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=928",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=926",
"results": [
{
"id": "jvasp-106874",
"created_at": "2022-09-04T14:38:04.443884Z",
"updated_at": "2022-09-04T14:38:04.443895Z",
"structure_string": "Zn1 Cu2 Sn1 Se4\n1.0\n5.252361 -0.001574 -4.698710\n-1.051246 5.146084 -4.698710\n0.001285 0.001574 7.047352\nZn Cu Sn Se\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Cu\n0.250000 0.749999 0.499999 Cu\n0.499999 0.500000 -0.000000 Sn\n0.624831 0.624831 0.520402 Se\n0.895572 0.375169 -0.000000 Se\n0.375167 0.895572 -0.000001 Se\n0.104428 0.104428 0.479597 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn-Zn",
"density": 5.4644193099908565,
"density_atomic": 0.041983828770290325,
"volume": 190.54955763494266,
"volume_molar": 14.343953222916968,
"formula_full": "Zn1 Cu2 Sn1 Se4",
"formula_reduced": "ZnCu2SnSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.4677383083333333,
"spacegroup": 121
},
{
"id": "jvasp-46444",
"created_at": "2022-09-04T14:38:14.297482Z",
"updated_at": "2022-09-04T14:38:14.297507Z",
"structure_string": "Li2 Cr1 Co1 O4\n1.0\n5.070887 -0.137450 0.000000\n2.095681 4.619622 -0.000000\n-3.583285 -2.241085 2.805423\nLi Cr Co O\n2 1 1 4\ndirect\n0.250000 0.750000 0.499999 Li\n0.500000 0.500000 0.000000 Li\n0.750000 0.250000 0.499999 Cr\n0.000000 0.000000 0.000000 Co\n0.519086 0.019086 0.499999 O\n0.230644 0.230644 0.000000 O\n0.980915 0.480915 0.499999 O\n0.769357 0.769356 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.712757678697731,
"density_atomic": 0.12025234348708591,
"volume": 66.52677002389673,
"volume_molar": 5.0079196674006825,
"formula_full": "Li2 Cr1 Co1 O4",
"formula_reduced": "Li2CrCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5463277875,
"spacegroup": 119
},
{
"id": "jvasp-26323",
"created_at": "2022-09-04T14:38:13.272871Z",
"updated_at": "2022-09-04T14:38:13.272904Z",
"structure_string": "Pr1 Bi2 I1 O4\n1.0\n4.022031 0.000000 -0.000000\n0.000000 4.022031 -0.000000\n-0.000000 -0.000000 9.712388\nPr Bi I O\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.263072 Bi\n0.500000 0.500000 0.736929 Bi\n0.000000 0.000000 0.500000 I\n0.000000 0.500000 0.847989 O\n0.000000 0.500000 0.152011 O\n0.500000 0.000000 0.847989 O\n0.500000 0.000000 0.152011 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Pr",
"Bi",
"I",
"O"
],
"chemical_system": "Bi-I-O-Pr",
"density": 7.924294494241274,
"density_atomic": 0.050918210958206686,
"volume": 157.11471101304687,
"volume_molar": 11.82708631484113,
"formula_full": "Pr1 Bi2 I1 O4",
"formula_reduced": "PrBi2IO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.6116998406249998,
"spacegroup": 123
},
{
"id": "jvasp-29619",
"created_at": "2022-09-04T14:38:09.518071Z",
"updated_at": "2022-09-04T14:38:09.518084Z",
"structure_string": "In2 Sb4 Se8 Br2\n1.0\n4.003904 0.000116 0.693532\n1.270325 9.586660 4.571958\n0.021968 -0.007854 11.776928\nIn Sb Se Br\n2 4 8 2\ndirect\n0.662410 0.112242 0.562822 In\n0.337588 0.887759 0.437178 In\n0.703568 0.687822 0.904968 Sb\n0.296430 0.312179 0.095033 Sb\n0.048608 0.678109 0.224713 Sb\n0.951390 0.321891 0.775287 Sb\n0.098067 0.828200 0.975622 Se\n0.678854 0.499200 0.143107 Se\n0.321144 0.500800 0.856893 Se\n0.462816 0.860676 0.213702 Se\n0.213792 0.916199 0.656193 Se\n0.537182 0.139325 0.786298 Se\n0.786206 0.083802 0.343807 Se\n0.901931 0.171801 0.024378 Se\n0.102159 0.327373 0.468194 Br\n0.897839 0.672628 0.531806 Br\n",
"nsites": 16,
"nelements": 4,
"elements": [
"In",
"Sb",
"Se",
"Br"
],
"chemical_system": "Br-In-Sb-Se",
"density": 5.540196460780698,
"density_atomic": 0.0353954534773725,
"volume": 452.0354573286773,
"volume_molar": 17.01388220340168,
"formula_full": "In2 Sb4 Se8 Br2",
"formula_reduced": "InSb2Se4Br",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.1415137177083332,
"spacegroup": 12
},
{
"id": "jvasp-9770",
"created_at": "2022-09-04T14:38:13.982476Z",
"updated_at": "2022-09-04T14:38:13.982496Z",
"structure_string": "Na2 Nb2 Cu4 S8\n1.0\n5.299724 -0.000000 -1.598049\n0.000000 7.480745 0.000000\n-0.068124 0.000000 9.361028\nNa Nb Cu S\n2 2 4 8\ndirect\n0.720755 0.750000 0.656860 Na\n0.063896 0.250000 0.343140 Na\n0.882723 0.750000 0.228779 Nb\n0.653944 0.250000 0.771221 Nb\n0.748715 0.000000 -0.000000 Cu\n0.748715 0.500000 -0.000000 Cu\n0.375051 0.750000 0.215593 Cu\n0.159459 0.250000 0.784408 Cu\n0.238224 0.750000 0.430314 S\n0.807910 0.250000 0.569687 S\n0.629046 0.001070 0.217915 S\n0.411132 -0.001070 0.782085 S\n0.001898 0.250000 0.991350 S\n0.010548 0.750000 0.008650 S\n0.411132 0.501070 0.782085 S\n0.629046 0.498930 0.217915 S\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Na",
"Nb",
"Cu",
"S"
],
"chemical_system": "Cu-Na-Nb-S",
"density": 3.3294753205956664,
"density_atomic": 0.04320682881978197,
"volume": 370.3118335005994,
"volume_molar": 13.93793741521433,
"formula_full": "Na2 Nb2 Cu4 S8",
"formula_reduced": "NaNb(CuS2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 1.5781586625,
"spacegroup": 40
},
{
"id": "jvasp-44643",
"created_at": "2022-09-04T14:38:09.136656Z",
"updated_at": "2022-09-04T14:38:09.136682Z",
"structure_string": "Li2 Cr1 Ni1 O4\n1.0\n5.043899 -0.181378 -0.000000\n2.044375 4.614580 0.000000\n-3.544137 -2.216602 2.828355\nLi Cr Ni O\n2 1 1 4\ndirect\n0.249999 0.750000 0.500001 Li\n0.500000 0.500000 -0.000000 Li\n0.750000 0.250000 0.500001 Cr\n0.000000 0.000000 0.000000 Ni\n0.516698 0.016698 0.500001 O\n0.232412 0.232412 -0.000000 O\n0.983302 0.483302 0.500001 O\n0.767588 0.767588 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Ni",
"O"
],
"chemical_system": "Cr-Li-Ni-O",
"density": 4.681908018953499,
"density_atomic": 0.11961709156061877,
"volume": 66.8800745414029,
"volume_molar": 5.0345152865952585,
"formula_full": "Li2 Cr1 Ni1 O4",
"formula_reduced": "Li2CrNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.222826725,
"spacegroup": 119
},
{
"id": "jvasp-47054",
"created_at": "2022-09-04T14:38:08.182000Z",
"updated_at": "2022-09-04T14:38:08.182027Z",
"structure_string": "Li2 Fe1 Ni1 O4\n1.0\n4.991119 -0.244653 0.000000\n1.964381 4.594816 0.000000\n-3.477750 -2.175081 2.854015\nLi Fe Ni O\n2 1 1 4\ndirect\n0.250000 0.750001 0.500001 Li\n0.500000 0.500001 -0.000000 Li\n0.750000 0.250001 0.500001 Fe\n0.000000 0.000000 0.000000 Ni\n0.519991 0.019992 0.500001 O\n0.235270 0.235271 -0.000000 O\n0.980009 0.480011 0.500001 O\n0.764729 0.764731 -0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Ni",
"O"
],
"chemical_system": "Fe-Li-Ni-O",
"density": 4.781513978648869,
"density_atomic": 0.11971832254895921,
"volume": 66.8235223286592,
"volume_molar": 5.030258219277358,
"formula_full": "Li2 Fe1 Ni1 O4",
"formula_reduced": "Li2FeNiO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0550252375,
"spacegroup": 119
},
{
"id": "jvasp-46244",
"created_at": "2022-09-04T14:38:08.513013Z",
"updated_at": "2022-09-04T14:38:08.513039Z",
"structure_string": "Li4 Al2 Co2 O8\n1.0\n4.963746 0.000000 0.000000\n0.000000 5.454581 0.000000\n0.000000 0.000000 6.210726\nLi Al Co O\n4 2 2 8\ndirect\n0.006833 0.664672 0.249860 Li\n0.506833 0.335328 0.250140 Li\n0.006833 0.664672 0.750141 Li\n0.506833 0.335328 0.749860 Li\n0.501594 0.837349 0.000000 Al\n0.001593 0.162651 0.500000 Al\n0.004639 0.171815 0.000000 Co\n0.504640 0.828185 0.500000 Co\n0.141147 0.847760 0.000000 O\n0.624722 0.145170 0.000000 O\n0.107117 0.318908 0.261266 O\n0.607117 0.681092 0.238735 O\n0.124721 0.854830 0.500000 O\n0.641148 0.152239 0.500000 O\n0.607117 0.681092 0.761266 O\n0.107117 0.318908 0.738735 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Al",
"Co",
"O"
],
"chemical_system": "Al-Co-Li-O",
"density": 3.2349282406491344,
"density_atomic": 0.09514953438130672,
"volume": 168.1563667550999,
"volume_molar": 6.329133189308726,
"formula_full": "Li4 Al2 Co2 O8",
"formula_reduced": "Li2AlCoO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.0591422125000003,
"spacegroup": 31
},
{
"id": "jvasp-46180",
"created_at": "2022-09-04T14:38:13.582629Z",
"updated_at": "2022-09-04T14:38:13.582644Z",
"structure_string": "Li4 Ni2 B2 O8\n1.0\n3.434199 3.580524 0.000000\n-3.434199 3.580524 0.000000\n0.000000 0.000000 6.037588\nLi Ni B O\n4 2 2 8\ndirect\n0.321107 0.678892 0.500000 Li\n0.190412 0.190412 0.750000 Li\n0.809586 0.809586 0.250000 Li\n0.678892 0.321107 0.000000 Li\n0.185664 0.185664 0.250000 Ni\n0.814334 0.814334 0.750000 Ni\n0.315748 0.684250 0.000000 B\n0.684250 0.315748 0.500000 B\n0.201069 0.804543 0.204639 O\n0.195456 0.798930 0.795361 O\n0.281584 0.385332 0.006083 O\n0.614667 0.718415 0.993917 O\n0.385332 0.281584 0.493917 O\n0.718415 0.614667 0.506084 O\n0.798930 0.195456 0.704639 O\n0.804543 0.201069 0.295361 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Ni",
"B",
"O"
],
"chemical_system": "B-Li-Ni-O",
"density": 3.2965822524073323,
"density_atomic": 0.10775922682394504,
"volume": 148.4791648156542,
"volume_molar": 5.588515190294432,
"formula_full": "Li4 Ni2 B2 O8",
"formula_reduced": "Li2NiBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.1724473729166665,
"spacegroup": 20
},
{
"id": "jvasp-44710",
"created_at": "2022-09-04T14:38:09.567540Z",
"updated_at": "2022-09-04T14:38:09.567569Z",
"structure_string": "Li2 Mn1 Fe1 O4\n1.0\n0.000000 4.869969 0.071093\n2.842643 0.000000 0.000000\n0.000000 -1.550178 -4.775434\nLi Mn Fe O\n2 1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.499999 0.000000 Li\n-0.000000 0.499999 0.500000 Mn\n0.500000 0.000000 0.500000 Fe\n0.759779 0.000000 0.271452 O\n0.256820 0.499999 0.274154 O\n0.240221 0.000000 0.728548 O\n0.743180 0.499999 0.725846 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.761420992446381,
"density_atomic": 0.1215882346779994,
"volume": 65.79583971414915,
"volume_molar": 4.952897602262555,
"formula_full": "Li2 Mn1 Fe1 O4",
"formula_reduced": "Li2MnFeO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.484753342672413,
"spacegroup": 10
},
{
"id": "jvasp-33892",
"created_at": "2022-09-04T14:38:05.230679Z",
"updated_at": "2022-09-04T14:38:05.230705Z",
"structure_string": "H4 C2 S2 O8\n1.0\n-1.635180 -4.338253 -0.000000\n-3.724500 3.881138 0.000000\n-0.000000 0.000000 -7.748613\nH C S O\n4 2 2 8\ndirect\n0.748667 0.846955 0.680642 H\n0.251332 0.153045 0.180642 H\n0.901711 0.153046 0.819358 H\n0.098288 0.846955 0.319358 H\n0.955760 0.000000 0.750000 C\n0.044239 0.000000 0.250000 C\n0.172235 0.344471 0.500000 S\n0.827764 0.655529 0.000000 S\n0.919267 0.135875 0.367915 O\n0.080732 0.864126 0.867914 O\n0.783392 0.864126 0.132085 O\n0.216607 0.135875 0.632085 O\n0.472454 0.485364 0.417078 O\n0.527545 0.514636 0.917078 O\n0.987090 0.514636 0.082922 O\n0.012909 0.485364 0.582921 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 2.096701072776388,
"density_atomic": 0.09175564026376365,
"volume": 174.37620133221125,
"volume_molar": 6.563237685104223,
"formula_full": "H4 C2 S2 O8",
"formula_reduced": "H2CSO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 3.2087705,
"spacegroup": 20
},
{
"id": "jvasp-44675",
"created_at": "2022-09-04T14:38:06.262658Z",
"updated_at": "2022-09-04T14:38:06.262681Z",
"structure_string": "Li4 Mn2 Cr2 O8\n1.0\n-2.908803 2.874298 4.363274\n2.874298 -2.908803 4.363274\n2.896031 2.896031 -4.385765\nLi Mn Cr O\n4 2 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500001 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000001 Li\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.775607 0.253750 0.992197 O\n0.239463 0.251275 0.972696 O\n0.746251 0.224394 0.507804 O\n0.748725 0.760538 0.527305 O\n0.251275 0.239462 0.472697 O\n0.760538 0.748725 0.027305 O\n0.253750 0.775606 0.492197 O\n0.224394 0.746251 0.007805 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mn-O",
"density": 4.224888650423268,
"density_atomic": 0.11013412084460651,
"volume": 145.2774115532748,
"volume_molar": 5.468006385139194,
"formula_full": "Li4 Mn2 Cr2 O8",
"formula_reduced": "Li2MnCrO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.657314830172414,
"spacegroup": 15
}
]
}