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=4169",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=formula_anonymous&page=4167",
"results": [
{
"id": "jvasp-64141",
"created_at": "2022-09-04T14:37:52.473367Z",
"updated_at": "2022-09-04T14:37:52.473378Z",
"structure_string": "Ba4 Ga1 Hg1\n1.0\n-0.000000 5.011517 5.011517\n5.011517 -0.000000 5.011517\n5.011517 5.011517 -0.000000\nBa Ga Hg\n4 1 1\ndirect\n0.125884 0.624706 0.624706 Ba\n0.624706 0.624706 0.624706 Ba\n0.624706 0.125884 0.624706 Ba\n0.624706 0.624706 0.125884 Ba\n0.250000 0.250000 0.250000 Ga\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Hg"
],
"chemical_system": "Ba-Ga-Hg",
"density": 5.406603924043166,
"density_atomic": 0.02383491629087696,
"volume": 251.73153229392952,
"volume_molar": 25.266045353408824,
"formula_full": "Ba4 Ga1 Hg1",
"formula_reduced": "Ba4GaHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-121175",
"created_at": "2022-09-04T14:38:52.874310Z",
"updated_at": "2022-09-04T14:38:52.874349Z",
"structure_string": "Al1 N1 O4\n1.0\n-2.249383 2.249383 3.218578\n2.249383 -2.249383 3.218578\n2.249383 2.249383 -3.218578\nAl N O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Al\n0.749999 0.250000 0.499999 N\n0.039158 0.561794 0.862268 O\n0.823110 -0.039158 0.522636 O\n0.699526 0.176890 0.137730 O\n0.438205 0.300474 0.477362 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Al",
"N",
"O"
],
"chemical_system": "Al-N-O",
"density": 2.6762641232137545,
"density_atomic": 0.0921086471171028,
"volume": 65.14046387384096,
"volume_molar": 6.538084043666085,
"formula_full": "Al1 N1 O4",
"formula_reduced": "AlNO4",
"formula_anonymous": "ABC4",
"energy_above_hull": null,
"spacegroup": 82
},
{
"id": "jvasp-118092",
"created_at": "2022-09-04T14:38:52.030524Z",
"updated_at": "2022-09-04T14:38:52.030543Z",
"structure_string": "Sc1 N1 Cl4\n1.0\n-3.926055 3.926055 2.197252\n3.926055 -3.926055 2.197252\n3.926055 3.926055 -2.197252\nSc N Cl\n1 1 4\ndirect\n-0.057527 -0.057527 -0.000000 Sc\n0.442475 0.442475 0.000000 N\n0.237238 0.050827 0.402990 Cl\n0.834248 0.237239 0.186411 Cl\n0.050827 0.647836 0.813588 Cl\n0.647836 0.834248 0.597009 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 2.460964077187226,
"density_atomic": 0.04428928120627089,
"volume": 135.47295951938963,
"volume_molar": 13.59728718999244,
"formula_full": "Sc1 N1 Cl4",
"formula_reduced": "ScNCl4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.444994128333333,
"spacegroup": 87
},
{
"id": "jvasp-117136",
"created_at": "2022-09-04T14:38:49.569575Z",
"updated_at": "2022-09-04T14:38:49.569591Z",
"structure_string": "Na4 B4 H16\n1.0\n4.242907 0.000000 0.000000\n0.000000 6.974131 0.000000\n-0.000000 0.000000 7.336502\nNa B H\n4 4 16\ndirect\n0.250000 0.251048 0.520191 Na\n0.250000 0.248952 0.020191 Na\n0.750001 0.748952 0.479809 Na\n0.750001 0.751048 0.979809 Na\n0.250000 0.942020 0.766858 B\n0.250000 0.557979 0.266858 B\n0.750001 0.057979 0.233142 B\n0.750001 0.442020 0.733142 B\n0.513751 -0.031764 0.191432 H\n0.986250 0.531763 0.691432 H\n0.986250 -0.031764 0.191432 H\n0.513751 0.531763 0.691432 H\n0.486250 0.031764 0.808568 H\n0.013751 0.468236 0.308568 H\n0.250000 0.916380 0.600638 H\n0.750001 0.286587 0.657516 H\n0.750001 0.083620 0.399362 H\n0.750001 0.416380 0.899362 H\n0.486250 0.468236 0.308568 H\n0.750001 0.213412 0.157517 H\n0.250000 0.713412 0.342483 H\n0.250000 0.786587 0.842483 H\n0.250000 0.583620 0.100638 H\n0.013751 0.031764 0.808568 H\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"B",
"H"
],
"chemical_system": "B-H-Na",
"density": 1.1575288178177867,
"density_atomic": 0.11055250510172712,
"volume": 217.09141713175939,
"volume_molar": 5.447312798980543,
"formula_full": "Na4 B4 H16",
"formula_reduced": "NaBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.540571930555556,
"spacegroup": 62
},
{
"id": "jvasp-118031",
"created_at": "2022-09-04T14:38:49.573017Z",
"updated_at": "2022-09-04T14:38:49.573044Z",
"structure_string": "H4 N1 Cl1\n1.0\n1.509633 0.871587 5.389305\n-1.509633 0.871587 5.389305\n-0.000000 -1.743174 5.389305\nH N Cl\n4 1 1\ndirect\n0.935077 0.935077 0.935071 H\n0.064925 0.064925 0.064925 H\n0.664685 0.664685 0.664681 H\n0.335317 0.335317 0.335315 H\n0.000000 0.000000 0.000000 N\n0.500001 0.500001 0.499998 Cl\n",
"nsites": 6,
"nelements": 3,
"elements": [
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N",
"density": 2.087696732474438,
"density_atomic": 0.1410214294935814,
"volume": 42.54672514345127,
"volume_molar": 4.270372794848246,
"formula_full": "H4 N1 Cl1",
"formula_reduced": "H4NCl",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9685695529166662,
"spacegroup": 166
},
{
"id": "jvasp-118378",
"created_at": "2022-09-04T14:38:49.574329Z",
"updated_at": "2022-09-04T14:38:49.574350Z",
"structure_string": "Mn1 Ga1 O4\n1.0\n-1.829802 1.829802 4.887036\n1.829802 -1.829802 4.887036\n1.829802 1.829802 -4.887036\nMn Ga O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.750000 0.250000 0.500000 Ga\n0.966482 0.466482 0.500000 O\n0.808740 0.808740 0.000000 O\n0.533518 0.033518 0.500000 O\n0.191261 0.191261 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mn-O",
"density": 4.78643408894617,
"density_atomic": 0.0916721727712738,
"volume": 65.45061405897152,
"volume_molar": 6.569213511526024,
"formula_full": "Mn1 Ga1 O4",
"formula_reduced": "MnGaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.218948927729885,
"spacegroup": 119
},
{
"id": "jvasp-119702",
"created_at": "2022-09-04T14:38:49.756231Z",
"updated_at": "2022-09-04T14:38:49.756258Z",
"structure_string": "Eu2 V2 O8\n1.0\n5.846920 0.011523 -1.697772\n-3.294440 4.830452 -1.697772\n-0.006075 -0.011523 6.088421\nEu V O\n2 2 8\ndirect\n0.500000 0.499999 0.000000 Eu\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.829741 0.012482 0.182741 O\n0.897001 0.579741 0.317260 O\n0.262483 0.579741 0.682741 O\n0.829742 0.647001 0.817260 O\n0.352999 0.170258 0.182741 O\n0.420259 0.737518 0.317260 O\n0.420259 0.102999 0.682741 O\n0.987519 0.170258 0.817260 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"V",
"O"
],
"chemical_system": "Eu-O-V",
"density": 5.154737741795221,
"density_atomic": 0.06978387948143652,
"volume": 171.95948533059368,
"volume_molar": 8.62970188064992,
"formula_full": "Eu2 V2 O8",
"formula_reduced": "EuVO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2671697,
"spacegroup": 141
},
{
"id": "jvasp-113725",
"created_at": "2022-09-04T14:38:48.876962Z",
"updated_at": "2022-09-04T14:38:48.876995Z",
"structure_string": "Ta1 Sb1 O4\n1.0\n3.606449 -3.540367 0.000000\n3.606449 3.540367 0.000000\n0.000000 0.000000 3.219025\nTa Sb O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Sb\n0.322345 0.322345 0.000000 O\n0.222635 0.777364 0.500000 O\n0.777364 0.222635 0.500000 O\n0.677655 0.677655 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Sb",
"O"
],
"chemical_system": "O-Sb-Ta",
"density": 7.40771172503768,
"density_atomic": 0.07299091805188569,
"volume": 82.20200759408029,
"volume_molar": 8.250534341435673,
"formula_full": "Ta1 Sb1 O4",
"formula_reduced": "TaSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.9509732166666662,
"spacegroup": 65
},
{
"id": "jvasp-116338",
"created_at": "2022-09-04T14:38:49.146716Z",
"updated_at": "2022-09-04T14:38:49.146740Z",
"structure_string": "Ta1 Mn1 O4\n1.0\n-1.941667 1.941667 4.681133\n1.941667 -1.941667 4.681133\n1.941667 1.941667 -4.681133\nTa Mn O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Ta\n0.750002 0.250000 0.500002 Mn\n0.961720 0.461718 0.500002 O\n0.786087 0.786087 0.000000 O\n0.538283 0.038281 0.500002 O\n0.213912 0.213912 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ta",
"Mn",
"O"
],
"chemical_system": "Mn-O-Ta",
"density": 7.054093856494233,
"density_atomic": 0.08499449141677247,
"volume": 70.59281019259072,
"volume_molar": 7.085330660395734,
"formula_full": "Ta1 Mn1 O4",
"formula_reduced": "TaMnO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.4255467402298856,
"spacegroup": 119
},
{
"id": "jvasp-111728",
"created_at": "2022-09-04T14:38:52.179970Z",
"updated_at": "2022-09-04T14:38:52.179979Z",
"structure_string": "Ti3 Mn3 Sn12\n1.0\n5.637991 0.000000 0.000000\n-2.818995 4.882644 -0.000000\n0.000000 0.000000 14.137960\nTi Mn Sn\n3 3 12\ndirect\n0.500000 -0.000000 0.500000 Ti\n0.000000 0.500000 0.166667 Ti\n0.500000 0.500000 0.833333 Ti\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.166667 Mn\n0.000000 0.000000 0.833333 Mn\n0.500000 0.500000 0.217586 Sn\n0.000000 0.500000 0.782414 Sn\n0.000000 0.500000 0.550919 Sn\n0.500000 -0.000000 0.884252 Sn\n0.832989 0.167011 0.333333 Sn\n0.832989 0.665977 0.000000 Sn\n0.334022 0.167011 0.666667 Sn\n0.500000 -0.000000 0.115748 Sn\n0.665978 0.832988 0.666667 Sn\n0.167011 0.334022 0.000000 Sn\n0.167012 0.832988 0.333333 Sn\n0.500000 0.500000 0.449081 Sn\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ti",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Ti",
"density": 7.393757750380937,
"density_atomic": 0.046249422878912365,
"volume": 389.1940456668311,
"volume_molar": 13.021007366441808,
"formula_full": "Ti3 Mn3 Sn12",
"formula_reduced": "TiMnSn4",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.7853837291187742,
"spacegroup": 180
},
{
"id": "jvasp-117225",
"created_at": "2022-09-04T14:38:49.502157Z",
"updated_at": "2022-09-04T14:38:49.502175Z",
"structure_string": "Ba4 Sr4 Si16\n1.0\n6.595534 0.000000 0.000000\n0.000000 8.975864 0.000000\n-0.000000 0.000000 11.281808\nBa Sr Si\n4 4 16\ndirect\n0.250000 0.020044 0.311960 Ba\n0.250000 0.520044 0.188040 Ba\n0.750000 0.979955 0.688040 Ba\n0.750000 0.479955 0.811960 Ba\n0.250000 0.850330 0.905909 Sr\n0.250000 0.350331 0.594091 Sr\n0.750000 0.149669 0.094091 Sr\n0.750000 0.649669 0.405909 Sr\n0.566886 0.313379 0.353791 Si\n0.933113 0.813379 0.146209 Si\n0.933113 0.313379 0.353791 Si\n0.566886 0.813379 0.146209 Si\n0.433113 0.686621 0.646209 Si\n0.066886 0.186621 0.853792 Si\n0.750000 0.087789 0.404080 Si\n0.750000 0.302714 0.539220 Si\n0.250000 0.912210 0.595920 Si\n0.250000 0.412211 0.904080 Si\n0.433113 0.186621 0.853792 Si\n0.750000 0.802714 0.960780 Si\n0.250000 0.697286 0.460780 Si\n0.250000 0.197286 0.039220 Si\n0.750000 0.587789 0.095920 Si\n0.066886 0.686621 0.646209 Si\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Si"
],
"chemical_system": "Ba-Si-Sr",
"density": 3.3543342377777927,
"density_atomic": 0.03593406178612281,
"volume": 667.8899853527952,
"volume_molar": 16.758864599953625,
"formula_full": "Ba4 Sr4 Si16",
"formula_reduced": "BaSrSi4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.106196113333333,
"spacegroup": 62
},
{
"id": "jvasp-119451",
"created_at": "2022-09-04T14:38:52.861510Z",
"updated_at": "2022-09-04T14:38:52.861536Z",
"structure_string": "Tm16 Mg4 Co4\n1.0\n8.117080 -0.000000 4.686398\n2.705693 7.652856 4.686398\n-0.000000 -0.000000 9.372796\nTm Mg Co\n16 4 4\ndirect\n0.343834 0.343835 0.343835 Tm\n0.936708 0.936709 0.563292 Tm\n0.563291 0.563292 0.936709 Tm\n0.936708 0.563292 0.936709 Tm\n0.563291 0.936709 0.563292 Tm\n0.936708 0.563292 0.563292 Tm\n0.813561 0.813562 0.186439 Tm\n0.186439 0.186439 0.813562 Tm\n0.563291 0.936709 0.936709 Tm\n0.186438 0.813562 0.186439 Tm\n0.186438 0.813562 0.813562 Tm\n0.813561 0.186439 0.186439 Tm\n0.968497 0.343835 0.343835 Tm\n0.343834 0.968498 0.343835 Tm\n0.343834 0.343835 0.968498 Tm\n0.813561 0.186439 0.813562 Tm\n0.579534 0.579535 0.579535 Mg\n0.579534 0.579535 0.261395 Mg\n0.579535 0.261395 0.579535 Mg\n0.261394 0.579535 0.579535 Mg\n0.140412 0.578763 0.140413 Co\n0.140412 0.140412 0.140413 Co\n0.140412 0.140412 0.578763 Co\n0.578763 0.140412 0.140413 Co\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Tm",
"density": 8.658527631015426,
"density_atomic": 0.04122101764757812,
"volume": 582.2272561339854,
"volume_molar": 14.609393711447643,
"formula_full": "Tm16 Mg4 Co4",
"formula_reduced": "Tm4MgCo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.414399491666667,
"spacegroup": 216
}
]
}