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=volume_molar&page=845",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume_molar&page=843",
"results": [
{
"id": "jvasp-64898",
"created_at": "2022-09-04T14:35:50.323711Z",
"updated_at": "2022-09-04T14:35:50.323740Z",
"structure_string": "Mn1 Be2 Nb1\n1.0\n-1.796380 1.796380 3.664335\n1.796380 -1.796380 3.664335\n1.796380 1.796380 -3.664335\nMn Be Nb\n1 2 1\ndirect\n0.499999 0.499999 0.000000 Mn\n0.000000 0.000000 0.000000 Be\n0.250000 0.750000 0.500000 Be\n0.750000 0.250000 0.500000 Nb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Nb"
],
"chemical_system": "Be-Mn-Nb",
"density": 5.8232064426315295,
"density_atomic": 0.08456845702101255,
"volume": 47.2989592207663,
"volume_molar": 7.121024755723865,
"formula_full": "Mn1 Be2 Nb1",
"formula_reduced": "MnBe2Nb",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.372064710344827,
"spacegroup": 119
},
{
"id": "jvasp-70617",
"created_at": "2022-09-04T14:35:57.898305Z",
"updated_at": "2022-09-04T14:35:57.898326Z",
"structure_string": "Be2 Cd1 Ni1\n1.0\n-1.744955 1.744955 3.883537\n1.744955 -1.744955 3.883537\n1.744955 1.744955 -3.883537\nBe Cd Ni\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.749999 0.499999 Be\n0.500000 0.500000 0.000000 Cd\n0.749999 0.250000 0.499999 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Ni"
],
"chemical_system": "Be-Cd-Ni",
"density": 6.639735514269811,
"density_atomic": 0.0845676163566995,
"volume": 47.299429407213246,
"volume_molar": 7.121095543948038,
"formula_full": "Be2 Cd1 Ni1",
"formula_reduced": "Be2CdNi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.02821499375,
"spacegroup": 119
},
{
"id": "jvasp-31183",
"created_at": "2022-09-04T14:38:31.788397Z",
"updated_at": "2022-09-04T14:38:31.788414Z",
"structure_string": "K2 B2 H8\n1.0\n4.660506 0.000000 0.000000\n0.000000 4.660506 0.000000\n0.000000 0.000000 6.533213\nK B H\n2 2 8\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 B\n0.000000 0.000000 0.500000 B\n0.000000 0.215905 0.608740 H\n0.784096 0.000000 0.391259 H\n0.000000 0.784096 0.608740 H\n0.500000 0.715905 0.891259 H\n0.715905 0.500000 0.108741 H\n0.284096 0.500000 0.108741 H\n0.500000 0.284096 0.891259 H\n0.215905 0.000000 0.391259 H\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"B",
"H"
],
"chemical_system": "B-H-K",
"density": 1.2624250665926464,
"density_atomic": 0.08456453899052653,
"volume": 141.90345200538866,
"volume_molar": 7.12135468588629,
"formula_full": "K2 B2 H8",
"formula_reduced": "KBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.483776763888889,
"spacegroup": 137
},
{
"id": "jvasp-96878",
"created_at": "2022-09-04T14:36:08.300321Z",
"updated_at": "2022-09-04T14:36:08.300342Z",
"structure_string": "Na10 P6 H4 O22\n1.0\n10.698082 0.064896 -1.643838\n-0.683893 6.864147 -5.250240\n0.040453 -0.137504 6.860797\nNa P H O\n10 6 4 22\ndirect\n0.244953 0.000879 0.085108 Na\n0.755047 0.999123 0.914894 Na\n0.250493 0.583967 0.539854 Na\n0.749506 0.416035 0.460147 Na\n0.246700 0.562385 0.013936 Na\n0.753299 0.437616 0.986066 Na\n0.495715 0.779242 0.451731 Na\n0.504285 0.220759 0.548271 Na\n0.006525 0.815546 0.521070 Na\n-0.006525 0.184455 0.478932 Na\n0.027399 0.317424 0.116520 P\n0.466369 0.311426 0.110901 P\n0.972601 0.682577 0.883481 P\n0.280563 0.048348 0.623468 P\n0.719437 0.951654 0.376533 P\n0.533631 0.688575 0.889101 P\n0.500000 0.000000 0.000000 H\n0.000000 0.500000 0.000000 H\n0.975203 0.975413 0.943188 H\n0.024797 0.024589 0.056814 H\n0.807051 0.792256 0.320159 O\n0.192949 0.207746 0.679843 O\n0.871130 0.714175 0.735115 O\n0.128870 0.285827 0.264886 O\n0.065658 0.518415 0.174776 O\n0.894830 0.318619 0.175958 O\n0.934342 0.481587 0.825225 O\n0.600675 0.387069 0.156447 O\n0.105170 0.681382 0.824044 O\n0.399325 0.612933 0.843555 O\n0.581669 0.825034 0.193831 O\n0.543308 0.844151 0.841888 O\n0.378993 0.472988 0.243509 O\n0.621007 0.527013 0.756493 O\n0.758163 0.082602 0.315081 O\n0.241837 0.917400 0.684920 O\n0.680418 0.065309 0.635780 O\n0.319582 0.934693 0.364221 O\n0.418331 0.174968 0.806170 O\n0.994323 0.841744 0.178550 O\n0.456692 0.155851 0.158114 O\n0.005677 0.158257 0.821452 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Na",
"P",
"H",
"O"
],
"chemical_system": "H-Na-O-P",
"density": 2.5802056979257775,
"density_atomic": 0.08456154684159271,
"volume": 496.67965604600016,
"volume_molar": 7.121606669850948,
"formula_full": "Na10 P6 H4 O22",
"formula_reduced": "Na5P3H2O11",
"formula_anonymous": "A2B3C5D11",
"energy_above_hull": 2.14017619047619,
"spacegroup": 2
},
{
"id": "jvasp-119171",
"created_at": "2022-09-04T14:38:51.749687Z",
"updated_at": "2022-09-04T14:38:51.749722Z",
"structure_string": "Li2 Al2 Si6 O16\n1.0\n6.650048 -0.058349 -2.434886\n-2.200021 6.158189 -3.187961\n-0.009337 -0.016322 7.545671\nLi Al Si O\n2 2 6 16\ndirect\n0.879843 0.754373 0.715801 Li\n0.120158 0.245627 0.284199 Li\n0.801919 0.147228 0.842069 Al\n0.198081 0.852772 0.157931 Al\n0.289310 0.574065 0.777793 Si\n0.239889 0.173684 0.816404 Si\n0.710690 0.425935 0.222206 Si\n0.366424 0.775292 0.533628 Si\n0.633576 0.224708 0.466371 Si\n0.760111 0.826317 0.183595 Si\n0.842480 0.282032 0.119501 O\n0.457879 0.318860 0.049580 O\n0.542121 0.681140 0.950419 O\n0.193878 0.319594 0.701160 O\n0.806122 0.680406 0.298840 O\n0.157520 0.717968 0.880499 O\n0.269721 0.960345 0.648199 O\n0.626274 0.871872 0.679051 O\n0.957428 0.900505 0.139996 O\n0.042572 0.099496 0.860004 O\n0.373726 0.128128 0.320949 O\n0.717545 0.298383 0.723175 O\n0.265787 0.561879 0.546096 O\n0.734213 0.438122 0.453904 O\n0.730279 0.039655 0.351801 O\n0.282455 0.701618 0.276825 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Li-O-Si",
"density": 2.659017655386426,
"density_atomic": 0.08456153783946246,
"volume": 307.46839123668985,
"volume_molar": 7.12160742799268,
"formula_full": "Li2 Al2 Si6 O16",
"formula_reduced": "LiAlSi3O8",
"formula_anonymous": "ABC3D8",
"energy_above_hull": 2.708591276923077,
"spacegroup": 2
},
{
"id": "jvasp-116054",
"created_at": "2022-09-04T14:38:52.365087Z",
"updated_at": "2022-09-04T14:38:52.365118Z",
"structure_string": "Ta2 N3 F1\n1.0\n5.407048 0.000000 0.000000\n-2.703524 4.682641 0.000000\n-0.000000 0.000000 2.802430\nTa N F\n2 3 1\ndirect\n0.666667 0.333333 0.499999 Ta\n0.333334 0.666667 0.499999 Ta\n0.500001 0.500000 0.000000 N\n0.000001 0.500000 0.000000 N\n0.500000 -0.000000 0.000000 N\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"N",
"F"
],
"chemical_system": "F-N-Ta",
"density": 9.897273418175146,
"density_atomic": 0.08456008066609164,
"volume": 70.95546684365905,
"volume_molar": 7.121730150400462,
"formula_full": "Ta2 N3 F1",
"formula_reduced": "Ta2N3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.134086405416667,
"spacegroup": 191
},
{
"id": "jvasp-55144",
"created_at": "2022-09-04T14:38:33.090334Z",
"updated_at": "2022-09-04T14:38:33.090359Z",
"structure_string": "Zn2 B6 Ir8\n1.0\n2.815045 0.000000 0.000000\n0.000000 2.846920 0.000000\n0.000000 0.000000 23.611404\nZn B Ir\n2 6 8\ndirect\n0.499999 -0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.499999 -0.000000 0.376724 B\n0.000000 0.000000 0.122168 B\n0.000000 0.000000 0.877832 B\n-0.000000 0.500000 0.239927 B\n-0.000000 0.500000 0.760073 B\n0.499999 -0.000000 0.623276 B\n0.499999 0.500000 0.915854 Ir\n0.499999 -0.000000 0.196719 Ir\n0.000000 0.000000 0.692799 Ir\n0.499999 -0.000000 0.803281 Ir\n0.499999 0.500000 0.084145 Ir\n0.000000 0.000000 0.307201 Ir\n-0.000000 0.500000 0.417125 Ir\n-0.000000 0.500000 0.582875 Ir\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"B",
"Ir"
],
"chemical_system": "B-Ir-Zn",
"density": 15.211445412456122,
"density_atomic": 0.08455466346854094,
"volume": 189.22670073606162,
"volume_molar": 7.122186421143492,
"formula_full": "Zn2 B6 Ir8",
"formula_reduced": "ZnB3Ir4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.39073656875,
"spacegroup": 47
},
{
"id": "jvasp-104722",
"created_at": "2022-09-04T14:36:46.940779Z",
"updated_at": "2022-09-04T14:36:46.940794Z",
"structure_string": "Mn3 Fe3 Ge2\n1.0\n5.148275 -0.000000 0.000000\n-2.574137 4.458537 0.000000\n-0.000000 -0.000000 4.121934\nMn Fe Ge\n3 3 2\ndirect\n0.985480 0.492741 -0.000000 Mn\n0.507260 0.492741 -0.000000 Mn\n0.507260 0.014521 -0.000000 Mn\n0.344872 0.172436 0.499999 Fe\n0.827565 0.172436 0.499999 Fe\n0.827565 0.655128 0.499999 Fe\n0.333334 0.666667 0.499999 Ge\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mn",
"Fe",
"Ge"
],
"chemical_system": "Fe-Ge-Mn",
"density": 8.382716181086405,
"density_atomic": 0.08455413309085921,
"volume": 94.61394384356649,
"volume_molar": 7.122231096058661,
"formula_full": "Mn3 Fe3 Ge2",
"formula_reduced": "Mn3Fe3Ge2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 3.579733765517241,
"spacegroup": 187
},
{
"id": "jvasp-72214",
"created_at": "2022-09-04T14:35:53.521576Z",
"updated_at": "2022-09-04T14:35:53.521592Z",
"structure_string": "Be1 Ga1 Cu2\n1.0\n3.671501 0.000000 0.000000\n0.000000 3.671501 -0.000000\n-0.000000 -0.000000 3.509464\nBe Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.499999 Be\n0.500000 0.500000 0.499999 Ga\n0.500000 0.000000 0.000000 Cu\n0.000000 0.500000 0.000000 Cu\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Cu"
],
"chemical_system": "Be-Cu-Ga",
"density": 7.224765112687544,
"density_atomic": 0.08455356004743296,
"volume": 47.30729253453166,
"volume_molar": 7.122279365436171,
"formula_full": "Be1 Ga1 Cu2",
"formula_reduced": "BeGaCu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1577298031249999,
"spacegroup": 123
},
{
"id": "jvasp-74466",
"created_at": "2022-09-04T14:35:42.143573Z",
"updated_at": "2022-09-04T14:35:42.143599Z",
"structure_string": "Be2 Zn1 Si1\n1.0\n-1.793877 1.793877 3.675222\n1.793877 -1.793877 3.675222\n1.793877 1.793877 -3.675222\nBe Zn Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.750001 0.250000 0.500001 Zn\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Si"
],
"chemical_system": "Be-Si-Zn",
"density": 3.9144300982186375,
"density_atomic": 0.0845534045425702,
"volume": 47.307379538882024,
"volume_molar": 7.122292464247286,
"formula_full": "Be2 Zn1 Si1",
"formula_reduced": "Be2ZnSi",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.4040627999999995,
"spacegroup": 119
},
{
"id": "jvasp-71552",
"created_at": "2022-09-04T14:35:47.705733Z",
"updated_at": "2022-09-04T14:35:47.705748Z",
"structure_string": "Be2 Mo1 Pt1\n1.0\n2.766426 0.000000 0.000000\n0.000000 2.766426 0.000000\n-0.000000 -0.000000 6.181644\nBe Mo Pt\n2 1 1\ndirect\n0.000000 0.000000 0.726050 Be\n0.000000 0.000000 0.273950 Be\n0.500001 0.500001 0.000000 Mo\n0.500001 0.500001 0.500000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Mo",
"Pt"
],
"chemical_system": "Be-Mo-Pt",
"density": 10.847594460645539,
"density_atomic": 0.08455083201408424,
"volume": 47.30881890474704,
"volume_molar": 7.122509165843393,
"formula_full": "Be2 Mo1 Pt1",
"formula_reduced": "Be2MoPt",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.986654875,
"spacegroup": 123
},
{
"id": "jvasp-86460",
"created_at": "2022-09-04T14:36:16.156327Z",
"updated_at": "2022-09-04T14:36:16.156341Z",
"structure_string": "Ca1 As2 O6\n1.0\n4.916251 0.000000 0.000000\n-2.458126 4.257598 -0.000000\n0.000000 -0.000000 5.085433\nCa As O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333333 0.666667 0.500000 As\n0.666667 0.333333 0.500000 As\n0.376554 0.376555 0.706024 O\n0.623445 -0.000000 0.706024 O\n-0.000000 0.623446 0.706024 O\n0.376554 -0.000000 0.293975 O\n-0.000000 0.376555 0.293975 O\n0.623445 0.623446 0.293975 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ca",
"As",
"O"
],
"chemical_system": "As-Ca-O",
"density": 4.460292594549438,
"density_atomic": 0.08455043991695606,
"volume": 106.44533616666739,
"volume_molar": 7.122542196013221,
"formula_full": "Ca1 As2 O6",
"formula_reduced": "Ca(AsO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.244682768888889,
"spacegroup": 162
}
]
}