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=1572",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=1570",
"results": [
{
"id": "jvasp-51747",
"created_at": "2022-09-04T14:37:02.651986Z",
"updated_at": "2022-09-04T14:37:02.652017Z",
"structure_string": "K6 Zn2 H10\n1.0\n-3.713999 3.713999 5.583036\n3.713999 -3.713999 5.583036\n3.713999 3.713999 -5.583036\nK Zn H\n6 2 10\ndirect\n0.178863 0.678863 0.857726 K\n0.821138 0.321138 0.142275 K\n0.678863 0.821138 0.500000 K\n0.321137 0.178863 0.500000 K\n0.250000 0.250000 0.000000 K\n0.750001 0.750001 0.000000 K\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n0.288534 0.533485 0.500000 H\n0.033485 0.788534 0.500000 H\n0.788534 0.288534 0.755048 H\n0.533485 0.033485 0.244952 H\n0.466516 0.966516 0.755048 H\n0.966516 0.211466 0.500000 H\n0.211466 0.711467 0.244952 H\n0.500000 0.500000 0.000000 H\n0.711467 0.466516 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
"nelements": 3,
"elements": [
"K",
"Zn",
"H"
],
"chemical_system": "H-K-Zn",
"density": 2.024092006961021,
"density_atomic": 0.05843304529789721,
"volume": 308.04487269548065,
"volume_molar": 10.30605324315814,
"formula_full": "K6 Zn2 H10",
"formula_reduced": "K3ZnH5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 1.0821938222222225,
"spacegroup": 140
},
{
"id": "jvasp-13366",
"created_at": "2022-09-04T14:37:02.656692Z",
"updated_at": "2022-09-04T14:37:02.656715Z",
"structure_string": "Al4 Ni2 O8\n1.0\n5.733221 0.043304 0.012718\n2.904113 4.943463 0.012718\n2.889496 1.668251 4.718526\nAl Ni O\n4 2 8\ndirect\n0.131915 0.131915 0.118085 Al\n0.500000 0.499999 0.000001 Al\n0.500000 0.499999 0.500001 Al\n0.868085 0.868083 0.881917 Al\n0.500000 -0.000001 0.500001 Ni\n0.000000 0.499999 0.500001 Ni\n0.266166 0.266165 0.230935 O\n0.269758 0.738134 0.246055 O\n0.266166 0.266165 0.736734 O\n0.738135 0.269757 0.246055 O\n0.261865 0.730241 0.753947 O\n0.730243 0.261863 0.753947 O\n0.733834 0.733833 0.263267 O\n0.733834 0.733833 0.769067 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Ni-O",
"density": 4.41450168344222,
"density_atomic": 0.10534331087883426,
"volume": 132.89880376080814,
"volume_molar": 5.716680736308599,
"formula_full": "Al4 Ni2 O8",
"formula_reduced": "Al2NiO4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.925371714285714,
"spacegroup": 74
},
{
"id": "jvasp-33673",
"created_at": "2022-09-04T14:37:02.676791Z",
"updated_at": "2022-09-04T14:37:02.676817Z",
"structure_string": "I6 Cl6 O6\n1.0\n9.448392 -0.144950 -0.320938\n-3.893549 8.610075 -0.320940\n-3.893553 -5.933457 6.247436\nI Cl O\n6 6 6\ndirect\n0.248669 0.722588 0.584020 I\n0.277411 0.415979 0.751331 I\n0.415979 0.751330 0.277411 I\n0.584020 0.248669 0.722589 I\n0.722588 0.584020 0.248669 I\n0.751331 0.277411 0.415980 I\n0.931784 0.877286 0.646891 Cl\n0.353109 0.068215 0.122713 Cl\n0.877287 0.646891 0.931785 Cl\n0.122713 0.353108 0.068216 Cl\n0.646891 0.931784 0.877287 Cl\n0.068216 0.122713 0.353109 Cl\n0.145226 0.523628 0.698655 O\n0.301345 0.854773 0.476372 O\n0.476372 0.301345 0.854774 O\n0.523628 0.698654 0.145226 O\n0.698655 0.145226 0.523628 O\n0.854774 0.476371 0.301345 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"I",
"Cl",
"O"
],
"chemical_system": "Cl-I-O",
"density": 3.7940769331097344,
"density_atomic": 0.03843159843523583,
"volume": 468.36459405489586,
"volume_molar": 15.669763957771345,
"formula_full": "I6 Cl6 O6",
"formula_reduced": "IClO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.5882812808333335,
"spacegroup": 148
},
{
"id": "jvasp-10908",
"created_at": "2022-09-04T14:37:02.709612Z",
"updated_at": "2022-09-04T14:37:02.709628Z",
"structure_string": "Ca1 Ti2 F10\n1.0\n5.165160 -0.025726 1.970249\n1.079438 5.051174 1.970249\n0.050313 0.040489 7.766899\nCa Ti F\n1 2 10\ndirect\n0.456690 0.543309 0.750000 Ca\n0.982678 0.985466 0.011650 Ti\n0.014532 0.017323 0.488351 Ti\n0.171445 0.269058 0.885532 F\n0.730942 0.828554 0.614469 F\n0.798002 0.726158 0.136725 F\n0.273840 0.201998 0.363275 F\n0.066511 0.933489 0.750000 F\n0.949975 0.050025 0.250000 F\n0.255901 0.695425 0.498439 F\n0.304575 0.744098 0.001561 F\n0.767572 0.313435 0.546774 F\n0.686564 0.232427 0.953226 F\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Ca",
"Ti",
"F"
],
"chemical_system": "Ca-F-Ti",
"density": 2.6778608098820107,
"density_atomic": 0.06434820900421842,
"volume": 202.02582482362126,
"volume_molar": 9.358676571099611,
"formula_full": "Ca1 Ti2 F10",
"formula_reduced": "CaTi2F10",
"formula_anonymous": "AB2C10",
"energy_above_hull": 0.3302145741025642,
"spacegroup": 5
},
{
"id": "jvasp-2301",
"created_at": "2022-09-04T14:37:02.723007Z",
"updated_at": "2022-09-04T14:37:02.723039Z",
"structure_string": "Sm2 S2 F2\n1.0\n3.877006 0.000000 0.000000\n0.000000 3.877006 0.000000\n0.000000 0.000000 6.903437\nSm S F\n2 2 2\ndirect\n0.000000 0.500000 0.771585 Sm\n0.500000 0.000000 0.228415 Sm\n0.500000 0.000000 0.646094 S\n0.000000 0.500000 0.353906 S\n0.500000 0.500000 0.000000 F\n0.000000 0.000000 0.000000 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"S",
"F"
],
"chemical_system": "F-S-Sm",
"density": 6.446599800946383,
"density_atomic": 0.057821977220127614,
"volume": 103.76677326612453,
"volume_molar": 10.41496858032678,
"formula_full": "Sm2 S2 F2",
"formula_reduced": "SmSF",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 129
},
{
"id": "jvasp-8386",
"created_at": "2022-09-04T14:37:02.727299Z",
"updated_at": "2022-09-04T14:37:02.727321Z",
"structure_string": "Y1 V1 F5\n1.0\n3.885968 -0.000000 1.429030\n1.597259 5.301599 1.654648\n0.080876 0.049608 5.778152\nY V F\n1 1 5\ndirect\n0.500001 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 V\n0.500001 0.822332 0.177668 F\n0.500001 0.177669 0.822331 F\n0.760889 0.239111 0.239111 F\n0.239112 0.760889 0.760888 F\n0.000001 0.500000 0.500000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Y",
"V",
"F"
],
"chemical_system": "F-V-Y",
"density": 3.298536329135334,
"density_atomic": 0.059210579958829966,
"volume": 118.22211511637293,
"volume_molar": 10.17071740251031,
"formula_full": "Y1 V1 F5",
"formula_reduced": "YVF5",
"formula_anonymous": "ABC5",
"energy_above_hull": 0.5841587232142859,
"spacegroup": 71
},
{
"id": "jvasp-8700",
"created_at": "2022-09-04T14:37:05.651781Z",
"updated_at": "2022-09-04T14:37:05.651803Z",
"structure_string": "Li4 Ce2 Ge2\n1.0\n2.376944 -4.116987 0.000000\n2.376944 4.116987 0.000000\n0.000000 -0.000000 7.353841\nLi Ce Ge\n4 2 2\ndirect\n0.666666 0.333332 0.104937 Li\n0.333332 0.666666 0.604937 Li\n0.333332 0.666666 0.895063 Li\n0.666666 0.333332 0.395063 Li\n0.000000 0.000000 0.500000 Ce\n0.000000 0.000000 0.000000 Ce\n0.666666 0.333332 0.750000 Ge\n0.333332 0.666666 0.250000 Ge\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Ce",
"Ge"
],
"chemical_system": "Ce-Ge-Li",
"density": 5.229608107310281,
"density_atomic": 0.05558368173517795,
"volume": 143.92713383246326,
"volume_molar": 10.834368239030649,
"formula_full": "Li4 Ce2 Ge2",
"formula_reduced": "Li2CeGe",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0295503625,
"spacegroup": 194
},
{
"id": "jvasp-8812",
"created_at": "2022-09-04T14:37:05.663529Z",
"updated_at": "2022-09-04T14:37:05.663560Z",
"structure_string": "K1 N1 O2\n1.0\n4.393646 -0.218195 -0.478745\n1.438394 3.753308 -0.038907\n1.141507 1.075989 4.137650\nK N O\n1 1 2\ndirect\n0.015646 0.964444 0.015646 K\n0.496051 0.558602 0.496051 N\n0.405876 0.404478 0.776427 O\n0.776428 0.404477 0.405876 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 1.989410780758056,
"density_atomic": 0.056310114262003434,
"volume": 71.03519593990761,
"volume_molar": 10.694598721607603,
"formula_full": "K1 N1 O2",
"formula_reduced": "KNO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.0070070625,
"spacegroup": 8
},
{
"id": "jvasp-8747",
"created_at": "2022-09-04T14:37:05.720426Z",
"updated_at": "2022-09-04T14:37:05.720436Z",
"structure_string": "Y3 In3 Rh3\n1.0\n3.769210 -6.528464 0.000000\n3.769210 6.528464 -0.000000\n0.000000 -0.000000 3.899144\nY In Rh\n3 3 3\ndirect\n0.405745 0.000000 0.499999 Y\n0.594255 0.594255 0.499999 Y\n0.000000 0.405745 0.499999 Y\n0.741425 0.000000 0.000000 In\n0.000000 0.741425 0.000000 In\n0.258575 0.258575 0.000000 In\n0.333333 0.666667 0.000000 Rh\n0.000000 0.000000 0.499999 Rh\n0.666667 0.333333 0.000000 Rh\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Y",
"In",
"Rh"
],
"chemical_system": "In-Rh-Y",
"density": 7.960190406635932,
"density_atomic": 0.04690097714559551,
"volume": 191.89365654496163,
"volume_molar": 12.840117896276158,
"formula_full": "Y3 In3 Rh3",
"formula_reduced": "YInRh",
"formula_anonymous": "ABC",
"energy_above_hull": 1.3095728066666663,
"spacegroup": 189
},
{
"id": "jvasp-54307",
"created_at": "2022-09-04T14:37:05.723883Z",
"updated_at": "2022-09-04T14:37:05.723904Z",
"structure_string": "Fe4 H4 O8\n1.0\n2.863475 -0.000000 0.000000\n-0.000000 4.356828 0.000000\n0.000000 0.000000 9.571984\nFe H O\n4 4 8\ndirect\n0.750001 0.536946 0.641377 Fe\n0.250000 0.463054 0.358623 Fe\n0.750001 0.963054 0.141377 Fe\n0.250000 0.036946 0.858623 Fe\n0.750001 0.573636 0.908147 H\n0.250000 0.073636 0.591853 H\n0.250000 0.426364 0.091853 H\n0.750001 0.926364 0.408147 H\n0.750001 0.791875 0.945778 O\n0.250000 0.710002 0.199223 O\n0.750001 0.210002 0.300777 O\n0.250000 0.789999 0.699223 O\n0.250000 0.208126 0.054222 O\n0.750001 0.708126 0.445778 O\n0.250000 0.291875 0.554222 O\n0.750001 0.289999 0.800776 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Fe",
"H",
"O"
],
"chemical_system": "Fe-H-O",
"density": 4.942074079673291,
"density_atomic": 0.13398439136667478,
"volume": 119.4168950337867,
"volume_molar": 4.494658443847553,
"formula_full": "Fe4 H4 O8",
"formula_reduced": "FeHO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.392413125,
"spacegroup": 62
},
{
"id": "jvasp-104038",
"created_at": "2022-09-04T14:37:05.736435Z",
"updated_at": "2022-09-04T14:37:05.736459Z",
"structure_string": "H20 C14 O12\n1.0\n6.515802 0.000000 -0.751459\n0.000000 5.231817 0.000000\n0.226283 0.000000 10.995253\nH C O\n20 14 12\ndirect\n0.503243 0.697163 0.282691 H\n0.275527 0.284584 0.410042 H\n0.724472 0.784585 0.589957 H\n0.674287 0.167712 0.554214 H\n0.325712 0.667712 0.445786 H\n0.286562 0.678274 0.020506 H\n0.713437 0.178273 0.979493 H\n0.541928 0.375573 0.058583 H\n0.350222 0.995057 0.072165 H\n0.649777 0.495056 0.927835 H\n0.458071 0.875573 0.941416 H\n0.089051 0.666860 0.257830 H\n0.955293 0.448777 0.834082 H\n0.044706 0.948777 0.165918 H\n0.982806 0.539630 0.616373 H\n0.017193 0.039630 0.383626 H\n0.193345 0.080790 0.589798 H\n0.806654 0.580790 0.410202 H\n0.496756 0.197163 0.717308 H\n0.910948 0.166860 0.742170 H\n0.974839 0.809405 0.223855 C\n0.321295 0.872007 -0.008655 C\n0.678705 0.372007 0.008655 C\n0.139884 0.977511 0.914771 C\n0.860115 0.477511 0.085229 C\n0.025160 0.309405 0.776145 C\n0.108733 0.444259 0.670635 C\n0.542204 0.833947 0.357748 C\n0.234949 0.283500 0.588691 C\n0.765050 0.783500 0.411309 C\n0.457795 0.333947 0.642252 C\n0.443110 0.598516 0.698488 C\n0.556889 0.098516 0.301511 C\n0.891266 0.944259 0.329365 C\n0.193003 0.183495 0.847985 O\n0.806997 0.683495 0.152014 O\n0.198274 0.385692 0.466768 O\n0.801725 0.885692 0.533232 O\n0.607191 0.338226 0.557617 O\n0.416317 0.249396 0.276551 O\n0.583682 0.749396 0.723448 O\n0.248548 0.653705 0.717625 O\n0.751451 0.153705 0.282375 O\n0.035272 0.396026 0.089252 O\n0.392808 0.838227 0.442382 O\n0.964728 0.896026 0.910747 O\n",
"nsites": 46,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.6808223216247065,
"density_atomic": 0.12243416310750123,
"volume": 375.7121283183884,
"volume_molar": 4.918676786896777,
"formula_full": "H20 C14 O12",
"formula_reduced": "H10C7O6",
"formula_anonymous": "A6B7C10",
"energy_above_hull": 4.537920478260869,
"spacegroup": 4
},
{
"id": "jvasp-50848",
"created_at": "2022-09-04T14:37:05.771411Z",
"updated_at": "2022-09-04T14:37:05.771430Z",
"structure_string": "Pr8 S8 O4\n1.0\n0.000000 7.143038 0.002706\n7.254654 0.000000 0.000000\n0.000000 -1.291975 -8.522252\nPr S O\n8 8 4\ndirect\n0.750876 0.443357 0.136757 Pr\n0.250876 0.056642 0.136757 Pr\n0.687689 0.866401 0.417572 Pr\n0.187689 0.633598 0.417572 Pr\n0.812310 0.366401 0.582427 Pr\n0.312310 0.133599 0.582427 Pr\n0.749124 0.943357 0.863242 Pr\n0.249124 0.556642 0.863243 Pr\n0.472120 0.224497 0.921128 S\n0.972121 0.275502 0.921128 S\n0.061301 0.854181 0.675988 S\n0.561301 0.645818 0.675988 S\n0.027879 0.724497 0.078871 S\n0.938698 0.145819 0.324011 S\n0.527879 0.775502 0.078871 S\n0.438698 0.354181 0.324011 S\n0.649311 0.088309 0.617492 O\n0.850688 0.588309 0.382507 O\n0.350688 0.911690 0.382507 O\n0.149311 0.411691 0.617493 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Pr",
"S",
"O"
],
"chemical_system": "O-Pr-S",
"density": 5.444051390875205,
"density_atomic": 0.04528985200205171,
"volume": 441.6000299381408,
"volume_molar": 13.296887699538487,
"formula_full": "Pr8 S8 O4",
"formula_reduced": "Pr2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.4928406399999998,
"spacegroup": 14
}
]
}