HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=844",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=842",
"results": [
{
"id": "jvasp-91958",
"created_at": "2022-09-04T14:36:09.063798Z",
"updated_at": "2022-09-04T14:36:09.063815Z",
"structure_string": "Mg6 V1 W1\n1.0\n6.147817 0.216090 0.000000\n-2.886769 5.000031 0.000000\n0.000000 0.000000 4.905089\nMg V W\n6 1 1\ndirect\n0.652567 0.326414 0.250000 Mg\n0.652566 0.826151 0.250000 Mg\n0.330214 0.159297 0.750000 Mg\n0.330214 0.670917 0.750000 Mg\n0.863180 0.181591 0.750000 Mg\n0.864033 0.682017 0.750000 Mg\n0.156813 0.328406 0.250000 V\n0.150414 0.825207 0.250000 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"W"
],
"chemical_system": "Mg-V-W",
"density": 4.108331133188908,
"density_atomic": 0.05200252410934269,
"volume": 153.83868642950608,
"volume_molar": 11.580477800149843,
"formula_full": "Mg6 V1 W1",
"formula_reduced": "Mg6VW",
"formula_anonymous": "ABC6",
"energy_above_hull": 1.0874810625,
"spacegroup": 38
},
{
"id": "jvasp-94788",
"created_at": "2022-09-04T14:36:09.104885Z",
"updated_at": "2022-09-04T14:36:09.104908Z",
"structure_string": "Ca1 Mg6 Ni1\n1.0\n6.903723 -0.425175 0.000000\n-3.820073 5.766211 0.000000\n0.000000 0.000000 4.762562\nCa Mg Ni\n1 6 1\ndirect\n0.203217 0.296784 0.250000 Ca\n0.177842 0.833782 0.250000 Mg\n0.666218 0.322158 0.250000 Mg\n0.650067 0.849934 0.250000 Mg\n0.309117 0.695477 0.750000 Mg\n0.804523 0.190884 0.750000 Mg\n0.810812 0.689189 0.750000 Mg\n0.378205 0.121795 0.750000 Ni\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ca",
"Mg",
"Ni"
],
"chemical_system": "Ca-Mg-Ni",
"density": 2.233492827458091,
"density_atomic": 0.04399127134366751,
"volume": 181.85425780270364,
"volume_molar": 13.68939922866512,
"formula_full": "Ca1 Mg6 Ni1",
"formula_reduced": "CaMg6Ni",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94128",
"created_at": "2022-09-04T14:36:09.261366Z",
"updated_at": "2022-09-04T14:36:09.261392Z",
"structure_string": "Hf1 Mg6 Co1\n1.0\n6.335700 0.345905 0.000000\n-2.868287 4.968018 0.000000\n0.000000 0.000000 4.867629\nHf Mg Co\n1 6 1\ndirect\n0.136224 0.818112 0.250000 Hf\n0.638777 0.322080 0.250000 Mg\n0.638776 0.816695 0.250000 Mg\n0.335545 0.170575 0.750000 Mg\n0.335545 0.664971 0.750000 Mg\n0.894778 0.197389 0.750000 Mg\n0.834502 0.667251 0.750000 Mg\n0.185849 0.342924 0.250000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Co"
],
"chemical_system": "Co-Hf-Mg",
"density": 4.026813542190365,
"density_atomic": 0.05061935720843736,
"volume": 158.04230715649112,
"volume_molar": 11.896912746644311,
"formula_full": "Hf1 Mg6 Co1",
"formula_reduced": "HfMg6Co",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.554016025,
"spacegroup": 38
},
{
"id": "jvasp-92863",
"created_at": "2022-09-04T14:36:09.189133Z",
"updated_at": "2022-09-04T14:36:09.189150Z",
"structure_string": "Hf1 Mg6 Nb1\n1.0\n6.414025 0.319355 0.000000\n-2.930442 5.075669 0.000000\n0.000000 0.000000 5.070890\nHf Mg Nb\n1 6 1\ndirect\n0.151038 0.825514 0.250000 Hf\n0.650956 0.325371 0.250000 Mg\n0.650959 0.825592 0.250000 Mg\n0.334027 0.170948 0.750000 Mg\n0.334032 0.663070 0.750000 Mg\n0.870571 0.185300 0.750000 Mg\n0.851212 0.675603 0.750000 Mg\n0.157210 0.328603 0.250000 Nb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Mg",
"Nb"
],
"chemical_system": "Hf-Mg-Nb",
"density": 4.079476292020981,
"density_atomic": 0.04710570883101515,
"volume": 169.8307954286142,
"volume_molar": 12.78431194317349,
"formula_full": "Hf1 Mg6 Nb1",
"formula_reduced": "HfMg6Nb",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.8804458374999999,
"spacegroup": 38
},
{
"id": "jvasp-94153",
"created_at": "2022-09-04T14:36:09.778846Z",
"updated_at": "2022-09-04T14:36:09.778874Z",
"structure_string": "Mg6 Cu1 Mo1\n1.0\n6.077965 0.025174 0.000000\n-3.017181 5.225911 0.000000\n0.000000 0.000000 4.749905\nMg Cu Mo\n6 1 1\ndirect\n0.657335 0.330590 0.250000 Mg\n0.657335 0.826743 0.250000 Mg\n0.324631 0.154402 0.749999 Mg\n0.324631 0.670230 0.749999 Mg\n0.860004 0.180002 0.749999 Mg\n0.851836 0.675919 0.749999 Mg\n0.168455 0.334228 0.250000 Cu\n0.155769 0.827883 0.250000 Mo\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cu",
"Mo"
],
"chemical_system": "Cu-Mg-Mo",
"density": 3.352403201241882,
"density_atomic": 0.05289901340022793,
"volume": 151.2315539700695,
"volume_molar": 11.384221317016193,
"formula_full": "Mg6 Cu1 Mo1",
"formula_reduced": "Mg6CuMo",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0942038312499999,
"spacegroup": 38
},
{
"id": "jvasp-15134",
"created_at": "2022-09-04T14:36:09.620234Z",
"updated_at": "2022-09-04T14:36:09.620247Z",
"structure_string": "Tb1 Ni1 C2\n1.0\n3.610116 0.000000 0.000000\n0.000000 3.618730 -1.078637\n0.000000 0.001942 3.776064\nTb Ni C\n1 1 2\ndirect\n0.000000 -0.001314 0.001314 Tb\n0.500001 0.611973 0.388025 Ni\n0.500001 0.451571 0.850229 C\n0.500001 0.149769 0.548427 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tb",
"Ni",
"C"
],
"chemical_system": "C-Ni-Tb",
"density": 8.132703510067225,
"density_atomic": 0.0810730920567564,
"volume": 49.33819468979598,
"volume_molar": 7.428038831655899,
"formula_full": "Tb1 Ni1 C2",
"formula_reduced": "TbNiC2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.5237227000000004,
"spacegroup": 38
},
{
"id": "jvasp-48131",
"created_at": "2022-09-04T14:36:09.998962Z",
"updated_at": "2022-09-04T14:36:09.998987Z",
"structure_string": "Fe2 O3 F1\n1.0\n4.379777 -0.132719 0.000000\n-0.132719 4.379777 0.000000\n0.000000 0.000000 2.859673\nFe O F\n2 3 1\ndirect\n0.023366 0.976634 0.000000 Fe\n0.479155 0.520845 0.499999 Fe\n0.198633 0.801368 0.499999 O\n0.300635 0.305294 0.000000 O\n0.694707 0.699366 0.000000 O\n0.803506 0.196494 0.499999 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.414017978995655,
"density_atomic": 0.10947875590244519,
"volume": 54.80515329701505,
"volume_molar": 5.500739125466713,
"formula_full": "Fe2 O3 F1",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.31412196375,
"spacegroup": 38
},
{
"id": "jvasp-93151",
"created_at": "2022-09-04T14:36:09.836752Z",
"updated_at": "2022-09-04T14:36:09.836781Z",
"structure_string": "Ce1 Mg6 W1\n1.0\n6.566538 -0.138828 0.000000\n-3.403497 5.617374 0.000000\n0.000000 0.000000 4.861103\nCe Mg W\n1 6 1\ndirect\n0.203958 0.296042 0.250000 Ce\n0.181786 0.822466 0.250000 Mg\n0.677533 0.318213 0.250000 Mg\n0.661175 0.838824 0.250000 Mg\n0.325380 0.677058 0.749999 Mg\n0.822942 0.174619 0.749999 Mg\n0.822841 0.677158 0.749999 Mg\n0.304382 0.195618 0.749999 W\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"W"
],
"chemical_system": "Ce-Mg-W",
"density": 4.407005387871514,
"density_atomic": 0.04519437664811156,
"volume": 177.01317272918465,
"volume_molar": 13.324978031866792,
"formula_full": "Ce1 Mg6 W1",
"formula_reduced": "CeMg6W",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.7557062250000001,
"spacegroup": 38
},
{
"id": "jvasp-94760",
"created_at": "2022-09-04T14:36:09.871320Z",
"updated_at": "2022-09-04T14:36:09.871340Z",
"structure_string": "Rb1 Ca1 Mg6\n1.0\n6.987372 0.211007 0.000000\n-3.310949 6.156745 0.000000\n0.000000 0.000000 5.474645\nRb Ca Mg\n1 1 6\ndirect\n0.367616 0.132384 0.750001 Rb\n0.164869 0.335130 0.250000 Ca\n0.117861 0.793313 0.250000 Mg\n0.706686 0.382139 0.250000 Mg\n0.644050 0.855950 0.250000 Mg\n0.313739 0.629586 0.750001 Mg\n0.870413 0.186261 0.750001 Mg\n0.814763 0.685236 0.750001 Mg\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8827946772816673,
"density_atomic": 0.03342510149449524,
"volume": 239.3410832669428,
"volume_molar": 18.016821163555125,
"formula_full": "Rb1 Ca1 Mg6",
"formula_reduced": "RbCaMg6",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0,
"spacegroup": 38
},
{
"id": "jvasp-94236",
"created_at": "2022-09-04T14:36:09.897195Z",
"updated_at": "2022-09-04T14:36:09.897216Z",
"structure_string": "Mg6 Fe1 C1\n1.0\n6.072016 -1.250959 0.000000\n-4.119371 7.134957 0.000000\n0.000000 0.000000 3.726017\nMg Fe C\n6 1 1\ndirect\n0.786665 0.394269 0.250000 Mg\n0.786666 0.892396 0.250000 Mg\n0.269124 0.063295 0.750001 Mg\n0.269124 0.705830 0.750001 Mg\n0.898562 0.199281 0.750001 Mg\n0.701522 0.600761 0.750001 Mg\n0.289489 0.394744 0.250000 Fe\n0.998854 0.749426 0.250000 C\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"C"
],
"chemical_system": "C-Fe-Mg",
"density": 2.494898682282697,
"density_atomic": 0.05624945815966951,
"volume": 142.2235922218349,
"volume_molar": 10.706131146909136,
"formula_full": "Mg6 Fe1 C1",
"formula_reduced": "Mg6FeC",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.6825924749999999,
"spacegroup": 38
},
{
"id": "jvasp-43819",
"created_at": "2022-09-04T14:36:10.027496Z",
"updated_at": "2022-09-04T14:36:10.027521Z",
"structure_string": "Mn8 O4 F12\n1.0\n4.785099 -0.143349 0.000000\n-0.143349 4.785099 0.000000\n0.000000 0.000000 12.653568\nMn O F\n8 4 12\ndirect\n0.952502 0.952502 0.000000 Mn\n0.024740 0.024740 0.249233 Mn\n0.025695 0.025695 0.500000 Mn\n0.024740 0.024740 0.750767 Mn\n0.487800 0.487800 0.625250 Mn\n0.488715 0.488715 0.124765 Mn\n0.487800 0.487800 0.374751 Mn\n0.488715 0.488715 0.875235 Mn\n0.316846 0.316846 0.751721 O\n0.660221 0.660221 0.000000 O\n0.316846 0.316846 0.248279 O\n0.316479 0.316479 0.500000 O\n0.818945 0.210085 0.624458 F\n0.188796 0.785760 0.125407 F\n0.210085 0.818945 0.375542 F\n0.210085 0.818945 0.624458 F\n0.188796 0.785760 0.874593 F\n0.264852 0.264852 0.000000 F\n0.711832 0.711832 0.256105 F\n0.713216 0.713216 0.500000 F\n0.711832 0.711832 0.743895 F\n0.785760 0.188796 0.125407 F\n0.818945 0.210085 0.375542 F\n0.785760 0.188796 0.874593 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.196123743821876,
"density_atomic": 0.08290988516699314,
"volume": 289.4709111182622,
"volume_molar": 7.2634773861651,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5549331383764369,
"spacegroup": 38
},
{
"id": "jvasp-94209",
"created_at": "2022-09-04T14:36:10.170583Z",
"updated_at": "2022-09-04T14:36:10.170620Z",
"structure_string": "Mg6 V1 Cu1\n1.0\n6.135148 -0.064087 0.000000\n-3.123075 5.281151 0.000000\n0.000000 0.000000 4.779389\nMg V Cu\n6 1 1\ndirect\n0.173277 0.850518 0.250000 Mg\n0.649481 0.326722 0.250000 Mg\n0.668693 0.831305 0.250000 Mg\n0.323934 0.658063 0.750000 Mg\n0.841937 0.176065 0.750000 Mg\n0.832747 0.667252 0.750000 Mg\n0.321403 0.178597 0.750000 V\n0.188525 0.311474 0.250000 Cu\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"V",
"Cu"
],
"chemical_system": "Cu-Mg-V",
"density": 2.8087788197421117,
"density_atomic": 0.05198224912897236,
"volume": 153.8986891496619,
"volume_molar": 11.584994610484356,
"formula_full": "Mg6 V1 Cu1",
"formula_reduced": "Mg6VCu",
"formula_anonymous": "ABC6",
"energy_above_hull": 0.0051137500000001,
"spacegroup": 38
}
]
}