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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4091",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-elements&page=4089",
"results": [
{
"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-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-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-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-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-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-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-120339",
"created_at": "2022-09-04T14:38:53.734270Z",
"updated_at": "2022-09-04T14:38:53.734287Z",
"structure_string": "Mg1 Se2\n1.0\n4.164604 0.000000 0.009426\n0.000000 3.793853 0.000000\n-0.014372 0.000000 5.524954\nMg Se\n1 2\ndirect\n0.466672 0.000000 0.133322 Mg\n-0.033424 0.000000 -0.137479 Se\n-0.033248 0.000000 0.404157 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 3.4663436948092023,
"density_atomic": 0.034366540803775644,
"volume": 87.29420913001545,
"volume_molar": 17.52326716379434,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.7578444555555555,
"spacegroup": 47
},
{
"id": "jvasp-123679",
"created_at": "2022-09-04T14:38:52.730505Z",
"updated_at": "2022-09-04T14:38:52.730531Z",
"structure_string": "Mg1 Se2\n1.0\n1.793342 -3.568046 -0.785312\n2.193349 3.798990 -0.000000\n-0.877633 0.506701 5.331486\nMg Se\n1 2\ndirect\n0.000000 0.333348 0.166667 Mg\n0.877341 0.771996 0.421616 Se\n0.122662 -0.105343 0.911719 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 4.058595677923711,
"density_atomic": 0.0402383336021358,
"volume": 74.55577136128629,
"volume_molar": 14.966178320268096,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": null,
"spacegroup": 12
},
{
"id": "jvasp-120336",
"created_at": "2022-09-04T14:38:53.545050Z",
"updated_at": "2022-09-04T14:38:53.545077Z",
"structure_string": "Mg1 Se2\n1.0\n4.909632 0.000000 0.000000\n-2.454816 4.251866 -0.000000\n-0.000000 -0.000000 3.892519\nMg Se\n1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.333333 0.666667 0.000000 Se\n0.666666 0.333333 0.000000 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 3.723898243870795,
"density_atomic": 0.03692002646440932,
"volume": 81.25671315246704,
"volume_molar": 16.31131214330333,
"formula_full": "Mg1 Se2",
"formula_reduced": "MgSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.8534977888888888,
"spacegroup": 191
},
{
"id": "jvasp-120341",
"created_at": "2022-09-04T14:38:53.778302Z",
"updated_at": "2022-09-04T14:38:53.778326Z",
"structure_string": "Mg2 Se1\n1.0\n3.667543 0.728190 0.563056\n1.061696 -5.541681 0.226224\n-1.326598 -0.393408 -3.533718\nMg Se\n2 1\ndirect\n0.696521 0.425696 0.378120 Mg\n0.360913 0.857544 0.706380 Mg\n0.028710 0.141590 0.042111 Se\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mg",
"Se"
],
"chemical_system": "Mg-Se",
"density": 3.0139064194390675,
"density_atomic": 0.04268284557874573,
"volume": 70.28584808070703,
"volume_molar": 14.109042352599785,
"formula_full": "Mg2 Se1",
"formula_reduced": "Mg2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0854200000000001,
"spacegroup": 164
}
]
}