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=-created_at&page=182",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=180",
"results": [
{
"id": "jvasp-120418",
"created_at": "2022-09-04T14:38:50.508978Z",
"updated_at": "2022-09-04T14:38:50.509009Z",
"structure_string": "Na3 La5 Cl18\n1.0\n7.574853 0.000000 0.000000\n-3.787427 6.560015 0.000000\n-0.000000 -0.000000 12.981480\nNa La Cl\n3 5 18\ndirect\n0.000000 0.000000 0.500000 Na\n0.666666 0.333333 0.343445 Na\n0.666666 0.333333 0.656555 Na\n0.000000 0.000000 0.832797 La\n0.000000 0.000000 0.167203 La\n0.333333 0.666666 0.336568 La\n0.333333 0.666666 -0.000000 La\n0.333333 0.666666 0.663432 La\n0.369682 0.419864 0.834029 Cl\n0.572725 0.957597 0.500000 Cl\n0.580135 0.949817 0.165971 Cl\n0.580135 0.949817 0.834029 Cl\n0.274977 0.023579 0.670141 Cl\n0.274977 0.023579 0.329859 Cl\n0.278227 0.029773 -0.000000 Cl\n0.042402 0.615128 0.500000 Cl\n0.748601 0.725022 0.329859 Cl\n0.050182 0.630317 0.834029 Cl\n0.748601 0.725022 0.670141 Cl\n0.369682 0.419864 0.165971 Cl\n0.751545 0.721773 -0.000000 Cl\n0.976421 0.251398 0.670141 Cl\n0.976421 0.251398 0.329859 Cl\n0.970226 0.248454 -0.000000 Cl\n0.050182 0.630317 0.165971 Cl\n0.384871 0.427274 0.500000 Cl\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Na",
"La",
"Cl"
],
"chemical_system": "Cl-La-Na",
"density": 3.6081587107833104,
"density_atomic": 0.04030603686410228,
"volume": 645.0646608512471,
"volume_molar": 14.941039180568737,
"formula_full": "Na3 La5 Cl18",
"formula_reduced": "Na3La5Cl18",
"formula_anonymous": "A3B5C18",
"energy_above_hull": 0.3547594313461539,
"spacegroup": 174
},
{
"id": "jvasp-119303",
"created_at": "2022-09-04T14:38:50.507206Z",
"updated_at": "2022-09-04T14:38:50.507236Z",
"structure_string": "Ti12 Al8 Ni4 O4\n1.0\n6.956696 -0.000000 4.016450\n2.318899 6.558836 4.016450\n-0.000000 -0.000000 8.032900\nTi Al Ni O\n12 8 4 4\ndirect\n0.565287 0.934714 0.565286 Ti\n0.315287 0.684714 0.684713 Ti\n0.684714 0.315287 0.315286 Ti\n0.315287 0.684714 0.315286 Ti\n0.684714 0.684714 0.315286 Ti\n0.315287 0.315287 0.684713 Ti\n0.565287 0.565287 0.934713 Ti\n0.934714 0.565287 0.565286 Ti\n0.565287 0.934714 0.934713 Ti\n0.934714 0.934714 0.565286 Ti\n0.684714 0.315287 0.684713 Ti\n0.934714 0.565287 0.934713 Ti\n0.916818 0.916818 0.916817 Al\n0.000452 0.333182 0.333182 Al\n0.333182 0.333182 0.000452 Al\n0.333182 0.000452 0.333182 Al\n0.249548 0.916818 0.916817 Al\n0.916818 0.249548 0.916817 Al\n0.333182 0.333182 0.333182 Al\n0.916818 0.916818 0.249547 Al\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n0.625000 0.125000 0.625000 O\n0.625000 0.625000 0.625000 O\n0.125000 0.625000 0.625000 O\n0.625000 0.625000 0.125000 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Ti",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O-Ti",
"density": 4.933848272149587,
"density_atomic": 0.07639340599747717,
"volume": 366.5237808735047,
"volume_molar": 7.88306357252729,
"formula_full": "Ti12 Al8 Ni4 O4",
"formula_reduced": "Ti3Al2NiO",
"formula_anonymous": "ABC2D3",
"energy_above_hull": 2.8079266428571428,
"spacegroup": 227
},
{
"id": "jvasp-116078",
"created_at": "2022-09-04T14:38:50.505792Z",
"updated_at": "2022-09-04T14:38:50.505809Z",
"structure_string": "Sb1 P1 F1\n1.0\n4.571876 -0.000000 -0.000000\n-2.285938 3.959361 0.000000\n0.000000 -0.000000 2.938160\nSb P F\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Sb\n0.333334 0.666667 0.000000 P\n0.000000 0.000000 0.000000 F\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sb",
"P",
"F"
],
"chemical_system": "F-P-Sb",
"density": 5.3617400843443,
"density_atomic": 0.05640612545706276,
"volume": 53.18571299997636,
"volume_molar": 10.676395003560652,
"formula_full": "Sb1 P1 F1",
"formula_reduced": "SbPF",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1162672941666667,
"spacegroup": 187
},
{
"id": "jvasp-117886",
"created_at": "2022-09-04T14:38:50.505778Z",
"updated_at": "2022-09-04T14:38:50.505799Z",
"structure_string": "Sc1 C1 Cl1\n1.0\n4.397438 -0.000000 -0.000000\n-2.198719 3.808293 -0.000000\n0.000000 0.000000 3.239604\nSc C Cl\n1 1 1\ndirect\n0.666668 0.333334 0.000000 Sc\n0.000000 0.000000 0.000000 C\n0.333334 0.666667 0.000000 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"C",
"Cl"
],
"chemical_system": "C-Cl-Sc",
"density": 2.8287282804910743,
"density_atomic": 0.05529670439255992,
"volume": 54.25278111879024,
"volume_molar": 10.890596150627504,
"formula_full": "Sc1 C1 Cl1",
"formula_reduced": "ScCCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8892931058333327,
"spacegroup": 187
},
{
"id": "jvasp-118087",
"created_at": "2022-09-04T14:38:50.504430Z",
"updated_at": "2022-09-04T14:38:50.504458Z",
"structure_string": "Sc1 N1 Cl1\n1.0\n4.233418 0.000000 0.000000\n0.000000 4.233418 0.000000\n0.000000 0.000000 8.466836\nSc N Cl\n1 1 1\ndirect\n0.000000 0.000000 0.753561 Sc\n0.000000 0.000000 0.018786 N\n0.000000 0.000000 0.219585 Cl\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 1.0332120397559552,
"density_atomic": 0.019770506832558536,
"volume": 151.74117818059824,
"volume_molar": 30.460224469726775,
"formula_full": "Sc1 N1 Cl1",
"formula_reduced": "ScNCl",
"formula_anonymous": "ABC",
"energy_above_hull": 2.756087522499999,
"spacegroup": 99
},
{
"id": "jvasp-119275",
"created_at": "2022-09-04T14:38:50.501475Z",
"updated_at": "2022-09-04T14:38:50.501501Z",
"structure_string": "Li8 Cr4 O12\n1.0\n2.824267 -0.005050 0.540134\n1.319998 9.478141 0.836691\n0.017203 0.016607 7.566880\nLi Cr O\n8 4 12\ndirect\n0.333299 0.000001 0.333327 Li\n0.333353 0.500001 0.833335 Li\n0.333328 0.249995 0.083323 Li\n0.333268 0.750000 0.583347 Li\n0.993583 0.756211 0.257046 Li\n0.993494 0.256219 0.757028 Li\n0.673272 0.243788 0.409618 Li\n0.673327 0.743784 0.909640 Li\n-0.009804 0.002807 0.016663 Cr\n0.676341 0.997194 0.649999 Cr\n-0.009721 0.502811 0.516668 Cr\n0.676474 0.497190 0.149997 Cr\n0.843109 0.118393 0.195262 O\n0.502893 0.885291 0.108728 O\n0.502958 0.385295 0.608726 O\n0.163787 0.614705 0.057941 O\n0.163656 0.114709 0.557936 O\n0.159903 0.393122 0.287094 O\n0.159798 0.893125 0.787095 O\n0.506829 0.606878 0.379572 O\n0.506734 0.106876 0.879569 O\n0.823435 0.881606 0.471403 O\n0.823528 0.381607 0.971400 O\n0.843164 0.618395 0.695267 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.73539286257681,
"density_atomic": 0.11852366973695509,
"volume": 202.49119904289395,
"volume_molar": 5.080960430406186,
"formula_full": "Li8 Cr4 O12",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.103882983333334,
"spacegroup": 12
},
{
"id": "jvasp-119743",
"created_at": "2022-09-04T14:38:50.500678Z",
"updated_at": "2022-09-04T14:38:50.500700Z",
"structure_string": "V6 O6 F12\n1.0\n5.035259 -0.000791 -0.025062\n-2.516673 4.353381 -0.014665\n0.007756 -0.022615 13.162768\nV O F\n6 6 12\ndirect\n0.011601 0.017388 0.500873 V\n0.980407 0.979001 0.998320 V\n0.602566 0.305499 0.165508 V\n0.301911 0.694466 0.334796 V\n0.732424 0.359834 0.667013 V\n0.354223 0.661628 0.835369 V\n0.937471 0.269793 0.582043 O\n0.073511 0.748089 0.417111 O\n0.663537 0.735726 0.917269 O\n0.321905 0.255475 0.084326 O\n0.391379 0.001284 0.250319 O\n0.009699 0.595395 0.749031 O\n0.933451 0.649438 0.085415 F\n-0.003017 0.391763 0.250505 F\n0.339494 0.065069 0.585438 F\n0.051636 0.330273 0.916722 F\n0.286821 0.349734 0.413953 F\n0.620921 -0.005308 0.745791 F\n0.715058 0.049435 0.087495 F\n0.399779 0.378314 0.749209 F\n0.607732 0.611201 0.249792 F\n0.277262 0.942829 0.915923 F\n0.720618 0.665934 0.584105 F\n0.669637 0.947749 0.413673 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.6239235390867894,
"density_atomic": 0.08318755350040637,
"volume": 288.50469800007716,
"volume_molar": 7.239232921990646,
"formula_full": "V6 O6 F12",
"formula_reduced": "VOF2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.90742456625,
"spacegroup": 1
},
{
"id": "jvasp-118892",
"created_at": "2022-09-04T14:38:50.500523Z",
"updated_at": "2022-09-04T14:38:50.500545Z",
"structure_string": "Li2 F1\n1.0\n2.705316 0.000000 -0.121915\n0.000000 2.906310 0.000000\n-0.238904 0.000000 4.955475\nLi F\n2 1\ndirect\n-0.083643 0.000000 -0.114909 Li\n0.016968 0.000000 0.381585 Li\n0.466676 0.000000 0.133325 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Li",
"F"
],
"chemical_system": "F-Li",
"density": 1.404383034512941,
"density_atomic": 0.07716504204287462,
"volume": 38.87770835831506,
"volume_molar": 7.804234405333394,
"formula_full": "Li2 F1",
"formula_reduced": "Li2F",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6870533333333335,
"spacegroup": 10
},
{
"id": "jvasp-120829",
"created_at": "2022-09-04T14:38:50.496240Z",
"updated_at": "2022-09-04T14:38:50.496257Z",
"structure_string": "Mg1 B1 H1\n1.0\n3.884645 -0.000000 -0.000000\n-1.942322 3.364201 0.000000\n0.000000 0.000000 2.774221\nMg B H\n1 1 1\ndirect\n0.666665 0.333333 0.000000 Mg\n0.000000 0.000000 0.000000 B\n0.333332 0.666666 0.000000 H\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 1.654511851863817,
"density_atomic": 0.08274598450048985,
"volume": 36.25553575934842,
"volume_molar": 7.277864655733656,
"formula_full": "Mg1 B1 H1",
"formula_reduced": "MgBH",
"formula_anonymous": "ABC",
"energy_above_hull": 2.238603877777778,
"spacegroup": 187
},
{
"id": "jvasp-119309",
"created_at": "2022-09-04T14:38:50.494179Z",
"updated_at": "2022-09-04T14:38:50.494209Z",
"structure_string": "Rb6 Mn6 O12\n1.0\n6.530789 -0.012938 0.156892\n1.457740 7.393846 1.686464\n-0.036795 -0.004073 8.516458\nRb Mn O\n6 6 12\ndirect\n0.159044 0.112693 0.118504 Rb\n0.840960 0.887310 0.881501 Rb\n0.822217 0.874215 0.468743 Rb\n0.177781 0.125785 0.531256 Rb\n0.017332 0.456959 0.764753 Rb\n0.982668 0.543043 0.235240 Rb\n0.597753 0.320595 0.117749 Mn\n0.400050 0.675037 0.549944 Mn\n0.402246 0.679403 0.882251 Mn\n0.582931 0.318951 0.785078 Mn\n0.417070 0.681050 0.214922 Mn\n0.599950 0.324964 0.450057 Mn\n0.603274 0.629192 0.721958 O\n0.227313 0.779082 0.362542 O\n0.772690 0.220925 0.637456 O\n0.791146 0.237011 0.298593 O\n0.208852 0.762987 0.701407 O\n0.226132 0.770909 0.037020 O\n0.773874 0.229093 0.962980 O\n0.611191 0.615618 0.394841 O\n0.388808 0.384381 0.605158 O\n0.387992 0.381842 0.945011 O\n0.612011 0.618152 0.054988 O\n0.396725 0.370812 0.278042 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Rb",
"Mn",
"O"
],
"chemical_system": "Mn-O-Rb",
"density": 4.17438387992065,
"density_atomic": 0.058324942045139216,
"volume": 411.48776421287766,
"volume_molar": 10.325155154615167,
"formula_full": "Rb6 Mn6 O12",
"formula_reduced": "RbMnO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.5793510603448275,
"spacegroup": 2
},
{
"id": "jvasp-123362",
"created_at": "2022-09-04T14:38:50.483859Z",
"updated_at": "2022-09-04T14:38:50.483898Z",
"structure_string": "U1 Ag3\n1.0\n4.455618 -0.000000 -0.000000\n-0.000000 4.455618 0.000000\n-0.000000 0.000000 4.455618\nU Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 U\n0.000000 0.500000 0.500000 Ag\n0.500000 0.000000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"U",
"Ag"
],
"chemical_system": "Ag-U",
"density": 10.543341178959942,
"density_atomic": 0.04522058143029472,
"volume": 88.4552978640003,
"volume_molar": 13.317256367618429,
"formula_full": "U1 Ag3",
"formula_reduced": "UAg3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.4111519450000003,
"spacegroup": 221
},
{
"id": "jvasp-119730",
"created_at": "2022-09-04T14:38:50.474133Z",
"updated_at": "2022-09-04T14:38:50.474157Z",
"structure_string": "Li4 V1 Te3 O12\n1.0\n8.804499 -0.000000 0.000000\n0.000000 4.945177 0.293830\n0.000000 0.034522 5.173005\nLi V Te O\n4 1 3 12\ndirect\n0.305877 0.000000 -0.000000 Li\n0.133172 0.500000 -0.000000 Li\n0.702222 -0.000000 0.500000 Li\n0.824229 0.500000 0.500000 Li\n0.895659 0.000000 -0.000000 V\n0.602501 0.500000 -0.000000 Te\n0.076014 -0.000000 0.500000 Te\n0.397875 0.500000 0.500000 Te\n0.055440 0.789001 0.191424 O\n0.581090 0.292010 0.334491 O\n0.905584 0.198940 0.312345 O\n0.225047 0.219947 0.308321 O\n0.225047 0.780053 0.691678 O\n0.441722 0.278192 0.853942 O\n0.581090 0.707990 0.665508 O\n0.055440 0.210999 0.808575 O\n0.441722 0.721808 0.146057 O\n0.751806 0.259640 0.850916 O\n0.905584 0.801060 0.687654 O\n0.751806 0.740360 0.149083 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.819882086372904,
"density_atomic": 0.08883269744013375,
"volume": 225.14232457568258,
"volume_molar": 6.779193848141839,
"formula_full": "Li4 V1 Te3 O12",
"formula_reduced": "Li4V(TeO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.367264475,
"spacegroup": 3
}
]
}