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=-volume&page=832",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=830",
"results": [
{
"id": "jvasp-44438",
"created_at": "2022-09-04T14:36:32.859962Z",
"updated_at": "2022-09-04T14:36:32.859989Z",
"structure_string": "Li4 Co6 Sn2 O16\n1.0\n5.748433 0.000027 -0.000005\n-2.874193 4.978248 0.000010\n0.000009 -0.000015 9.459427\nLi Co Sn O\n4 6 2 16\ndirect\n0.333331 0.666679 0.893424 Li\n-0.000052 -0.000011 0.996026 Li\n0.000053 0.000042 0.496026 Li\n0.666670 0.333349 0.393424 Li\n0.830718 0.661416 0.715054 Co\n0.338616 0.169317 0.715054 Co\n0.830715 0.169323 0.715056 Co\n0.169286 0.338608 0.215055 Co\n0.169283 0.830698 0.215054 Co\n0.661385 0.830702 0.215054 Co\n0.333367 0.666688 0.493520 Sn\n0.666635 0.333323 0.993520 Sn\n0.311704 0.155864 0.104491 O\n0.844103 0.688246 0.104507 O\n0.666680 0.333354 0.612026 O\n0.515328 0.030653 0.830817 O\n0.515328 0.484705 0.830818 O\n0.688297 0.844160 0.604492 O\n0.484673 0.515325 0.330816 O\n0.030651 0.515341 0.330834 O\n0.155893 0.311772 0.604505 O\n0.000012 0.000010 0.807794 O\n-0.000012 -0.000003 0.307794 O\n0.333321 0.666673 0.112026 O\n0.969350 0.484691 0.830834 O\n0.155899 0.844142 0.604507 O\n0.484673 0.969377 0.330817 O\n0.844107 0.155878 0.104506 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-O-Sn",
"density": 5.36602560807665,
"density_atomic": 0.10343464346477078,
"volume": 270.70233977783886,
"volume_molar": 5.822169979298189,
"formula_full": "Li4 Co6 Sn2 O16",
"formula_reduced": "Li2Co3SnO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6182830285714283,
"spacegroup": 186
},
{
"id": "jvasp-30479",
"created_at": "2022-09-04T14:37:07.427039Z",
"updated_at": "2022-09-04T14:37:07.427053Z",
"structure_string": "Lu4 H8 Cl4 O8\n1.0\n12.601651 0.000000 0.000000\n0.000000 3.486115 -0.000000\n0.000000 -0.000000 6.161934\nLu H Cl O\n4 8 4 8\ndirect\n0.051657 0.749999 0.249677 Lu\n0.551658 0.749999 0.250323 Lu\n0.448343 0.249999 0.749676 Lu\n0.948342 0.249999 0.750323 Lu\n0.620270 0.749999 0.810533 H\n0.120271 0.749999 0.689466 H\n0.654650 0.249999 0.545946 H\n0.154650 0.249999 0.954052 H\n0.879730 0.249999 0.310533 H\n0.379729 0.249999 0.189467 H\n0.845349 0.749999 0.045946 H\n0.345349 0.749999 0.454053 H\n0.712325 0.249999 0.115881 Cl\n0.212325 0.249999 0.384118 Cl\n0.787674 0.749999 0.615881 Cl\n0.287675 0.749999 0.884117 Cl\n0.547800 0.749999 0.869980 O\n0.080207 0.249999 0.001387 O\n0.452200 0.249999 0.130019 O\n0.952200 0.249999 0.369981 O\n0.580208 0.249999 0.498613 O\n0.419793 0.749999 0.501387 O\n0.047801 0.749999 0.630019 O\n0.919792 0.749999 0.998612 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Lu",
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-Lu-O",
"density": 5.997713440623095,
"density_atomic": 0.08865945189952136,
"volume": 270.6987183633781,
"volume_molar": 6.792440773066081,
"formula_full": "Lu4 H8 Cl4 O8",
"formula_reduced": "LuH2ClO2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.7380978029166667,
"spacegroup": 62
},
{
"id": "jvasp-38261",
"created_at": "2022-09-04T14:37:56.282802Z",
"updated_at": "2022-09-04T14:37:56.282827Z",
"structure_string": "Rb3 Ac1\n1.0\n-3.112698 3.112698 6.984121\n3.112698 -3.112698 6.984121\n3.112698 3.112698 -6.984121\nRb Ac\n3 1\ndirect\n0.750000 0.250000 0.500000 Rb\n0.250000 0.750000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 Ac\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Ac"
],
"chemical_system": "Ac-Rb",
"density": 2.965603452547371,
"density_atomic": 0.014777952687758535,
"volume": 270.6734880342011,
"volume_molar": 40.75084612355337,
"formula_full": "Rb3 Ac1",
"formula_reduced": "Rb3Ac",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 139
},
{
"id": "jvasp-96907",
"created_at": "2022-09-04T14:36:40.842906Z",
"updated_at": "2022-09-04T14:36:40.842934Z",
"structure_string": "Fe2 Mo6 S8\n1.0\n6.478066 0.025115 -0.143317\n-0.668077 6.410866 -0.849425\n0.007136 -0.015610 6.516788\nFe Mo S\n2 6 8\ndirect\n0.994058 0.148323 0.908103 Fe\n0.005943 0.851678 0.091896 Fe\n0.778441 0.589806 0.450397 Mo\n0.221560 0.410195 0.549602 Mo\n0.456559 0.781109 0.599110 Mo\n0.543441 0.218892 0.400890 Mo\n0.584011 0.462868 0.776171 Mo\n0.415990 0.537134 0.223828 Mo\n0.737450 0.358688 0.118099 S\n0.262551 0.641313 0.881901 S\n0.796059 0.813937 0.786577 S\n0.203942 0.186065 0.213422 S\n0.641419 0.859809 0.268128 S\n0.358582 0.140192 0.731872 S\n0.141912 0.726254 0.387537 S\n0.858089 0.273748 0.612463 S\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"Mo",
"S"
],
"chemical_system": "Fe-Mo-S",
"density": 5.790431323565569,
"density_atomic": 0.05911243100691944,
"volume": 270.6706479069878,
"volume_molar": 10.187604633101751,
"formula_full": "Fe2 Mo6 S8",
"formula_reduced": "FeMo3S4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.1411304,
"spacegroup": 2
},
{
"id": "jvasp-88073",
"created_at": "2022-09-04T14:36:05.350935Z",
"updated_at": "2022-09-04T14:36:05.350958Z",
"structure_string": "Pr4 S8\n1.0\n4.076402 0.000000 0.000000\n0.000000 8.106895 0.000434\n0.000000 0.011901 8.190416\nPr S\n4 8\ndirect\n0.212522 0.129530 0.275618 Pr\n0.287478 0.629530 0.275618 Pr\n0.787478 0.870469 0.724382 Pr\n0.712522 0.370469 0.724382 Pr\n0.740135 0.374987 0.366789 S\n0.842265 0.607739 0.002232 S\n0.240135 0.125012 0.633211 S\n0.259864 0.625012 0.633211 S\n0.759864 0.874987 0.366789 S\n0.342265 0.892260 0.997768 S\n0.657734 0.107739 0.002232 S\n0.157735 0.392260 0.997768 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Pr",
"S"
],
"chemical_system": "Pr-S",
"density": 5.031589747251431,
"density_atomic": 0.04433469908818059,
"volume": 270.66835338460976,
"volume_molar": 13.583357694662855,
"formula_full": "Pr4 S8",
"formula_reduced": "PrS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9823866166666668,
"spacegroup": 14
},
{
"id": "jvasp-49201",
"created_at": "2022-09-04T14:37:18.001319Z",
"updated_at": "2022-09-04T14:37:18.001345Z",
"structure_string": "Na2 Ta6 O16\n1.0\n6.188572 -0.000000 -3.405079\n-2.001606 5.998292 -3.637827\n-0.011651 -0.009760 7.305085\nNa Ta O\n2 6 16\ndirect\n0.250000 -0.000000 -0.000000 Na\n0.750000 -0.000000 -0.000000 Na\n0.250000 0.500000 -0.000000 Ta\n0.263525 0.501885 0.527052 Ta\n0.736474 0.498115 0.472947 Ta\n0.236474 0.974832 0.472946 Ta\n0.763526 0.025167 0.527052 Ta\n0.749999 0.500000 -0.000001 Ta\n0.931445 0.314682 0.862891 O\n0.068554 0.685318 0.137108 O\n0.568554 0.451790 0.137108 O\n0.431445 0.548210 0.862891 O\n0.438578 0.836465 0.285455 O\n0.827114 0.837389 0.654228 O\n0.172886 0.162610 0.345770 O\n0.653122 0.551010 0.714543 O\n0.938578 0.448990 0.285455 O\n0.846877 0.836465 0.285454 O\n0.561421 0.163534 0.714544 O\n0.346878 0.448990 0.285455 O\n0.061421 0.551010 0.714544 O\n0.153122 0.163534 0.714544 O\n0.327114 0.816840 0.654229 O\n0.672885 0.183160 0.345770 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Ta",
"O"
],
"chemical_system": "Na-O-Ta",
"density": 8.513895999784856,
"density_atomic": 0.08867644739693797,
"volume": 270.64683695062786,
"volume_molar": 6.791138951522708,
"formula_full": "Na2 Ta6 O16",
"formula_reduced": "NaTa3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.689552883333334,
"spacegroup": 72
},
{
"id": "jvasp-20307",
"created_at": "2022-09-04T14:38:31.625005Z",
"updated_at": "2022-09-04T14:38:31.625038Z",
"structure_string": "Ce2 Be26\n1.0\n6.287692 -0.000000 3.630201\n2.095898 5.928095 3.630201\n-0.000000 0.000000 7.260403\nCe Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Ce\n0.750000 0.749999 0.750000 Ce\n0.061794 0.710948 0.289052 Be\n0.210948 0.438206 0.561793 Be\n0.438207 0.561793 0.210948 Be\n0.561793 0.210948 0.438207 Be\n0.210948 0.561793 0.789051 Be\n0.210949 0.789051 0.438207 Be\n0.789052 0.561793 0.438207 Be\n0.289052 0.710948 0.938206 Be\n0.289052 0.061793 0.710948 Be\n0.061794 0.938206 0.710948 Be\n0.710948 0.938206 0.289052 Be\n0.938207 0.710948 0.061793 Be\n0.938207 0.289052 0.710948 Be\n0.061793 0.289052 0.938206 Be\n0.789052 0.438206 0.210948 Be\n0.438207 0.789051 0.561793 Be\n0.438207 0.210948 0.789051 Be\n0.561793 0.789051 0.210948 Be\n0.789052 0.210948 0.561793 Be\n0.561793 0.438206 0.789051 Be\n0.289052 0.938206 0.061793 Be\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.710948 0.061793 0.938206 Be\n0.938206 0.061793 0.289052 Be\n0.710948 0.289052 0.061793 Be\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ce",
"Be"
],
"chemical_system": "Be-Ce",
"density": 3.157246333898972,
"density_atomic": 0.10346438704517442,
"volume": 270.6245192152416,
"volume_molar": 5.820496242219678,
"formula_full": "Ce2 Be26",
"formula_reduced": "CeBe13",
"formula_anonymous": "AB13",
"energy_above_hull": 2.291536771428571,
"spacegroup": 226
},
{
"id": "jvasp-111547",
"created_at": "2022-09-04T14:38:40.384598Z",
"updated_at": "2022-09-04T14:38:40.384619Z",
"structure_string": "Mg2 Cr2 Ga2 S8\n1.0\n6.273519 -0.000001 3.612681\n2.067277 5.933190 3.663547\n-0.011301 0.021943 7.273058\nMg Cr Ga S\n2 2 2 8\ndirect\n0.873862 0.876138 0.876139 Mg\n0.126140 0.123861 0.123861 Mg\n0.500001 0.500000 -0.000000 Cr\n0.500000 -0.000001 0.500000 Cr\n0.500001 0.500000 0.499999 Ga\n0.000001 0.499999 0.500002 Ga\n0.733079 0.740753 0.740753 S\n0.266367 0.252473 0.714794 S\n0.266367 0.714792 0.252474 S\n0.714585 0.259246 0.259247 S\n0.733634 0.285206 0.747526 S\n0.285417 0.740752 0.740753 S\n0.266922 0.259247 0.259247 S\n0.733635 0.747525 0.285207 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Ga",
"S"
],
"chemical_system": "Cr-Ga-Mg-S",
"density": 3.366051509290238,
"density_atomic": 0.05173316718305218,
"volume": 270.6194258407285,
"volume_molar": 11.640773391451777,
"formula_full": "Mg2 Cr2 Ga2 S8",
"formula_reduced": "MgCrGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 1.668529825000001,
"spacegroup": 74
},
{
"id": "jvasp-59502",
"created_at": "2022-09-04T14:38:35.203973Z",
"updated_at": "2022-09-04T14:38:35.204000Z",
"structure_string": "Ta10 Ge6\n1.0\n3.825390 -6.625770 -0.000000\n3.825390 6.625770 -0.000000\n-0.000000 -0.000000 5.338236\nTa Ge\n10 6\ndirect\n0.235453 0.000000 0.250000 Ta\n0.764547 0.000000 0.750001 Ta\n0.235453 0.235453 0.750001 Ta\n0.000000 0.235453 0.250000 Ta\n0.764547 0.764547 0.250000 Ta\n0.000000 0.764547 0.750001 Ta\n0.333333 0.666667 0.500000 Ta\n0.666667 0.333333 0.000000 Ta\n0.666667 0.333333 0.500000 Ta\n0.333333 0.666667 0.000000 Ta\n0.000000 0.603054 0.250000 Ge\n0.603054 0.603054 0.750001 Ge\n0.396946 0.000000 0.750001 Ge\n0.603054 0.000000 0.250000 Ge\n0.396946 0.396946 0.250000 Ge\n0.000000 0.396946 0.750001 Ge\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Ta",
"Ge"
],
"chemical_system": "Ge-Ta",
"density": 13.778034578235253,
"density_atomic": 0.05912622378965783,
"volume": 270.6075066948326,
"volume_molar": 10.185228100180778,
"formula_full": "Ta10 Ge6",
"formula_reduced": "Ta5Ge3",
"formula_anonymous": "A3B5",
"energy_above_hull": 5.21176048125,
"spacegroup": 193
},
{
"id": "jvasp-8666",
"created_at": "2022-09-04T14:37:02.255758Z",
"updated_at": "2022-09-04T14:37:02.255794Z",
"structure_string": "Tl2 Ag2 I4\n1.0\n6.740003 0.042570 -2.118029\n-3.620171 5.685403 -2.118029\n-0.023187 -0.042570 7.064924\nTl Ag I\n2 2 4\ndirect\n0.250000 0.250000 -0.000000 Tl\n0.749999 0.750000 -0.000001 Tl\n0.250000 0.750000 0.499999 Ag\n0.749999 0.250000 0.499999 Ag\n0.681219 0.181220 0.862439 I\n0.181220 0.318780 0.499999 I\n0.818779 0.681220 0.499999 I\n0.318780 0.818779 0.137559 I\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tl",
"Ag",
"I"
],
"chemical_system": "Ag-I-Tl",
"density": 6.94719609944013,
"density_atomic": 0.029563622437638916,
"volume": 270.60283349495097,
"volume_molar": 20.37010441701797,
"formula_full": "Tl2 Ag2 I4",
"formula_reduced": "TlAgI2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 140
},
{
"id": "jvasp-119124",
"created_at": "2022-09-04T14:38:51.186375Z",
"updated_at": "2022-09-04T14:38:51.186409Z",
"structure_string": "Y4 Ti2 Nb2 O15\n1.0\n6.325908 0.016264 -3.570057\n-2.084961 5.890121 -3.704334\n0.009822 -0.016264 7.263768\nY Ti Nb O\n4 2 2 15\ndirect\n0.255205 0.503487 0.248283 Y\n0.255205 0.006923 0.751718 Y\n0.257003 0.500368 0.756635 Y\n0.743734 0.500368 0.243365 Y\n0.761910 0.997945 0.236038 Ti\n0.761910 0.525872 0.763963 Ti\n0.760576 0.998090 0.762486 Nb\n0.235603 0.998090 0.237515 Nb\n0.420741 0.914987 0.097712 O\n0.817275 0.914987 0.494246 O\n0.420741 0.323029 0.505755 O\n0.818979 0.318979 0.500000 O\n0.421128 0.921128 0.500000 O\n0.637044 0.635948 0.538402 O\n0.653189 0.653189 -0.000000 O\n0.637044 0.098640 0.001095 O\n0.097546 0.635948 0.998905 O\n0.817275 0.323029 0.902288 O\n0.115453 0.115453 -0.000000 O\n0.380424 0.380424 -0.000000 O\n0.123290 0.623290 0.500000 O\n0.097546 0.098641 0.461598 O\n0.886182 0.886181 -0.000000 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Y",
"Ti",
"Nb",
"O"
],
"chemical_system": "Nb-O-Ti-Y",
"density": 5.382692226868615,
"density_atomic": 0.08499607941951536,
"volume": 270.600716610455,
"volume_molar": 7.085198283413173,
"formula_full": "Y4 Ti2 Nb2 O15",
"formula_reduced": "Y4Ti2Nb2O15",
"formula_anonymous": "A2B2C4D15",
"energy_above_hull": 3.528844772463768,
"spacegroup": 44
},
{
"id": "jvasp-9698",
"created_at": "2022-09-04T14:37:08.008836Z",
"updated_at": "2022-09-04T14:37:08.008867Z",
"structure_string": "Na6 Al2 P4\n1.0\n5.597653 -0.000000 -2.293655\n-1.164982 5.985296 -2.843134\n0.026284 0.043561 8.041495\nNa Al P\n6 2 4\ndirect\n0.749990 0.500000 -0.000000 Na\n0.250010 0.500000 0.000000 Na\n0.808970 0.001089 0.617943 Na\n0.308959 0.616845 0.617919 Na\n0.691040 0.383156 0.382082 Na\n0.191028 -0.001089 0.382057 Na\n0.250002 0.000000 -0.000000 Al\n0.749998 0.000000 -0.000001 Al\n0.397791 0.096338 0.795584 P\n0.602209 0.903662 0.204416 P\n0.897791 0.699246 0.795583 P\n0.102208 0.300755 0.204417 P\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Na",
"Al",
"P"
],
"chemical_system": "Al-Na-P",
"density": 1.9379636307654071,
"density_atomic": 0.04434760058792823,
"volume": 270.58961118330484,
"volume_molar": 13.579406056162766,
"formula_full": "Na6 Al2 P4",
"formula_reduced": "Na3AlP2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.9191884666666668,
"spacegroup": 72
}
]
}