264,
"volume": 402.1570138800186,
"volume_molar": 11.008391569121573,
"formula_full": "Mg10 Si12",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy_above_hull": 1.814884132467532,
"spacegroup": 12
},
{
"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-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-1076",
"created_at": "2022-09-04T14:36:37.282662Z",
"updated_at": "2022-09-04T14:36:37.282681Z",
"structure_string": "Mg2 Si1\n1.0\n3.891768 0.000000 2.246913\n1.297256 3.669194 2.246913\n0.000000 0.000000 4.493827\nMg Si\n2 1\ndirect\n0.750002 0.749999 0.749999 Mg\n0.250001 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Si\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 1.98465495992863,
"density_atomic": 0.04675061065976236,
"volume": 64.17028478693351,
"volume_molar": 12.881416253206673,
"formula_full": "Mg2 Si1",
"formula_reduced": "Mg2Si",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6616387142857141,
"spacegroup": 225
},
{
"id": "jvasp-99668",
"created_at": "2022-09-04T14:36:32.796401Z",
"updated_at": "2022-09-04T14:36:32.796420Z",
"structure_string": "Mg3 Si2\n1.0\n4.833251 0.003889 1.922640\n-1.476369 4.602246 1.922640\n-0.040061 -0.054970 4.338031\nMg Si\n3 2\ndirect\n0.706680 0.293320 0.500000 Mg\n0.293320 0.706681 0.499999 Mg\n0.000000 0.000000 0.000000 Mg\n0.705966 0.705967 0.768443 Si\n0.294034 0.294034 0.231556 Si\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.19757790456115,
"density_atomic": 0.051260878317193656,
"volume": 97.54027172653664,
"volume_molar": 11.748024922117038,
"formula_full": "Mg3 Si2",
"formula_reduced": "Mg3Si2",
"formula_anonymous": "A2B3",
"energy_above_hull": 1.0633907028571428,
"spacegroup": 12
},
{
"id": "jvasp-96772",
"created_at": "2022-09-04T14:36:36.539526Z",
"updated_at": "2022-09-04T14:36:36.539549Z",
"structure_string": "Mg5 Si6\n1.0\n3.533680 0.000000 -0.888442\n-0.240132 6.831811 -0.955097\n0.267861 0.600019 8.537012\nMg Si\n5 6\ndirect\n0.500000 -0.000000 0.000000 Mg\n0.670304 0.980205 0.340607 Mg\n0.329696 0.019795 0.659392 Mg\n0.580984 0.414594 0.161968 Mg\n0.419016 0.585406 0.838032 Mg\n0.940626 0.256155 0.881252 Si\n0.059374 0.743845 0.118747 Si\n0.791587 0.717285 0.583173 Si\n0.208414 0.282715 0.416827 Si\n0.805541 0.353675 0.611082 Si\n0.194459 0.646325 0.388918 Si\n",
"nsites": 11,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.294795995385193,
"density_atomic": 0.05241224582612163,
"volume": 209.87461664002447,
"volume_molar": 11.489949848702414,
"formula_full": "Mg5 Si6",
"formula_reduced": "Mg5Si6",
"formula_anonymous": "A5B6",
"energy_above_hull": 1.821667768831168,
"spacegroup": 12
},
{
"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-107395",
"created_at": "2022-09-04T14:38:44.952550Z",
"updated_at": "2022-09-04T14:38:44.952578Z",
"structure_string": "Mg2 Si4\n1.0\n4.629184 0.031471 2.936454\n3.152297 3.390186 2.936454\n-0.038647 -0.016994 6.957479\nMg Si\n2 4\ndirect\n0.576607 0.576609 0.635834 Mg\n0.423391 0.423393 0.364165 Mg\n0.196520 0.196521 0.263131 Si\n0.803478 0.803481 0.736868 Si\n0.128961 0.128964 0.957485 Si\n0.871036 0.871038 0.042514 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.4530293292065384,
"density_atomic": 0.055069168127125645,
"volume": 108.95388842898747,
"volume_molar": 10.935594207811631,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7959219904761898,
"spacegroup": 12
},
{
"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"
],
"chemical_system": "Mg-Si",
"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
},
{
"id": "jvasp-100303",
"created_at": "2022-09-04T14:36:37.316770Z",
"updated_at": "2022-09-04T14:36:37.316781Z",
"structure_string": "Sm4 Mg2 Si4\n1.0\n7.291902 0.000000 -0.000000\n0.000000 7.291902 0.000000\n0.000000 0.000000 4.316648\nSm Mg Si\n4 2 4\ndirect\n0.679384 0.179384 0.500000 Sm\n0.320616 0.820616 0.500000 Sm\n0.179384 0.320616 0.500000 Sm\n0.820616 0.679384 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.117100 0.617100 0.000000 Si\n0.882900 0.382900 0.000000 Si\n0.617100 0.882900 0.000000 Si\n0.382900 0.117100 0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sm",
"density": 5.515681062614238,
"density_atomic": 0.04356841068349107,
"volume": 229.52409424907475,
"volume_molar": 13.822264033794347,
"formula_full": "Sm4 Mg2 Si4",
"formula_reduced": "Sm2MgSi2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.6657107999999994,
"spacegroup": 127
},
{
"id": "jvasp-109388",
"created_at": "2022-09-04T14:38:19.369313Z",
"updated_at": "2022-09-04T14:38:19.369329Z",
"structure_string": "Mg4 Si1 Sn1\n1.0\n4.445436 0.006255 6.678727\n2.024129 3.957884 6.678727\n0.010208 0.006255 8.022917\nMg Si Sn\n4 1 1\ndirect\n0.620936 0.620932 0.620935 Mg\n0.128434 0.128433 0.128434 Mg\n0.871569 0.871563 0.871568 Mg\n0.379067 0.379065 0.379067 Mg\n0.500002 0.499998 0.500001 Si\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 2.88012814247923,
"density_atomic": 0.04264779184971732,
"volume": 140.68723701200884,
"volume_molar": 14.120639073696651,
"formula_full": "Mg4 Si1 Sn1",
"formula_reduced": "Mg4SiSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1190938916666664,
"spacegroup": 166
}
]
}