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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-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-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-35355",
"created_at": "2022-09-04T14:37:36.371833Z",
"updated_at": "2022-09-04T14:37:36.371850Z",
"structure_string": "Mg2 Si4\n1.0\n-3.917375 -0.000000 0.000000\n-1.958688 -3.269251 4.090656\n-1.958688 3.269251 4.090656\nMg Si\n2 4\ndirect\n0.416848 0.333153 0.833152 Mg\n0.583151 0.666848 0.166848 Mg\n0.853309 0.088410 0.204972 Si\n0.146690 0.911591 0.795029 Si\n0.853309 0.704973 0.588410 Si\n0.146690 0.295028 0.411591 Si\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5508158525700613,
"density_atomic": 0.05726442214694399,
"volume": 104.7770985028651,
"volume_molar": 10.516373926810648,
"formula_full": "Mg2 Si4",
"formula_reduced": "MgSi2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.8117353238095235,
"spacegroup": 74
},
{
"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-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-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-117105",
"created_at": "2022-09-04T14:38:48.594982Z",
"updated_at": "2022-09-04T14:38:48.595014Z",
"structure_string": "Mg6 Si6\n1.0\n6.066636 0.651597 0.786882\n4.432636 4.192898 0.786882\n0.248535 0.114677 10.155927\nMg Si\n6 6\ndirect\n0.071803 0.071803 0.867890 Mg\n0.928198 0.928199 0.132110 Mg\n0.496176 0.496176 0.350169 Mg\n0.503825 0.503825 0.649830 Mg\n0.215083 0.215084 0.148957 Mg\n0.784917 0.784918 0.851043 Mg\n0.215410 0.215410 0.642819 Si\n0.150288 0.150288 0.424482 Si\n0.411968 0.411968 0.942930 Si\n0.588033 0.588034 0.057070 Si\n0.784591 0.784592 0.357181 Si\n0.849713 0.849713 0.575517 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2877669277592183,
"density_atomic": 0.05259447598247732,
"volume": 228.16084343150388,
"volume_molar": 11.45013929220698,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy_above_hull": 1.0082586857142852,
"spacegroup": 12
},
{
"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-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-101459",
"created_at": "2022-09-04T14:36:46.055090Z",
"updated_at": "2022-09-04T14:36:46.055117Z",
"structure_string": "Mg6 Si1 Sn2\n1.0\n6.071263 0.006297 -5.410471\n-0.612500 4.460798 -6.771971\n0.002982 -0.006297 8.132246\nMg Si Sn\n6 1 2\ndirect\n0.237010 0.500000 0.737011 Mg\n0.917246 0.160004 0.757243 Mg\n0.597239 0.839996 0.757243 Mg\n0.762989 0.500001 0.262990 Mg\n0.402760 0.160004 0.242757 Mg\n0.082753 0.839996 0.242758 Mg\n0.000000 0.000000 0.000000 Si\n0.666222 0.666223 0.000000 Sn\n0.333778 0.333778 0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 3.103783840574302,
"density_atomic": 0.04089673968016397,
"volume": 220.06644222461685,
"volume_molar": 14.725234351433892,
"formula_full": "Mg6 Si1 Sn2",
"formula_reduced": "Mg6SiSn2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 0.0,
"spacegroup": 71
}
]
}