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=formula_anonymous&page=1242",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=1240",
"results": [
{
"id": "jvasp-35001",
"created_at": "2022-09-04T14:37:30.086573Z",
"updated_at": "2022-09-04T14:37:30.086594Z",
"structure_string": "Mg1 Sc3 Ru2\n1.0\n3.239909 -0.000000 -0.000000\n-0.000000 3.239909 0.000000\n-0.000000 -0.000000 10.767174\nMg Sc Ru\n1 3 2\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.712810 Sc\n0.000000 0.000000 0.287190 Sc\n0.500000 0.500000 0.846656 Ru\n0.500000 0.500000 0.153343 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mg",
"Sc",
"Ru"
],
"chemical_system": "Mg-Ru-Sc",
"density": 5.308416763051583,
"density_atomic": 0.053086475707661195,
"volume": 113.02313668439865,
"volume_molar": 11.344020637502807,
"formula_full": "Mg1 Sc3 Ru2",
"formula_reduced": "MgSc3Ru2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.8674059666666665,
"spacegroup": 123
},
{
"id": "jvasp-56960",
"created_at": "2022-09-04T14:37:30.433572Z",
"updated_at": "2022-09-04T14:37:30.433592Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n2.016192 -3.492147 -0.000000\n2.016192 3.492147 -0.000000\n-0.000000 0.000000 12.000256\nCa Si Br\n3 1 2\ndirect\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.649540 Ca\n0.000000 0.000000 0.350461 Ca\n0.666667 0.333332 0.500000 Si\n0.333332 0.666667 0.827611 Br\n0.333332 0.666667 0.172389 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 3.027852027715778,
"density_atomic": 0.035506375349796115,
"volume": 168.98373717086426,
"volume_molar": 16.960730856563142,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1197696783333333,
"spacegroup": 187
},
{
"id": "jvasp-10472",
"created_at": "2022-09-04T14:37:06.265243Z",
"updated_at": "2022-09-04T14:37:06.265270Z",
"structure_string": "Na2 Si4 N6\n1.0\n4.912568 -0.000000 0.000000\n-0.000000 4.783947 -2.730841\n0.000000 -0.004063 5.508504\nNa Si N\n2 4 6\ndirect\n0.485371 0.663156 0.663155 Na\n0.985371 0.336846 0.336845 Na\n0.011949 0.016159 0.675210 Si\n0.511949 0.983843 0.324790 Si\n0.511949 0.324791 0.983841 Si\n0.011949 0.675211 0.016159 Si\n0.967682 0.771040 0.771039 N\n0.467682 0.228961 0.228961 N\n0.360025 0.655888 0.092549 N\n0.360025 0.092549 0.655887 N\n0.860025 0.907452 0.344113 N\n0.860025 0.344113 0.907451 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Si",
"N"
],
"chemical_system": "N-Na-Si",
"density": 3.1100505414187976,
"density_atomic": 0.09273326185341228,
"volume": 129.40340671903627,
"volume_molar": 6.494046084046386,
"formula_full": "Na2 Si4 N6",
"formula_reduced": "NaSi2N3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 3.695204325,
"spacegroup": 36
},
{
"id": "jvasp-10569",
"created_at": "2022-09-04T14:37:18.521122Z",
"updated_at": "2022-09-04T14:37:18.521146Z",
"structure_string": "Rb4 Ge2 Se6\n1.0\n6.555267 0.000000 2.803626\n2.847623 6.834614 2.407236\n-0.025381 0.004896 9.124718\nRb Ge Se\n4 2 6\ndirect\n0.806417 0.565213 0.821956 Rb\n0.193583 0.434787 0.178045 Rb\n0.587792 0.194470 0.629948 Rb\n0.412208 0.805530 0.370053 Rb\n0.879503 0.052673 0.188324 Ge\n0.120498 0.947327 0.811677 Ge\n0.302941 0.621485 0.772634 Se\n0.697060 0.378515 0.227367 Se\n0.254739 -0.000000 0.000000 Se\n0.745261 -0.000000 0.000000 Se\n0.890192 0.806924 0.412693 Se\n0.109808 0.193076 0.587308 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Ge",
"Se"
],
"chemical_system": "Ge-Rb-Se",
"density": 3.898815439566348,
"density_atomic": 0.02932118853327184,
"volume": 409.2603540399856,
"volume_molar": 20.538528829301903,
"formula_full": "Rb4 Ge2 Se6",
"formula_reduced": "Rb2GeSe3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.4207843416666668,
"spacegroup": 12
},
{
"id": "jvasp-35082",
"created_at": "2022-09-04T14:37:30.034890Z",
"updated_at": "2022-09-04T14:37:30.034920Z",
"structure_string": "Sr2 H3 I1\n1.0\n2.113640 -3.660932 0.000000\n2.113640 3.660932 -0.000000\n0.000000 -0.000000 7.635662\nSr H I\n2 3 1\ndirect\n0.666667 0.333333 0.320331 Sr\n0.333333 0.666667 0.679669 Sr\n0.000000 0.000000 0.500000 H\n0.666667 0.333333 0.645004 H\n0.333333 0.666667 0.354996 H\n0.000000 0.000000 0.000000 I\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sr",
"H",
"I"
],
"chemical_system": "H-I-Sr",
"density": 4.288339189192647,
"density_atomic": 0.0507752274645579,
"volume": 118.16786058099133,
"volume_molar": 11.86039149544642,
"formula_full": "Sr2 H3 I1",
"formula_reduced": "Sr2H3I",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9961414825,
"spacegroup": 164
},
{
"id": "jvasp-50801",
"created_at": "2022-09-04T14:37:08.084739Z",
"updated_at": "2022-09-04T14:37:08.084760Z",
"structure_string": "Li12 Cu4 S8\n1.0\n-3.927884 3.927884 5.969496\n3.927884 -3.927884 5.969496\n3.927884 3.927884 -5.969496\nLi Cu S\n12 4 8\ndirect\n0.843759 0.156241 0.250000 Li\n0.406240 0.156240 0.812482 Li\n0.593759 0.406240 0.749999 Li\n0.156240 0.406240 0.312483 Li\n-0.000000 -0.000000 0.499999 Li\n0.000000 0.500000 0.000000 Li\n0.156240 0.843759 0.749999 Li\n0.406241 0.593760 0.250000 Li\n0.843759 0.593760 0.687516 Li\n0.499999 0.000000 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.593760 0.843760 0.187517 Li\n0.246865 0.496865 0.749999 Cu\n0.503134 0.753134 0.749999 Cu\n0.496866 0.246866 0.250000 Cu\n0.753134 0.503135 0.250000 Cu\n0.210702 0.232844 0.977858 S\n0.789298 0.767156 0.022141 S\n0.754985 0.232845 0.522140 S\n0.232844 0.210703 0.477859 S\n0.767155 0.245015 0.977858 S\n0.232845 0.754985 0.022141 S\n0.767156 0.789297 0.522140 S\n0.245015 0.767155 0.477859 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cu",
"S"
],
"chemical_system": "Cu-Li-S",
"density": 2.6774270946365157,
"density_atomic": 0.0651472784763978,
"volume": 368.39604909505096,
"volume_molar": 9.243886929492781,
"formula_full": "Li12 Cu4 S8",
"formula_reduced": "Li3CuS2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.8256784083333335,
"spacegroup": 141
},
{
"id": "jvasp-10550",
"created_at": "2022-09-04T14:37:08.319185Z",
"updated_at": "2022-09-04T14:37:08.319211Z",
"structure_string": "Rb6 B2 As4\n1.0\n6.536916 0.010376 1.759937\n-0.218245 6.533280 1.759937\n0.005040 0.005219 9.622857\nRb B As\n6 2 4\ndirect\n0.848640 0.151361 0.750000 Rb\n0.151361 0.848640 0.250000 Rb\n0.243827 0.349306 0.982671 Rb\n0.650696 0.756173 0.517330 Rb\n0.756174 0.650695 0.017329 Rb\n0.349306 0.243827 0.482671 Rb\n0.784861 0.215140 0.250000 B\n0.215140 0.784861 0.750000 B\n0.908136 0.347106 0.357289 As\n0.652895 0.091865 0.142711 As\n0.347106 0.908136 0.857290 As\n0.091865 0.652895 0.642711 As\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"B",
"As"
],
"chemical_system": "As-B-Rb",
"density": 3.37109212466193,
"density_atomic": 0.029206312936137267,
"volume": 410.87007546071584,
"volume_molar": 20.619311904135436,
"formula_full": "Rb6 B2 As4",
"formula_reduced": "Rb3BAs2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.094796013888889,
"spacegroup": 15
},
{
"id": "jvasp-35083",
"created_at": "2022-09-04T14:37:30.047077Z",
"updated_at": "2022-09-04T14:37:30.047106Z",
"structure_string": "Ta2 Ti1 N3\n1.0\n2.633810 -4.561894 0.000000\n2.633810 4.561894 -0.000000\n-0.000000 -0.000000 2.930727\nTa Ti N\n2 1 3\ndirect\n0.666667 0.333333 0.500001 Ta\n0.333333 0.666667 0.500001 Ta\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 N\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"N"
],
"chemical_system": "N-Ta-Ti",
"density": 10.65231142493528,
"density_atomic": 0.08519542176852643,
"volume": 70.42631957738095,
"volume_molar": 7.068620161728863,
"formula_full": "Ta2 Ti1 N3",
"formula_reduced": "Ta2TiN3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 5.881754413888888,
"spacegroup": 191
},
{
"id": "jvasp-48761",
"created_at": "2022-09-04T14:38:12.009415Z",
"updated_at": "2022-09-04T14:38:12.009428Z",
"structure_string": "Fe2 O1 F3\n1.0\n4.782012 0.119033 0.000000\n0.119033 4.782012 0.000000\n0.000000 0.000000 3.108071\nFe O F\n2 1 3\ndirect\n0.023021 0.976978 0.000000 Fe\n0.484274 0.515725 0.500000 Fe\n0.194838 0.805161 0.500000 O\n0.301933 0.298552 0.000000 F\n0.701447 0.698066 0.000000 F\n0.794486 0.205512 0.500000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.317543504676278,
"density_atomic": 0.08447110386041483,
"volume": 71.03020708613876,
"volume_molar": 7.129231754744618,
"formula_full": "Fe2 O1 F3",
"formula_reduced": "Fe2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.31962089125,
"spacegroup": 38
},
{
"id": "jvasp-47929",
"created_at": "2022-09-04T14:37:08.880297Z",
"updated_at": "2022-09-04T14:37:08.880317Z",
"structure_string": "Mn6 O3 F9\n1.0\n4.778855 -0.134389 0.000000\n-0.134389 4.778855 0.000000\n0.000000 0.000000 9.480133\nMn O F\n6 3 9\ndirect\n0.955874 0.955874 0.000000 Mn\n0.028942 0.028942 0.332651 Mn\n0.028942 0.028942 0.667349 Mn\n0.492160 0.492160 0.833498 Mn\n0.492160 0.492160 0.166502 Mn\n0.492421 0.492421 0.500000 Mn\n0.320846 0.320846 0.668274 O\n0.663815 0.663815 0.000000 O\n0.320846 0.320846 0.331725 O\n0.823387 0.215324 0.500000 F\n0.192527 0.789868 0.167317 F\n0.215324 0.823387 0.500000 F\n0.192527 0.789868 0.832683 F\n0.268412 0.268412 0.000000 F\n0.716044 0.716044 0.340696 F\n0.716044 0.716044 0.659303 F\n0.789868 0.192527 0.167317 F\n0.789868 0.192527 0.832683 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.211103619068887,
"density_atomic": 0.083205867795812,
"volume": 216.33089680853004,
"volume_molar": 7.237639507322237,
"formula_full": "Mn6 O3 F9",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.55450147170977,
"spacegroup": 38
},
{
"id": "jvasp-42367",
"created_at": "2022-09-04T14:37:11.523956Z",
"updated_at": "2022-09-04T14:37:11.523981Z",
"structure_string": "Mn8 O4 F12\n1.0\n0.000000 -0.000000 -6.301990\n4.946084 4.946084 -0.000000\n4.626622 -4.626622 3.150996\nMn O F\n8 4 12\ndirect\n-0.000278 -0.000000 -0.000514 Mn\n0.499766 0.000000 -0.000514 Mn\n0.500630 0.000000 0.501262 Mn\n0.751650 0.500000 0.003301 Mn\n0.998349 0.000000 0.496699 Mn\n0.249368 0.500000 0.998737 Mn\n0.750278 0.500000 0.500514 Mn\n0.250234 0.500000 0.500514 Mn\n0.906275 0.500000 0.312550 O\n0.594905 0.500000 0.689810 O\n0.843724 0.000000 0.187450 O\n0.155094 -0.000000 0.810189 O\n0.249702 0.800836 0.499019 F\n0.350332 0.000000 0.200662 F\n0.000684 0.300836 0.000981 F\n0.500297 0.300836 0.000981 F\n0.249702 0.199163 0.499019 F\n0.000684 0.699163 0.000981 F\n0.500297 0.699163 0.000981 F\n0.749315 0.199163 0.499019 F\n0.399668 0.500000 0.299337 F\n0.650031 0.000000 0.800065 F\n0.099967 0.500000 0.699934 F\n0.749315 0.800836 0.499019 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.211337072030026,
"density_atomic": 0.08321048051921615,
"volume": 288.4252061788969,
"volume_molar": 7.237238293088912,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.5618614717097703,
"spacegroup": 63
},
{
"id": "jvasp-85187",
"created_at": "2022-09-04T14:37:18.122956Z",
"updated_at": "2022-09-04T14:37:18.122965Z",
"structure_string": "La1 Ni3 Rh2\n1.0\n5.105099 0.000110 0.000000\n-2.552454 4.421200 0.000000\n0.000000 0.000000 4.184503\nLa Ni Rh\n1 3 2\ndirect\n0.000010 0.000010 0.000000 La\n0.500019 0.500018 0.500000 Ni\n0.500017 0.000019 0.500000 Ni\n0.000019 0.500017 0.500000 Ni\n0.666663 0.333372 0.000000 Rh\n0.333373 0.666663 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Ni",
"Rh"
],
"chemical_system": "La-Ni-Rh",
"density": 9.156377306079193,
"density_atomic": 0.06352689583203446,
"volume": 94.44818484227595,
"volume_molar": 9.47967106077807,
"formula_full": "La1 Ni3 Rh2",
"formula_reduced": "LaNi3Rh2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.944081366666667,
"spacegroup": 191
}
]
}