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=nelements&page=3992",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=3990",
"results": [
{
"id": "jvasp-110121",
"created_at": "2022-09-04T14:38:05.848929Z",
"updated_at": "2022-09-04T14:38:05.848956Z",
"structure_string": "Zn2 Ga1 Cu1 Se4\n1.0\n4.016557 0.005590 12.750041\n1.965435 3.502831 12.750041\n0.009531 0.005590 13.367729\nZn Ga Cu Se\n2 1 1 4\ndirect\n0.497072 0.497071 0.497070 Zn\n0.746445 0.746443 0.746442 Zn\n0.249978 0.249977 0.249977 Ga\n0.007246 0.007246 0.007246 Cu\n0.941352 0.941351 0.941349 Se\n0.186752 0.186752 0.186751 Se\n0.436025 0.436024 0.436023 Se\n0.685137 0.685136 0.685135 Se\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Ga",
"Cu",
"Se"
],
"chemical_system": "Cu-Ga-Se-Zn",
"density": 5.139879357293413,
"density_atomic": 0.04269927351509551,
"volume": 187.35681760889335,
"volume_molar": 14.10361409983003,
"formula_full": "Zn2 Ga1 Cu1 Se4",
"formula_reduced": "Zn2GaCuSe4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.1590258802083332,
"spacegroup": 160
},
{
"id": "jvasp-46773",
"created_at": "2022-09-04T14:38:08.436064Z",
"updated_at": "2022-09-04T14:38:08.436092Z",
"structure_string": "Li4 Ni2 C4 O12\n1.0\n5.099380 -0.001468 0.001677\n-2.507786 5.464775 0.012254\n-0.002523 -0.018636 7.848949\nLi Ni C O\n4 2 4 12\ndirect\n0.691409 0.315479 0.057543 Li\n0.815031 0.193154 0.557555 Li\n0.191361 0.815458 0.442203 Li\n0.315004 0.693096 0.942235 Li\n0.503207 0.504317 0.499884 Ni\n0.003208 0.004306 -0.000116 Ni\n0.277568 0.126737 0.735135 C\n0.228857 0.381869 0.235133 C\n0.777561 0.626731 0.764625 C\n0.728824 0.881865 0.264621 C\n0.907641 0.655105 0.910132 O\n0.598733 0.853477 0.410128 O\n0.896149 0.598283 0.624518 O\n0.519628 0.615909 0.753311 O\n0.486796 0.392706 0.246448 O\n0.019629 0.115907 0.746455 O\n0.098785 0.353506 0.089622 O\n0.407656 0.155119 0.589626 O\n0.396154 0.098290 0.875243 O\n0.610241 0.910312 0.124513 O\n0.110249 0.410296 0.375238 O\n0.986772 0.892710 0.253303 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Ni",
"C",
"O"
],
"chemical_system": "C-Li-Ni-O",
"density": 2.924648895035783,
"density_atomic": 0.1005949953483693,
"volume": 218.69875259511738,
"volume_molar": 5.986521237110056,
"formula_full": "Li4 Ni2 C4 O12",
"formula_reduced": "Li2Ni(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.040050309090909,
"spacegroup": 14
},
{
"id": "jvasp-11475",
"created_at": "2022-09-04T14:38:04.627758Z",
"updated_at": "2022-09-04T14:38:04.627783Z",
"structure_string": "K3 Na1 Fe2 O8\n1.0\n2.897186 -5.018074 -0.000000\n2.897186 5.018074 0.000000\n-0.000000 -0.000000 7.515532\nK Na Fe O\n3 1 2 8\ndirect\n0.000000 0.000000 0.500000 K\n0.333334 0.666668 0.156829 K\n0.666668 0.333334 0.843171 K\n0.000000 0.000000 0.000000 Na\n0.666668 0.333334 0.279546 Fe\n0.333334 0.666668 0.720454 Fe\n0.178769 0.821232 0.802353 O\n0.642464 0.821232 0.802353 O\n0.178769 0.357537 0.802353 O\n0.821232 0.178769 0.197647 O\n0.821232 0.642464 0.197647 O\n0.357537 0.178769 0.197647 O\n0.333334 0.666668 0.502791 O\n0.666668 0.333334 0.497209 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"K",
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-K-Na-O",
"density": 2.8873211598435575,
"density_atomic": 0.06406559624321201,
"volume": 218.52602365319206,
"volume_molar": 9.399960529732942,
"formula_full": "K3 Na1 Fe2 O8",
"formula_reduced": "K3Na(FeO4)2",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 1.885564428571428,
"spacegroup": 164
},
{
"id": "jvasp-25639",
"created_at": "2022-09-04T14:38:13.490683Z",
"updated_at": "2022-09-04T14:38:13.490709Z",
"structure_string": "Na12 Sc4 Si8 O28\n1.0\n5.371070 0.000000 0.000000\n-0.000000 9.401914 0.000000\n0.000000 0.000000 13.109830\nNa Sc Si O\n12 4 8 28\ndirect\n0.018669 0.348358 0.403725 Na\n0.016496 0.020938 0.250000 Na\n0.981331 0.651642 0.596275 Na\n0.481331 0.848358 0.403725 Na\n0.518669 0.151642 0.903725 Na\n0.018669 0.348358 0.096275 Na\n0.516496 0.479062 0.750000 Na\n0.481331 0.848358 0.096275 Na\n0.983504 0.979061 0.750000 Na\n0.518669 0.151642 0.596275 Na\n0.981331 0.651642 0.903725 Na\n0.483504 0.520938 0.250000 Na\n0.500000 0.500000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Sc\n0.987152 0.676339 0.131336 Si\n0.987152 0.676339 0.368664 Si\n0.012848 0.323661 0.868664 Si\n0.487152 0.823661 0.631336 Si\n0.512848 0.176339 0.368664 Si\n0.012848 0.323661 0.631336 Si\n0.512848 0.176339 0.131336 Si\n0.487152 0.823661 0.868664 Si\n0.801725 0.131000 0.108132 O\n0.937805 0.378360 0.750000 O\n0.821494 0.409212 0.943176 O\n0.698275 0.631000 0.391868 O\n0.698275 0.631000 0.108132 O\n0.678506 0.909211 0.943176 O\n0.198275 0.869000 0.891868 O\n0.969708 0.152254 0.878710 O\n0.437805 0.121640 0.250000 O\n0.530292 0.652254 0.878710 O\n0.562195 0.878359 0.750000 O\n0.301725 0.369000 0.891868 O\n0.801725 0.131000 0.391868 O\n0.321494 0.090788 0.443176 O\n0.030292 0.847745 0.121290 O\n0.030292 0.847745 0.378710 O\n0.530292 0.652254 0.621290 O\n0.969708 0.152254 0.621290 O\n0.178506 0.590788 0.443176 O\n0.301725 0.369000 0.608132 O\n0.469708 0.347746 0.378710 O\n0.321494 0.090788 0.056824 O\n0.198275 0.869000 0.608132 O\n0.678506 0.909211 0.556824 O\n0.062195 0.621640 0.250000 O\n0.469708 0.347746 0.121290 O\n0.178506 0.590788 0.056824 O\n0.821494 0.409212 0.556824 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Na",
"Sc",
"Si",
"O"
],
"chemical_system": "Na-O-Sc-Si",
"density": 2.830256147470823,
"density_atomic": 0.07854692663488548,
"volume": 662.024629451319,
"volume_molar": 7.666933663735932,
"formula_full": "Na12 Sc4 Si8 O28",
"formula_reduced": "Na3ScSi2O7",
"formula_anonymous": "AB2C3D7",
"energy_above_hull": 2.014823380769231,
"spacegroup": 62
},
{
"id": "jvasp-29780",
"created_at": "2022-09-04T14:38:05.660127Z",
"updated_at": "2022-09-04T14:38:05.660149Z",
"structure_string": "Cd1 In1 Ga1 S4\n1.0\n4.028362 -0.000000 0.000000\n-2.014181 3.488663 -0.000000\n0.000000 0.000000 12.608231\nCd In Ga S\n1 1 1 4\ndirect\n0.000000 0.000000 0.543468 Cd\n0.333333 0.666666 0.830229 In\n0.333333 0.666666 0.261077 Ga\n0.000000 0.000000 0.343172 S\n0.666667 0.333333 0.905393 S\n0.333333 0.666666 0.626809 S\n0.333333 0.666666 0.094852 S\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ga",
"S"
],
"chemical_system": "Cd-Ga-In-S",
"density": 3.984858852920524,
"density_atomic": 0.03950539178226099,
"volume": 177.19100315676891,
"volume_molar": 15.24384517736667,
"formula_full": "Cd1 In1 Ga1 S4",
"formula_reduced": "CdInGaS4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 0.7175374349999999,
"spacegroup": 156
},
{
"id": "jvasp-117427",
"created_at": "2022-09-04T14:38:26.535229Z",
"updated_at": "2022-09-04T14:38:26.535250Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.266902 -0.008390 -2.246986\n-2.612193 8.709285 -0.184806\n-0.100421 0.037295 5.202057\nLi Mn B O\n2 4 4 12\ndirect\n0.674340 0.189478 0.254120 Li\n0.325659 0.810522 0.745880 Li\n0.744371 0.398851 0.759840 Mn\n0.751895 0.870240 0.277613 Mn\n0.248103 0.129760 0.722386 Mn\n0.255629 0.601146 0.240160 Mn\n0.744720 0.053602 0.780268 B\n0.742223 0.530531 0.274335 B\n0.257778 0.469470 0.725665 B\n0.255280 0.946398 0.219731 B\n0.281120 0.606896 0.622373 O\n0.332932 0.825571 0.141082 O\n0.358085 0.357831 0.661934 O\n0.705431 0.918280 0.887478 O\n0.294569 0.081720 0.112521 O\n0.839327 0.070510 0.566349 O\n0.667067 0.174429 0.858917 O\n0.718882 0.393104 0.377625 O\n0.862281 0.559850 0.087177 O\n0.137726 0.440154 0.912829 O\n0.641911 0.642167 0.338063 O\n0.160672 0.929490 0.433650 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.2879282722460004,
"density_atomic": 0.09290574374298344,
"volume": 236.79913763847907,
"volume_molar": 6.481989721388795,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.390406422675026,
"spacegroup": 2
},
{
"id": "jvasp-10199",
"created_at": "2022-09-04T14:38:08.422620Z",
"updated_at": "2022-09-04T14:38:08.422645Z",
"structure_string": "Sr1 Sn1 B2 O6\n1.0\n4.576821 -0.009634 4.342681\n1.859872 4.181897 4.342681\n-0.014863 -0.009634 6.309196\nSr Sn B O\n1 1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.500001 0.500000 Sn\n0.764104 0.764107 0.764105 B\n0.235894 0.235895 0.235895 B\n0.716926 0.508594 0.057045 O\n0.057045 0.716928 0.508593 O\n0.491406 0.942956 0.283073 O\n0.283073 0.491409 0.942954 O\n0.942954 0.283075 0.491406 O\n0.508593 0.057047 0.716926 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Sn",
"B",
"O"
],
"chemical_system": "B-O-Sn-Sr",
"density": 4.436382231030436,
"density_atomic": 0.08247152407500942,
"volume": 121.25397356431547,
"volume_molar": 7.302084965136267,
"formula_full": "Sr1 Sn1 B2 O6",
"formula_reduced": "SrSn(BO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.528425417666667,
"spacegroup": 148
},
{
"id": "jvasp-45877",
"created_at": "2022-09-04T14:38:08.376825Z",
"updated_at": "2022-09-04T14:38:08.376853Z",
"structure_string": "Li4 Mn2 O2 F4\n1.0\n0.000000 5.894619 -0.000000\n-5.370152 2.947310 -0.000000\n0.000000 -0.000000 4.096128\nLi Mn O F\n4 2 2 4\ndirect\n0.499620 0.662925 0.945271 Li\n0.837455 0.662925 0.445271 Li\n0.500380 0.337075 0.445271 Li\n0.162545 0.337075 0.945271 Li\n0.823294 0.000000 0.945296 Mn\n0.176706 0.000000 0.445296 Mn\n0.813224 0.000000 0.445309 O\n0.186776 0.000000 0.945309 O\n0.837317 0.636176 0.945327 F\n0.526508 0.636176 0.445327 F\n0.473492 0.363824 0.945327 F\n0.162684 0.363824 0.445327 F\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.1457129727229294,
"density_atomic": 0.09254765278811697,
"volume": 129.662931889514,
"volume_molar": 6.507070226607884,
"formula_full": "Li4 Mn2 O2 F4",
"formula_reduced": "Li2MnOF2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 1.0236435510632185,
"spacegroup": 63
},
{
"id": "jvasp-39190",
"created_at": "2022-09-04T14:38:20.547735Z",
"updated_at": "2022-09-04T14:38:20.547750Z",
"structure_string": "Na2 Cr1 H2 F8\n1.0\n2.279072 0.000000 -4.880965\n-3.686394 -3.961936 -0.008642\n-3.686394 3.961936 -0.008642\nNa Cr H F\n2 1 2 8\ndirect\n0.499999 0.735376 0.264621 Na\n0.499999 0.264621 0.735376 Na\n0.000000 0.000000 0.000000 Cr\n0.780531 0.344272 0.344272 H\n0.219469 0.655728 0.655728 H\n0.776779 0.674231 0.001021 F\n0.776912 0.140879 0.140879 F\n0.223221 0.998980 0.325770 F\n0.733172 0.459442 0.459442 F\n0.266828 0.540557 0.540557 F\n0.776779 0.001021 0.674231 F\n0.223088 0.859120 0.859120 F\n0.223221 0.325770 0.998980 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H-Na",
"density": 2.931520800563455,
"density_atomic": 0.09108006414135321,
"volume": 142.7315639548127,
"volume_molar": 6.611919761775573,
"formula_full": "Na2 Cr1 H2 F8",
"formula_reduced": "Na2CrH2F8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 0.5055052046153843,
"spacegroup": 12
},
{
"id": "jvasp-40664",
"created_at": "2022-09-04T14:38:05.630810Z",
"updated_at": "2022-09-04T14:38:05.630830Z",
"structure_string": "Li12 V2 O6 F6\n1.0\n5.158023 -0.031206 0.047164\n-1.837336 -6.225697 -0.010762\n-0.272015 0.049941 -7.750969\nLi V O F\n12 2 6 6\ndirect\n0.885588 0.082336 0.342179 Li\n0.760742 0.663339 0.219762 Li\n0.710488 0.172462 0.757913 Li\n0.076471 0.451825 0.142277 Li\n0.397047 0.802029 0.908887 Li\n0.444314 0.322071 0.410466 Li\n0.554537 0.677684 0.600360 Li\n0.612652 0.196898 0.099919 Li\n0.933210 0.546899 0.853283 Li\n0.280334 0.350679 0.763514 Li\n0.326470 0.833199 0.231801 Li\n0.093119 0.912451 0.655109 Li\n0.980039 0.994024 0.011068 V\n0.962489 0.493330 0.511666 V\n0.783218 0.367567 0.294836 O\n0.968863 0.277347 0.941591 O\n0.649768 0.415088 0.643335 O\n0.663721 0.918493 0.136252 O\n0.069377 0.726505 0.051638 O\n0.215437 0.649737 0.691938 O\n0.882352 0.788180 0.449428 F\n0.232445 0.115277 0.233349 F\n0.352885 0.081912 0.858148 F\n0.330499 0.574959 0.351988 F\n0.762350 0.881042 0.778599 F\n0.071559 0.204687 0.560705 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 2.632474010116005,
"density_atomic": 0.10430697882499461,
"volume": 249.26424188378215,
"volume_molar": 5.7734782733031675,
"formula_full": "Li12 V2 O6 F6",
"formula_reduced": "Li6V(OF)3",
"formula_anonymous": "AB3C3D6",
"energy_above_hull": 1.2518342728846157,
"spacegroup": 1
},
{
"id": "jvasp-12487",
"created_at": "2022-09-04T14:38:05.173024Z",
"updated_at": "2022-09-04T14:38:05.173049Z",
"structure_string": "K1 As4 Br1 O6\n1.0\n2.666952 -4.619296 -0.000000\n2.666952 4.619296 -0.000000\n0.000000 0.000000 8.870165\nK As Br O\n1 4 1 6\ndirect\n0.000000 0.000000 0.500000 K\n0.333332 0.666667 0.791651 As\n0.666667 0.333332 0.791651 As\n0.666667 0.333332 0.208348 As\n0.333332 0.666667 0.208348 As\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.320667 O\n-0.000000 0.500000 0.679332 O\n0.500000 0.500000 0.679332 O\n0.500000 -0.000000 0.679332 O\n-0.000000 0.500000 0.320667 O\n0.500000 -0.000000 0.320667 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"K",
"As",
"Br",
"O"
],
"chemical_system": "As-Br-K-O",
"density": 3.910551479295864,
"density_atomic": 0.054907106809233684,
"volume": 218.550943536183,
"volume_molar": 10.967871210047553,
"formula_full": "K1 As4 Br1 O6",
"formula_reduced": "KAs4BrO6",
"formula_anonymous": "ABC4D6",
"energy_above_hull": 2.19431000875,
"spacegroup": 191
},
{
"id": "jvasp-112347",
"created_at": "2022-09-04T14:38:26.419623Z",
"updated_at": "2022-09-04T14:38:26.419655Z",
"structure_string": "Sr3 Pr1 Mn4 O12\n1.0\n6.268074 -0.000000 -2.216099\n-3.134037 5.428311 -2.216099\n-0.000000 -0.000000 6.648296\nSr Pr Mn O\n3 1 4 12\ndirect\n0.499999 0.500000 -0.000000 Sr\n-0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Pr\n0.000000 0.000000 0.500000 Mn\n0.499999 0.500000 0.500000 Mn\n0.500000 0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.245752 0.245752 0.491504 O\n0.754247 0.754247 0.508496 O\n0.754247 0.000000 0.245752 O\n0.245752 0.491504 0.245752 O\n0.245752 0.000000 0.754248 O\n-0.000000 0.754247 0.245752 O\n0.508495 0.754247 0.754247 O\n-0.000000 0.245752 0.754248 O\n0.245752 0.754247 -0.000000 O\n0.491504 0.245752 0.245752 O\n0.754247 0.508496 0.754247 O\n0.754247 0.245752 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr-Sr",
"density": 5.986467171772242,
"density_atomic": 0.08841395375075949,
"volume": 226.2086373422498,
"volume_molar": 6.8113012760141025,
"formula_full": "Sr3 Pr1 Mn4 O12",
"formula_reduced": "Sr3PrMn4O12",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.7697869872758623,
"spacegroup": 229
}
]
}