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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4348",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4346",
"results": [
{
"id": "jvasp-111096",
"created_at": "2022-09-04T14:38:38.191080Z",
"updated_at": "2022-09-04T14:38:38.191103Z",
"structure_string": "Cd2 In1 Ag1 S4\n1.0\n7.091648 0.002711 3.491015\n5.873652 3.973875 3.491015\n-0.037354 -0.011457 7.218946\nCd In Ag S\n2 1 1 4\ndirect\n0.494739 0.494738 0.175433 Cd\n0.004407 0.004406 0.648309 Cd\n0.753155 0.753152 0.599658 In\n0.246886 0.246885 0.072776 Ag\n0.061099 0.061098 0.263274 S\n0.566816 0.566813 0.770498 S\n0.817878 0.817874 0.855153 S\n0.302822 0.302820 0.366897 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"S"
],
"chemical_system": "Ag-Cd-In-S",
"density": 4.689198076546875,
"density_atomic": 0.0392366384642227,
"volume": 203.8910649110441,
"volume_molar": 15.348258657507557,
"formula_full": "Cd2 In1 Ag1 S4",
"formula_reduced": "Cd2InAgS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.37071209125,
"spacegroup": 8
},
{
"id": "jvasp-110519",
"created_at": "2022-09-04T14:38:38.650649Z",
"updated_at": "2022-09-04T14:38:38.650671Z",
"structure_string": "Zr2 Ga3 Cu1\n1.0\n4.280803 0.018177 3.285021\n2.275813 3.625780 3.285021\n0.002506 0.001393 6.616792\nZr Ga Cu\n2 3 1\ndirect\n0.544093 0.544094 0.198289 Zr\n0.452270 0.452270 0.795259 Zr\n0.851845 0.851847 0.610306 Ga\n0.826814 0.826816 0.207002 Ga\n0.159067 0.159066 0.796537 Ga\n0.165907 0.165907 0.392606 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Ga",
"Cu"
],
"chemical_system": "Cu-Ga-Zr",
"density": 7.3818593191843265,
"density_atomic": 0.05860045202181419,
"volume": 102.38828870750831,
"volume_molar": 10.276611446202226,
"formula_full": "Zr2 Ga3 Cu1",
"formula_reduced": "Zr2Ga3Cu",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.1879310708333335,
"spacegroup": 8
},
{
"id": "jvasp-110609",
"created_at": "2022-09-04T14:38:38.894629Z",
"updated_at": "2022-09-04T14:38:38.894641Z",
"structure_string": "Ca2 Zn3 Ag1\n1.0\n4.481469 0.038442 3.624106\n2.094267 3.962208 3.624106\n0.005712 0.003475 7.318939\nCa Zn Ag\n2 3 1\ndirect\n0.547721 0.547720 0.699482 Ca\n0.452684 0.452683 0.297086 Ca\n0.828344 0.828342 0.732490 Zn\n0.842590 0.842590 0.099783 Zn\n0.166841 0.166839 0.886593 Zn\n0.161825 0.161824 0.284571 Ag\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Ag"
],
"chemical_system": "Ag-Ca-Zn",
"density": 4.93634901840799,
"density_atomic": 0.04641867919675549,
"volume": 129.25830945270368,
"volume_molar": 12.973528898730336,
"formula_full": "Ca2 Zn3 Ag1",
"formula_reduced": "Ca2Zn3Ag",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-106373",
"created_at": "2022-09-04T14:38:39.029642Z",
"updated_at": "2022-09-04T14:38:39.029651Z",
"structure_string": "Cd1 In1 Ag1 Te3\n1.0\n7.297240 -0.011318 3.274498\n5.836117 4.380591 3.274498\n0.004193 0.001395 6.549384\nCd In Ag Te\n1 1 1 3\ndirect\n0.664553 0.664551 0.336109 Cd\n0.335384 0.335382 0.652533 In\n-0.000473 -0.000473 0.011552 Ag\n0.500921 0.500919 0.241421 Te\n0.162952 0.162950 0.592697 Te\n0.836672 0.836669 0.915687 Te\n",
"nsites": 6,
"nelements": 4,
"elements": [
"Cd",
"In",
"Ag",
"Te"
],
"chemical_system": "Ag-Cd-In-Te",
"density": 5.6841006466069794,
"density_atomic": 0.028608932476435544,
"volume": 209.72470765702457,
"volume_molar": 21.049861839340863,
"formula_full": "Cd1 In1 Ag1 Te3",
"formula_reduced": "CdInAgTe3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 0.0,
"spacegroup": 8
},
{
"id": "jvasp-120492",
"created_at": "2022-09-04T14:38:39.416058Z",
"updated_at": "2022-09-04T14:38:39.416085Z",
"structure_string": "Yb4 Cd1 S7\n1.0\n6.565555 -0.050928 4.075577\n5.324056 3.842335 4.075577\n1.057169 0.337114 11.573440\nYb Cd S\n4 1 7\ndirect\n0.312006 0.312004 0.813863 Yb\n0.695771 0.695770 0.182309 Yb\n0.005702 0.005702 -0.004588 Yb\n0.915620 0.915619 0.414260 Yb\n0.075446 0.075445 0.595062 Cd\n0.302311 0.302311 0.366797 S\n0.682270 0.682269 0.641335 S\n0.666770 0.666768 0.835137 S\n0.341952 0.341952 0.157049 S\n0.895846 0.895844 0.873630 S\n0.107160 0.107160 0.126007 S\n0.499154 0.499153 0.499140 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Cd",
"S"
],
"chemical_system": "Cd-S-Yb",
"density": 6.17716271088702,
"density_atomic": 0.04338052879741455,
"volume": 276.6218009014955,
"volume_molar": 13.882128519279172,
"formula_full": "Yb4 Cd1 S7",
"formula_reduced": "Yb4CdS7",
"formula_anonymous": "AB4C7",
"energy_above_hull": 0.7010193791666671,
"spacegroup": 8
},
{
"id": "jvasp-115898",
"created_at": "2022-09-04T14:38:39.823439Z",
"updated_at": "2022-09-04T14:38:39.823472Z",
"structure_string": "P2 Cl1\n1.0\n5.243183 -0.997187 0.197670\n2.232619 -2.586706 -0.151246\n2.004435 -1.861430 -5.942931\nP Cl\n2 1\ndirect\n0.418462 0.786118 0.324720 P\n0.823722 0.657605 0.452969 P\n0.357237 0.144251 0.968517 Cl\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Cl"
],
"chemical_system": "Cl-P",
"density": 2.435802337247365,
"density_atomic": 0.04518069495245167,
"volume": 66.40004106083829,
"volume_molar": 13.32901312460493,
"formula_full": "P2 Cl1",
"formula_reduced": "P2Cl",
"formula_anonymous": "AB2",
"energy_above_hull": 1.7588383558333334,
"spacegroup": 8
},
{
"id": "jvasp-110606",
"created_at": "2022-09-04T14:38:39.784982Z",
"updated_at": "2022-09-04T14:38:39.785004Z",
"structure_string": "Cd2 Ga1 Cu1 S4\n1.0\n6.876518 0.015200 3.336390\n5.733630 3.796342 3.336390\n-0.026059 -0.007877 6.842833\nCd Ga Cu S\n2 1 1 4\ndirect\n0.002170 0.002170 0.349509 Cd\n0.507353 0.507351 0.815615 Cd\n0.251069 0.251068 0.398412 Ga\n0.746148 0.746146 0.930927 Cu\n0.921822 0.921819 0.753305 S\n0.426156 0.426155 0.236659 S\n0.193486 0.193485 0.135789 S\n0.702017 0.702015 0.629781 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Cd",
"Ga",
"Cu",
"S"
],
"chemical_system": "Cd-Cu-Ga-S",
"density": 4.526963983825968,
"density_atomic": 0.04484335689322569,
"volume": 178.3987764129346,
"volume_molar": 13.429281787130753,
"formula_full": "Cd2 Ga1 Cu1 S4",
"formula_reduced": "Cd2GaCuS4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 0.3507265343749999,
"spacegroup": 8
},
{
"id": "jvasp-112444",
"created_at": "2022-09-04T14:38:40.350964Z",
"updated_at": "2022-09-04T14:38:40.350984Z",
"structure_string": "Fe6 O7 F5\n1.0\n5.093179 0.041074 2.066543\n1.362852 4.907626 2.066543\n0.057721 0.044244 7.590324\nFe O F\n6 7 5\ndirect\n0.667812 0.667812 0.832574 Fe\n0.338881 0.338881 0.649815 Fe\n0.650858 0.650858 0.335327 Fe\n0.348675 0.348675 0.187307 Fe\n0.997006 0.997006 0.500270 Fe\n0.003028 0.003028 0.003657 Fe\n0.308976 0.704352 -0.000302 O\n0.704352 0.308976 -0.000302 O\n0.029791 0.634187 0.663860 O\n0.432302 0.432302 0.372158 O\n0.958619 0.362715 0.335596 O\n0.634187 0.029790 0.663860 O\n0.362715 0.958619 0.335596 O\n0.772918 0.772918 0.027558 F\n0.889363 0.889362 0.300648 F\n0.238512 0.238511 0.954203 F\n0.567030 0.567030 0.638244 F\n0.094973 0.094973 0.699925 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.7782311239638435,
"density_atomic": 0.09555313701090742,
"volume": 188.3768609077198,
"volume_molar": 6.302399846184611,
"formula_full": "Fe6 O7 F5",
"formula_reduced": "Fe6O7F5",
"formula_anonymous": "A5B6C7",
"energy_above_hull": 2.4698516062499998,
"spacegroup": 8
},
{
"id": "jvasp-114251",
"created_at": "2022-09-04T14:38:40.175038Z",
"updated_at": "2022-09-04T14:38:40.175076Z",
"structure_string": "Al1 B3\n1.0\n5.255265 0.215781 -0.045885\n-2.619109 -3.172140 -0.272102\n0.822767 -0.436942 -2.802066\nAl B\n1 3\ndirect\n0.078284 0.797327 0.404836 Al\n0.868619 0.943195 0.009733 B\n0.613246 0.060088 0.137480 B\n0.787105 0.052802 0.550544 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"B"
],
"chemical_system": "Al-B",
"density": 2.227963012592865,
"density_atomic": 0.09032877939100616,
"volume": 44.2826752112436,
"volume_molar": 6.666912583786792,
"formula_full": "Al1 B3",
"formula_reduced": "AlB3",
"formula_anonymous": "AB3",
"energy_above_hull": 3.8495801375,
"spacegroup": 8
},
{
"id": "jvasp-114289",
"created_at": "2022-09-04T14:38:40.204808Z",
"updated_at": "2022-09-04T14:38:40.204833Z",
"structure_string": "Ge1 H2 O1\n1.0\n2.825444 -1.723292 -0.178322\n2.825444 1.723292 -0.178322\n-2.058693 0.000000 4.829056\nGe H O\n1 2 1\ndirect\n0.756526 0.756526 0.761578 Ge\n0.698038 0.698038 0.288892 H\n0.447051 0.447051 0.792728 H\n0.569453 0.569453 0.366807 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ge",
"H",
"O"
],
"chemical_system": "Ge-H-O",
"density": 3.289648906635797,
"density_atomic": 0.08741125182598093,
"volume": 45.7606991827921,
"volume_molar": 6.889434293869775,
"formula_full": "Ge1 H2 O1",
"formula_reduced": "GeH2O",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.9971648625,
"spacegroup": 8
},
{
"id": "jvasp-116260",
"created_at": "2022-09-04T14:38:40.941357Z",
"updated_at": "2022-09-04T14:38:40.941387Z",
"structure_string": "Mg1 Al1 O3\n1.0\n2.645249 -2.667361 0.096325\n2.645249 2.667361 0.096325\n-0.593291 0.000000 3.705832\nMg Al O\n1 1 3\ndirect\n0.490963 0.490963 0.674582 Mg\n0.027625 0.027625 0.951294 Al\n0.527376 0.018572 0.910105 O\n0.018572 0.527376 0.910105 O\n0.048823 0.048823 0.440558 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Al",
"O"
],
"chemical_system": "Al-Mg-O",
"density": 3.13431767842091,
"density_atomic": 0.09505641309373421,
"volume": 52.60034370400184,
"volume_molar": 6.335333476197577,
"formula_full": "Mg1 Al1 O3",
"formula_reduced": "MgAlO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.22143247,
"spacegroup": 8
},
{
"id": "jvasp-114350",
"created_at": "2022-09-04T14:38:40.555235Z",
"updated_at": "2022-09-04T14:38:40.555262Z",
"structure_string": "Mg2 N2\n1.0\n3.448280 -0.007438 -0.496614\n1.123129 -4.602227 -0.154351\n1.291320 0.428399 -3.188162\nMg N\n2 2\ndirect\n0.948118 0.036809 -0.031255 Mg\n0.499884 0.540135 0.694589 Mg\n0.607826 0.090085 0.639655 N\n0.022661 0.742821 0.431706 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"N"
],
"chemical_system": "Mg-N",
"density": 2.6725816333572316,
"density_atomic": 0.08401956997068745,
"volume": 47.60795611540871,
"volume_molar": 7.167545325572352,
"formula_full": "Mg2 N2",
"formula_reduced": "MgN",
"formula_anonymous": "AB",
"energy_above_hull": 1.2893661499999998,
"spacegroup": 8
}
]
}