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=density_atomic&page=3654",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=3652",
"results": [
{
"id": "jvasp-40985",
"created_at": "2022-09-04T14:38:35.958617Z",
"updated_at": "2022-09-04T14:38:35.958645Z",
"structure_string": "Cu3 Mo2 H2 O10\n1.0\n5.384636 -0.014453 -0.005247\n-0.738068 5.578235 0.000224\n-2.155794 -2.031258 6.971798\nCu Mo H O\n3 2 2 10\ndirect\n0.227664 0.088544 0.191242 Cu\n0.772337 0.911456 0.808757 Cu\n-0.000000 0.500000 -0.000000 Cu\n0.682051 0.724223 0.307636 Mo\n0.317950 0.275778 0.692363 Mo\n0.767214 0.172458 0.136771 H\n0.232786 0.827543 0.863228 H\n0.029679 0.295622 0.765732 O\n0.427730 0.997520 0.732233 O\n0.769622 0.739134 0.554125 O\n0.230379 0.260866 0.445874 O\n0.429179 0.459437 0.168626 O\n0.970321 0.704379 0.234268 O\n0.570822 0.540564 0.831373 O\n0.888486 0.177715 0.059865 O\n0.572271 0.002481 0.267766 O\n0.111514 0.822286 0.940135 O\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Cu",
"Mo",
"H",
"O"
],
"chemical_system": "Cu-H-Mo-O",
"density": 4.320834976221787,
"density_atomic": 0.08123578528633423,
"volume": 209.26738062640234,
"volume_molar": 7.413162485933482,
"formula_full": "Cu3 Mo2 H2 O10",
"formula_reduced": "Cu3Mo2(HO5)2",
"formula_anonymous": "A2B2C3D10",
"energy_above_hull": 2.8622316558823524,
"spacegroup": 2
},
{
"id": "jvasp-115660",
"created_at": "2022-09-04T14:38:42.699812Z",
"updated_at": "2022-09-04T14:38:42.699841Z",
"structure_string": "Ga1 Ag1 O2\n1.0\n1.508550 0.870962 6.245926\n-1.508550 0.870962 6.245926\n-0.000000 -1.741923 6.245926\nGa Ag O\n1 1 2\ndirect\n0.500000 0.500000 0.500002 Ga\n0.000000 0.000000 0.000000 Ag\n0.887421 0.887421 0.887426 O\n0.112578 0.112578 0.112579 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ga",
"Ag",
"O"
],
"chemical_system": "Ag-Ga-O",
"density": 7.068264943973125,
"density_atomic": 0.08123686518686883,
"volume": 49.238729126226325,
"volume_molar": 7.413063941041169,
"formula_full": "Ga1 Ag1 O2",
"formula_reduced": "GaAgO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6765041462499999,
"spacegroup": 166
},
{
"id": "jvasp-16576",
"created_at": "2022-09-04T14:37:56.283471Z",
"updated_at": "2022-09-04T14:37:56.283499Z",
"structure_string": "Mn1 Ni1\n1.0\n2.909090 0.000000 -0.000000\n0.000000 2.909090 0.000000\n0.000000 -0.000000 2.909090\nMn Ni\n1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ni\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.664364569489928,
"density_atomic": 0.08123786912922852,
"volume": 24.619060315559427,
"volume_molar": 7.412972329961445,
"formula_full": "Mn1 Ni1",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.775684820689655,
"spacegroup": 221
},
{
"id": "jvasp-4376",
"created_at": "2022-09-04T14:38:16.748196Z",
"updated_at": "2022-09-04T14:38:16.748220Z",
"structure_string": "Mn2 Ni2\n1.0\n2.893856 0.000000 0.000000\n-0.000000 4.124678 0.000000\n0.000000 0.000000 4.124678\nMn Ni\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mn\n0.500001 0.000000 0.500000 Ni\n0.500001 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.665149072260936,
"density_atomic": 0.08124618440870991,
"volume": 49.23308127158257,
"volume_molar": 7.412213636649751,
"formula_full": "Mn2 Ni2",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7758098206896549,
"spacegroup": 221
},
{
"id": "jvasp-19979",
"created_at": "2022-09-04T14:37:35.875970Z",
"updated_at": "2022-09-04T14:37:35.875998Z",
"structure_string": "Mn2 Ni2\n1.0\n2.893873 0.000000 0.000000\n0.000000 4.124658 0.000000\n0.000000 0.000000 4.124658\nMn Ni\n2 2\ndirect\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.499999 0.000000 0.500000 Ni\n0.499999 0.500000 0.000000 Ni\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mn",
"Ni"
],
"chemical_system": "Mn-Ni",
"density": 7.66517837811838,
"density_atomic": 0.08124649503399271,
"volume": 49.23289304143447,
"volume_molar": 7.412185297938573,
"formula_full": "Mn2 Ni2",
"formula_reduced": "MnNi",
"formula_anonymous": "AB",
"energy_above_hull": 1.7758098206896549,
"spacegroup": 221
},
{
"id": "jvasp-100663",
"created_at": "2022-09-04T14:36:39.761474Z",
"updated_at": "2022-09-04T14:36:39.761493Z",
"structure_string": "Ce1 Zr1 O4\n1.0\n3.591626 -0.003366 5.302503\n1.624299 3.203349 5.302503\n-0.005487 -0.003366 6.404396\nCe Zr O\n1 1 4\ndirect\n0.500001 0.499999 0.500000 Ce\n0.000000 0.000000 0.000000 Zr\n0.369861 0.369859 0.369860 O\n0.879493 0.879490 0.879492 O\n0.630141 0.630139 0.630140 O\n0.120508 0.120508 0.120508 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ce",
"Zr",
"O"
],
"chemical_system": "Ce-O-Zr",
"density": 6.6409792180791465,
"density_atomic": 0.08124853384600142,
"volume": 73.84748642200003,
"volume_molar": 7.4119993000912165,
"formula_full": "Ce1 Zr1 O4",
"formula_reduced": "CeZrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.3772173333333337,
"spacegroup": 166
},
{
"id": "jvasp-116554",
"created_at": "2022-09-04T14:38:43.973092Z",
"updated_at": "2022-09-04T14:38:43.973120Z",
"structure_string": "Nd2 Co18 Si4\n1.0\n7.425774 0.002912 -1.310001\n-5.227157 5.274367 -1.310001\n-0.001213 -0.002912 7.540439\nNd Co Si\n2 18 4\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750001 0.500000 Nd\n0.896045 0.565501 0.081700 Co\n0.896045 0.814346 0.330545 Co\n0.815500 0.646046 0.581700 Co\n0.815500 0.233801 0.169455 Co\n0.483801 0.565501 0.669455 Co\n0.483801 0.814346 0.918301 Co\n0.064346 0.646046 0.830545 Co\n0.064346 0.233801 0.418300 Co\n0.353954 0.184500 0.418300 Co\n0.434500 0.103955 0.918301 Co\n0.434499 0.516200 0.330545 Co\n0.766199 0.184500 0.830545 Co\n0.766199 0.935655 0.581700 Co\n0.185655 0.103955 0.669455 Co\n0.185654 0.516200 0.081700 Co\n0.500000 0.500000 0.000000 Co\n0.750000 0.250000 0.500000 Co\n0.353954 0.935655 0.169455 Co\n0.625000 0.375000 0.750000 Si\n0.125000 0.375000 0.750000 Si\n0.625000 0.875000 0.250000 Si\n0.625000 0.375000 0.250000 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Co",
"Si"
],
"chemical_system": "Co-Nd-Si",
"density": 8.21656765507047,
"density_atomic": 0.08124881954039812,
"volume": 295.38890701134244,
"volume_molar": 7.411973237353562,
"formula_full": "Nd2 Co18 Si4",
"formula_reduced": "NdCo9Si2",
"formula_anonymous": "AB2C9",
"energy_above_hull": 3.7870289,
"spacegroup": 141
},
{
"id": "jvasp-45992",
"created_at": "2022-09-04T14:38:06.777369Z",
"updated_at": "2022-09-04T14:38:06.777389Z",
"structure_string": "Y2 H2 O4\n1.0\n3.513797 -0.000069 0.000003\n-1.756958 3.043091 0.000026\n0.000020 0.000062 9.208196\nY H O\n2 2 4\ndirect\n0.999998 0.000169 0.999999 Y\n-0.000000 0.999883 0.499999 Y\n0.333330 0.666686 0.249992 H\n0.666672 0.333358 0.749993 H\n0.333320 0.666818 0.116975 O\n0.333345 0.666562 0.383035 O\n0.666675 0.333494 0.883035 O\n0.666659 0.333225 0.616975 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Y",
"H",
"O"
],
"chemical_system": "H-O-Y",
"density": 4.112125992806674,
"density_atomic": 0.08125100634838248,
"volume": 98.46031894913584,
"volume_molar": 7.4117737498273915,
"formula_full": "Y2 H2 O4",
"formula_reduced": "YHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8924906125000005,
"spacegroup": 194
},
{
"id": "jvasp-67338",
"created_at": "2022-09-04T14:36:20.382147Z",
"updated_at": "2022-09-04T14:36:20.382173Z",
"structure_string": "Be2 Nb1 Zn1\n1.0\n2.761139 0.000000 -0.000000\n0.000000 2.761139 0.000000\n0.000000 0.000000 6.456827\nBe Nb Zn\n2 1 1\ndirect\n0.000000 0.000000 0.031482 Be\n0.500000 0.500000 0.196992 Be\n0.000000 0.000000 0.472605 Nb\n0.500000 0.500000 0.798921 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Zn"
],
"chemical_system": "Be-Nb-Zn",
"density": 5.948447221424148,
"density_atomic": 0.08125765790660683,
"volume": 49.22612961103782,
"volume_molar": 7.411167039691845,
"formula_full": "Be2 Nb1 Zn1",
"formula_reduced": "Be2NbZn",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.895353,
"spacegroup": 99
},
{
"id": "jvasp-91352",
"created_at": "2022-09-04T14:35:43.418714Z",
"updated_at": "2022-09-04T14:35:43.418739Z",
"structure_string": "Li8 Bi8 O24\n1.0\n4.997873 0.000000 0.000000\n0.000000 8.997284 0.000000\n0.000000 0.000000 10.947020\nLi Bi O\n8 8 24\ndirect\n0.500719 0.712226 0.404412 Li\n0.000719 0.287774 0.095588 Li\n0.499281 0.212226 0.095588 Li\n0.999280 0.787774 0.404412 Li\n0.499281 0.287774 0.595588 Li\n0.999280 0.712226 0.904412 Li\n0.500719 0.787774 0.904412 Li\n0.000719 0.212226 0.595588 Li\n0.003420 0.085838 0.863241 Bi\n0.503420 0.914161 0.636759 Bi\n0.003420 0.414161 0.363241 Bi\n0.503420 0.585838 0.136759 Bi\n0.996579 0.914161 0.136759 Bi\n0.496580 0.085838 0.363241 Bi\n0.496580 0.414161 0.863241 Bi\n0.996579 0.585838 0.636759 Bi\n0.694482 0.596034 0.957418 O\n0.750000 0.750000 0.724108 O\n0.250000 0.250000 0.775892 O\n0.250000 0.250000 0.275892 O\n0.750000 0.750000 0.224108 O\n0.250000 0.750000 0.048468 O\n0.750000 0.250000 0.451532 O\n0.723242 0.086377 0.198257 O\n0.223243 0.913623 0.301743 O\n0.276757 0.586377 0.301743 O\n0.776757 0.413623 0.198257 O\n0.276757 0.913623 0.801743 O\n0.776757 0.086377 0.698257 O\n0.723242 0.413623 0.698257 O\n0.223243 0.586377 0.801743 O\n0.194482 0.096034 0.042582 O\n0.694482 0.903966 0.457418 O\n0.805517 0.596034 0.457418 O\n0.305517 0.403966 0.042582 O\n0.750000 0.250000 0.951532 O\n0.305517 0.096034 0.542582 O\n0.194482 0.403966 0.542582 O\n0.250000 0.750000 0.548468 O\n0.805517 0.903966 0.957418 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Li",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O",
"density": 7.1222657100750455,
"density_atomic": 0.08125824427404328,
"volume": 492.25774390473015,
"volume_molar": 7.411113559985791,
"formula_full": "Li8 Bi8 O24",
"formula_reduced": "LiBiO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.6061449599999995,
"spacegroup": 56
},
{
"id": "jvasp-71034",
"created_at": "2022-09-04T14:35:58.903167Z",
"updated_at": "2022-09-04T14:35:58.903184Z",
"structure_string": "Li1 Be1 Pt2\n1.0\n2.888010 0.000000 0.000000\n0.000000 2.888010 -0.000000\n-0.000000 0.000000 5.901942\nLi Be Pt\n1 1 2\ndirect\n0.500000 0.500000 0.728685 Li\n0.000000 0.000000 0.511464 Be\n0.000000 0.000000 0.951193 Pt\n0.500000 0.500000 0.308657 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Be",
"Pt"
],
"chemical_system": "Be-Li-Pt",
"density": 13.699742881911606,
"density_atomic": 0.08125828811282304,
"volume": 49.22574783320812,
"volume_molar": 7.411109561696107,
"formula_full": "Li1 Be1 Pt2",
"formula_reduced": "LiBePt2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.822827225,
"spacegroup": 99
},
{
"id": "jvasp-1342",
"created_at": "2022-09-04T14:35:44.357400Z",
"updated_at": "2022-09-04T14:35:44.357414Z",
"structure_string": "U1 N2\n1.0\n3.236819 0.000000 1.868778\n1.078940 3.051701 1.868778\n-0.000000 -0.000000 3.737556\nU N\n1 2\ndirect\n0.000000 0.000000 0.000000 U\n0.250000 0.250000 0.250001 N\n0.750000 0.750000 0.750002 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"U",
"N"
],
"chemical_system": "N-U",
"density": 11.966074554566028,
"density_atomic": 0.08125931398335152,
"volume": 36.9188447814689,
"volume_molar": 7.411015999019905,
"formula_full": "U1 N2",
"formula_reduced": "UN2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.291307499999999,
"spacegroup": 225
}
]
}