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=3623",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=density_atomic&page=3621",
"results": [
{
"id": "jvasp-50727",
"created_at": "2022-09-04T14:36:42.837104Z",
"updated_at": "2022-09-04T14:36:42.837114Z",
"structure_string": "Y1 Zr4 O9\n1.0\n5.219458 -0.018896 0.018640\n2.310288 5.637232 0.010937\n2.290734 0.161543 5.902314\nY Zr O\n1 4 9\ndirect\n0.187947 0.369293 0.209725 Y\n0.430329 0.801259 0.419368 Zr\n0.946021 0.025820 0.001125 Zr\n0.834164 0.609797 0.765142 Zr\n0.546502 0.216274 0.638426 Zr\n0.830504 0.709182 0.091786 O\n0.757949 0.468236 0.500240 O\n0.590364 0.105177 0.326940 O\n0.927298 0.949318 0.684536 O\n0.426858 0.865043 0.748153 O\n0.187213 0.992367 0.214844 O\n0.238610 0.534198 0.489813 O\n0.134256 0.306196 0.880280 O\n0.611990 0.347826 0.929621 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Zr",
"O"
],
"chemical_system": "O-Y-Zr",
"density": 5.715486955387627,
"density_atomic": 0.08060812966831078,
"volume": 173.6797523724679,
"volume_molar": 7.470885113921041,
"formula_full": "Y1 Zr4 O9",
"formula_reduced": "YZr4O9",
"formula_anonymous": "AB4C9",
"energy_above_hull": 3.436981782142857,
"spacegroup": 1
},
{
"id": "jvasp-67082",
"created_at": "2022-09-04T14:36:16.376857Z",
"updated_at": "2022-09-04T14:36:16.376882Z",
"structure_string": "Be1 Ga1 Ru1\n1.0\n-1.503198 1.503198 4.117621\n1.503198 -1.503198 4.117621\n1.503198 1.503198 -4.117621\nBe Ga Ru\n1 1 1\ndirect\n0.022875 0.022875 0.000000 Be\n0.331195 0.331195 0.000000 Ga\n0.645929 0.645929 0.000000 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Ga",
"Ru"
],
"chemical_system": "Be-Ga-Ru",
"density": 8.02255238177021,
"density_atomic": 0.08060881089765708,
"volume": 37.216775270495845,
"volume_molar": 7.4708219770737685,
"formula_full": "Be1 Ga1 Ru1",
"formula_reduced": "BeGaRu",
"formula_anonymous": "ABC",
"energy_above_hull": 1.6708863083333338,
"spacegroup": 107
},
{
"id": "jvasp-22973",
"created_at": "2022-09-04T14:37:32.801063Z",
"updated_at": "2022-09-04T14:37:32.801095Z",
"structure_string": "K8 Li12 Ga4 O16\n1.0\n0.000000 5.540330 0.009321\n8.778813 0.000000 0.000000\n0.000000 -3.978904 -10.209076\nK Li Ga O\n8 12 4 16\ndirect\n0.296982 0.992635 0.138964 K\n0.703019 0.492635 0.361036 K\n0.703020 0.007365 0.861036 K\n0.296982 0.507365 0.638964 K\n0.280301 0.724835 0.392048 K\n0.719699 0.224835 0.107953 K\n0.719700 0.275165 0.607953 K\n0.280302 0.775164 0.892048 K\n0.374048 0.508881 0.070780 Li\n0.374048 0.991118 0.570780 Li\n0.625954 0.491118 0.929220 Li\n0.092939 0.463555 0.203529 Li\n0.907062 0.963555 0.296471 Li\n0.625953 0.008881 0.429220 Li\n0.092939 0.036445 0.703530 Li\n0.381774 0.238463 0.299067 Li\n0.618227 0.738463 0.200933 Li\n0.618227 0.761537 0.700933 Li\n0.381774 0.261537 0.799067 Li\n0.907063 0.536445 0.796471 Li\n0.101255 0.211798 0.436948 Ga\n0.898745 0.711797 0.063053 Ga\n0.101256 0.288202 0.936948 Ga\n0.898746 0.788202 0.563053 Ga\n0.220016 0.106606 0.885555 O\n0.257378 0.049198 0.376478 O\n0.220016 0.393393 0.385555 O\n0.742623 0.549197 0.123523 O\n0.779985 0.893393 0.114445 O\n0.779985 0.606606 0.614445 O\n0.233659 0.310674 0.120578 O\n0.256065 0.677438 0.143087 O\n0.766343 0.689325 0.879423 O\n0.233659 0.189325 0.620578 O\n0.743935 0.177438 0.356913 O\n0.256066 0.822562 0.643087 O\n0.743936 0.322562 0.856914 O\n0.742624 0.950802 0.623523 O\n0.766342 0.810674 0.379422 O\n0.257378 0.450802 0.876478 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"K",
"Li",
"Ga",
"O"
],
"chemical_system": "Ga-K-Li-O",
"density": 3.115354573686441,
"density_atomic": 0.08060964013321711,
"volume": 496.2185655945765,
"volume_molar": 7.470745124339581,
"formula_full": "K8 Li12 Ga4 O16",
"formula_reduced": "K2Li3GaO4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 0.9309672325,
"spacegroup": 14
},
{
"id": "jvasp-114309",
"created_at": "2022-09-04T14:38:40.314557Z",
"updated_at": "2022-09-04T14:38:40.314575Z",
"structure_string": "Al1 H1 N1\n1.0\n3.325209 -0.000000 0.000000\n-1.662604 2.879715 -0.000000\n0.000000 0.000000 3.886121\nAl H N\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.333335 0.666668 0.000000 H\n0.666668 0.333334 0.000000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Al",
"H",
"N"
],
"chemical_system": "Al-H-N",
"density": 1.8740194617809316,
"density_atomic": 0.08061882794539031,
"volume": 37.2121510130629,
"volume_molar": 7.469893712768047,
"formula_full": "Al1 H1 N1",
"formula_reduced": "AlHN",
"formula_anonymous": "ABC",
"energy_above_hull": 2.92211535,
"spacegroup": 187
},
{
"id": "jvasp-35124",
"created_at": "2022-09-04T14:37:30.423328Z",
"updated_at": "2022-09-04T14:37:30.423347Z",
"structure_string": "Ba1 Na2 Mg1 P2 O8\n1.0\n2.679885 -4.641698 -0.000000\n2.679885 4.641698 -0.000000\n-0.000000 0.000000 6.980119\nBa Na Mg P O\n1 2 1 2 8\ndirect\n0.000000 0.000000 0.500000 Ba\n0.666668 0.333334 0.178658 Na\n0.333334 0.666668 0.821342 Na\n0.000000 0.000000 0.000000 Mg\n0.666668 0.333334 0.740879 P\n0.333334 0.666668 0.259121 P\n0.666668 0.333334 0.520542 O\n0.333334 0.666668 0.479458 O\n0.645929 0.822966 0.179568 O\n0.177036 0.354073 0.179568 O\n0.177037 0.822965 0.179568 O\n0.354073 0.177036 0.820432 O\n0.822966 0.645929 0.820432 O\n0.822965 0.177037 0.820432 O\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ba",
"Na",
"Mg",
"P",
"O"
],
"chemical_system": "Ba-Mg-Na-O-P",
"density": 3.8015407546519118,
"density_atomic": 0.08061988505879869,
"volume": 173.65442768603984,
"volume_molar": 7.469795765161236,
"formula_full": "Ba1 Na2 Mg1 P2 O8",
"formula_reduced": "BaNa2Mg(PO4)2",
"formula_anonymous": "ABC2D2E8",
"energy_above_hull": 1.810643001428572,
"spacegroup": 164
},
{
"id": "jvasp-59282",
"created_at": "2022-09-04T14:38:08.963815Z",
"updated_at": "2022-09-04T14:38:08.963829Z",
"structure_string": "Li2 Ca2 Pr2 Te2 O12\n1.0\n0.000000 5.529126 0.005841\n5.728677 0.000000 0.000000\n0.000000 -5.446725 -7.837636\nLi Ca Pr Te O\n2 2 2 2 12\ndirect\n0.500260 0.264049 0.001530 Li\n0.500260 0.735952 0.501531 Li\n0.263462 0.694887 0.750452 Ca\n0.263462 0.305113 0.250452 Ca\n0.734139 0.192072 0.748039 Pr\n0.734139 0.807928 0.248039 Pr\n0.999382 0.743671 0.999236 Te\n0.999382 0.256329 0.499235 Te\n0.669040 0.064827 0.454239 O\n0.330148 0.555434 0.044923 O\n0.763469 0.535858 0.450694 O\n0.149099 0.284410 0.739547 O\n0.854505 0.224320 0.260097 O\n0.763469 0.464142 0.950694 O\n0.669040 0.935174 0.954239 O\n0.330147 0.444567 0.544923 O\n0.236499 0.027832 0.051247 O\n0.149100 0.715591 0.239547 O\n0.236499 0.972169 0.551247 O\n0.854505 0.775680 0.760097 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Li",
"Ca",
"Pr",
"Te",
"O"
],
"chemical_system": "Ca-Li-O-Pr-Te",
"density": 5.509298423793157,
"density_atomic": 0.08062190102934466,
"volume": 248.0715505916987,
"volume_molar": 7.469608981073354,
"formula_full": "Li2 Ca2 Pr2 Te2 O12",
"formula_reduced": "LiCaPrTeO6",
"formula_anonymous": "ABCDE6",
"energy_above_hull": 1.8250459036666664,
"spacegroup": 7
},
{
"id": "jvasp-67558",
"created_at": "2022-09-04T14:36:18.908561Z",
"updated_at": "2022-09-04T14:36:18.908582Z",
"structure_string": "Be1 Cd1 Co2\n1.0\n-2.057473 2.057473 2.930038\n2.057473 -2.057473 2.930038\n2.057473 2.057473 -2.930038\nBe Cd Co\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Be\n0.749999 0.250000 0.499999 Cd\n0.000000 0.000000 0.000000 Co\n0.250000 0.749999 0.499999 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Co"
],
"chemical_system": "Be-Cd-Co",
"density": 8.008871706624396,
"density_atomic": 0.08062290781771467,
"volume": 49.613690553606034,
"volume_molar": 7.469515703422447,
"formula_full": "Be1 Cd1 Co2",
"formula_reduced": "BeCdCo2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6996944125000004,
"spacegroup": 216
},
{
"id": "jvasp-38113",
"created_at": "2022-09-04T14:38:29.823322Z",
"updated_at": "2022-09-04T14:38:29.823340Z",
"structure_string": "Y2 W2 N6\n1.0\n-4.850065 -0.000000 2.762028\n-3.211496 4.564889 0.000000\n-4.835779 0.010050 -2.852208\nY W N\n2 2 6\ndirect\n0.266534 0.266534 0.200397 Y\n0.766534 0.766534 0.700397 Y\n0.507633 0.507633 0.477100 W\n0.007633 0.007633 0.977101 W\n0.322679 0.152913 0.792467 N\n0.652913 0.822680 0.292467 N\n0.731940 0.322680 0.792467 N\n0.231940 0.652913 0.292467 N\n0.822679 0.231940 0.292467 N\n0.152912 0.731940 0.792468 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Y",
"W",
"N"
],
"chemical_system": "N-W-Y",
"density": 8.428304635435119,
"density_atomic": 0.08062567901688716,
"volume": 124.02996318214555,
"volume_molar": 7.469258967404981,
"formula_full": "Y2 W2 N6",
"formula_reduced": "YWN3",
"formula_anonymous": "ABC3",
"energy_above_hull": 5.36203704,
"spacegroup": 161
},
{
"id": "jvasp-110373",
"created_at": "2022-09-04T14:38:37.610722Z",
"updated_at": "2022-09-04T14:38:37.610756Z",
"structure_string": "Na2 Li1 Ir1 F6\n1.0\n4.847764 0.000000 2.798858\n1.615921 4.570516 2.798858\n-0.000000 -0.000000 5.597716\nNa Li Ir F\n2 1 1 6\ndirect\n0.749999 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Na\n0.499999 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Ir\n0.745260 0.254740 0.254740 F\n0.254739 0.254740 0.745261 F\n0.254739 0.745261 0.745261 F\n0.254739 0.745261 0.254740 F\n0.745260 0.254740 0.745261 F\n0.745259 0.745261 0.254741 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Na",
"Li",
"Ir",
"F"
],
"chemical_system": "F-Ir-Li-Na",
"density": 4.80818035476022,
"density_atomic": 0.080627359358053,
"volume": 124.02737829465089,
"volume_molar": 7.469103301841565,
"formula_full": "Na2 Li1 Ir1 F6",
"formula_reduced": "Na2LiIrF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.1270330795,
"spacegroup": 225
},
{
"id": "jvasp-104732",
"created_at": "2022-09-04T14:36:50.472935Z",
"updated_at": "2022-09-04T14:36:50.472967Z",
"structure_string": "K1 Ti1 O2 F1\n1.0\n3.866977 -0.000000 0.000000\n0.000000 3.866977 0.000000\n0.000000 0.000000 4.147090\nK Ti O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Ti\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
"nsites": 5,
"nelements": 4,
"elements": [
"K",
"Ti",
"O",
"F"
],
"chemical_system": "F-K-O-Ti",
"density": 3.6942265449376737,
"density_atomic": 0.08062753191851073,
"volume": 62.01355642454043,
"volume_molar": 7.4690873163356954,
"formula_full": "K1 Ti1 O2 F1",
"formula_reduced": "KTiO2F",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.0043347231666668,
"spacegroup": 123
},
{
"id": "jvasp-75004",
"created_at": "2022-09-04T14:35:54.961920Z",
"updated_at": "2022-09-04T14:35:54.961938Z",
"structure_string": "Be1 Cu4 Re1\n1.0\n0.000000 3.338412 3.338412\n3.338412 -0.000000 3.338412\n3.338412 3.338412 0.000000\nBe Cu Re\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.625145 0.124564 0.625145 Cu\n0.124564 0.625145 0.625145 Cu\n0.625145 0.625145 0.625145 Cu\n0.625145 0.625145 0.124564 Cu\n0.250000 0.250000 0.250000 Re\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cu",
"Re"
],
"chemical_system": "Be-Cu-Re",
"density": 10.028487708744919,
"density_atomic": 0.08063089052119211,
"volume": 74.4131679709407,
"volume_molar": 7.468776198642142,
"formula_full": "Be1 Cu4 Re1",
"formula_reduced": "BeCu4Re",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3926043166666673,
"spacegroup": 216
},
{
"id": "jvasp-8330",
"created_at": "2022-09-04T14:37:06.135032Z",
"updated_at": "2022-09-04T14:37:06.135057Z",
"structure_string": "Y1 Mo1 O3\n1.0\n3.957969 0.000000 0.000000\n0.000000 3.957969 -0.000000\n0.000000 -0.000000 3.958330\nY Mo O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.500000 0.500000 Mo\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Y",
"Mo",
"O"
],
"chemical_system": "Mo-O-Y",
"density": 6.235301635629601,
"density_atomic": 0.08063307639554483,
"volume": 62.009292259575275,
"volume_molar": 7.4685737283028155,
"formula_full": "Y1 Mo1 O3",
"formula_reduced": "YMoO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.96873637,
"spacegroup": 221
}
]
}