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=updated_at&page=855",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=updated_at&page=853",
"results": [
{
"id": "jvasp-87337",
"created_at": "2022-09-04T14:36:08.994049Z",
"updated_at": "2022-09-04T14:36:08.994068Z",
"structure_string": "Fe24 O32\n1.0\n8.144400 -0.000000 0.000000\n-0.000000 8.144400 0.000000\n-0.000000 -0.000000 8.144400\nFe O\n24 32\ndirect\n0.500000 0.500000 0.500000 Fe\n0.375000 0.375000 0.875000 Fe\n0.625000 0.625000 0.125000 Fe\n0.875000 0.375000 0.375000 Fe\n0.125000 0.625000 0.625000 Fe\n0.625000 0.125000 0.625000 Fe\n0.875000 0.875000 0.875000 Fe\n0.125000 0.125000 0.125000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.750000 0.750000 Fe\n0.500000 0.250000 0.250000 Fe\n0.000000 0.500000 0.000000 Fe\n0.375000 0.875000 0.375000 Fe\n0.750000 0.500000 0.750000 Fe\n0.250000 0.500000 0.250000 Fe\n0.250000 0.750000 0.000000 Fe\n0.750000 0.250000 0.000000 Fe\n0.250000 0.000000 0.750000 Fe\n0.750000 0.000000 0.250000 Fe\n0.000000 0.750000 0.250000 Fe\n0.500000 0.000000 0.000000 Fe\n0.250000 0.250000 0.500000 Fe\n0.750000 0.750000 0.500000 Fe\n0.000000 0.250000 0.750000 Fe\n0.511548 0.511548 0.738452 O\n0.988452 0.988452 0.261548 O\n0.988452 0.261548 0.988452 O\n0.011548 0.738452 0.011548 O\n0.011548 0.011548 0.738452 O\n0.511548 0.738452 0.511548 O\n0.738452 0.011548 0.011548 O\n0.761548 0.261548 0.761548 O\n0.238452 0.738452 0.238452 O\n0.261548 0.488452 0.488452 O\n0.738452 0.511548 0.511548 O\n0.261548 0.988452 0.988452 O\n0.488452 0.488452 0.261548 O\n0.488452 0.261548 0.488452 O\n0.738452 0.238452 0.238452 O\n0.511548 0.011548 0.238452 O\n0.761548 0.988452 0.488452 O\n0.238452 0.011548 0.511548 O\n0.488452 0.761548 0.988452 O\n0.511548 0.238452 0.011548 O\n0.988452 0.488452 0.761548 O\n0.011548 0.511548 0.238452 O\n0.238452 0.511548 0.011548 O\n0.761548 0.488452 0.988452 O\n0.011548 0.238452 0.511548 O\n0.988452 0.761548 0.488452 O\n0.761548 0.761548 0.261548 O\n0.488452 0.988452 0.761548 O\n0.738452 0.738452 0.738452 O\n0.261548 0.261548 0.261548 O\n0.261548 0.761548 0.761548 O\n0.238452 0.238452 0.738452 O\n",
"nsites": 56,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 5.693429502259786,
"density_atomic": 0.10365988943723574,
"volume": 540.2282435763838,
"volume_molar": 5.809518795258123,
"formula_full": "Fe24 O32",
"formula_reduced": "Fe3O4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.058198642857142,
"spacegroup": 227
},
{
"id": "jvasp-87934",
"created_at": "2022-09-04T14:36:08.994479Z",
"updated_at": "2022-09-04T14:36:08.994499Z",
"structure_string": "Sc8 Pb4 S16\n1.0\n3.766233 -0.000000 0.000000\n0.000000 11.735033 0.000000\n0.000000 0.000000 13.732471\nSc Pb S\n8 4 16\ndirect\n0.749999 0.582811 0.096397 Sc\n0.250000 0.417189 0.903602 Sc\n0.749999 0.082811 0.403602 Sc\n0.250000 0.917189 0.596397 Sc\n0.250000 0.943251 0.110843 Sc\n0.749999 0.056749 0.889157 Sc\n0.250000 0.443251 0.389157 Sc\n0.749999 0.556749 0.610843 Sc\n0.250000 0.259700 0.171057 Pb\n0.250000 0.759699 0.328943 Pb\n0.749999 0.240300 0.671057 Pb\n0.749999 0.740300 0.828943 Pb\n0.250000 0.702771 0.656498 S\n0.749999 0.297228 0.343502 S\n0.250000 0.911947 0.927446 S\n0.749999 0.878428 0.471051 S\n0.250000 0.121572 0.528949 S\n0.749999 0.378428 0.028949 S\n0.250000 0.621572 0.971051 S\n0.749999 0.468254 0.784293 S\n0.250000 0.531746 0.215707 S\n0.749999 0.968254 0.715707 S\n0.250000 0.031746 0.284293 S\n0.749999 0.588053 0.427446 S\n0.250000 0.411947 0.572554 S\n0.749999 0.088053 0.072554 S\n0.749999 0.797228 0.156498 S\n0.250000 0.202771 0.843502 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Sc",
"Pb",
"S"
],
"chemical_system": "Pb-S-Sc",
"density": 4.655192217608329,
"density_atomic": 0.04613365262831174,
"volume": 606.9322155258241,
"volume_molar": 13.05368297741132,
"formula_full": "Sc8 Pb4 S16",
"formula_reduced": "Sc2PbS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.885084474285714,
"spacegroup": 62
},
{
"id": "jvasp-92247",
"created_at": "2022-09-04T14:36:08.995560Z",
"updated_at": "2022-09-04T14:36:08.995594Z",
"structure_string": "Yb2 Pr2 O4\n1.0\n-2.459572 2.459572 4.913531\n2.459572 -2.459572 4.913531\n2.459572 2.459572 -4.913531\nYb Pr O\n2 2 4\ndirect\n0.500000 0.500000 0.000000 Yb\n0.250000 0.750000 0.500000 Yb\n0.750000 0.250000 0.500000 Pr\n0.000000 0.000000 0.000000 Pr\n0.489474 0.989473 0.500000 O\n0.260526 0.260526 0.000000 O\n0.739474 0.739474 0.000000 O\n0.010526 0.510526 0.500000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Yb",
"Pr",
"O"
],
"chemical_system": "O-Pr-Yb",
"density": 9.663071634023678,
"density_atomic": 0.06728483853401455,
"volume": 118.89751353056683,
"volume_molar": 8.950219531188473,
"formula_full": "Yb2 Pr2 O4",
"formula_reduced": "YbPrO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6301568875000001,
"spacegroup": 141
},
{
"id": "jvasp-91344",
"created_at": "2022-09-04T14:36:08.998860Z",
"updated_at": "2022-09-04T14:36:08.998887Z",
"structure_string": "K6 N2 O6\n1.0\n6.198948 -0.000000 -3.536848\n-2.017970 5.861293 -3.536848\n0.011842 0.016601 7.221553\nK N O\n6 2 6\ndirect\n0.698385 0.198385 0.028121 K\n0.829738 0.698384 0.028121 K\n0.198385 0.329737 0.028121 K\n0.329738 0.829737 0.028121 K\n0.753275 0.753275 0.506550 K\n0.253275 0.253275 0.506550 K\n0.286808 0.786808 0.573616 N\n0.786809 0.286808 0.573617 N\n0.826786 0.111645 0.438430 O\n0.611645 0.326786 0.438429 O\n0.499363 0.499363 0.998726 O\n0.999363 0.999363 0.998725 O\n0.326786 0.826785 0.438429 O\n0.111645 0.611645 0.438429 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"K",
"N",
"O"
],
"chemical_system": "K-N-O",
"density": 2.2631516719901503,
"density_atomic": 0.053208718326873496,
"volume": 263.11477592816186,
"volume_molar": 11.317958690537502,
"formula_full": "K6 N2 O6",
"formula_reduced": "K3NO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.4031268214285713,
"spacegroup": 108
},
{
"id": "jvasp-68862",
"created_at": "2022-09-04T14:36:09.005118Z",
"updated_at": "2022-09-04T14:36:09.005143Z",
"structure_string": "Be2 Nb1 Sn2\n1.0\n-2.057577 2.057577 5.195759\n2.057577 -2.057577 5.195759\n2.057577 2.057577 -5.195759\nBe Nb Sn\n2 1 2\ndirect\n0.593541 0.593541 0.000000 Be\n0.406459 0.406459 0.000000 Be\n0.000000 0.000000 0.000000 Nb\n0.750001 0.250000 0.500001 Sn\n0.250000 0.750001 0.500001 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Sn"
],
"chemical_system": "Be-Nb-Sn",
"density": 6.574226410538794,
"density_atomic": 0.056826226910621946,
"volume": 87.98754152486941,
"volume_molar": 10.597467203782173,
"formula_full": "Be2 Nb1 Sn2",
"formula_reduced": "Be2NbSn2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.2752049999999997,
"spacegroup": 139
},
{
"id": "jvasp-88495",
"created_at": "2022-09-04T14:36:09.005626Z",
"updated_at": "2022-09-04T14:36:09.005652Z",
"structure_string": "Sr4 Mn4 O12\n1.0\n5.471405 -0.002734 0.000000\n-2.716442 4.749445 0.000000\n-0.000000 0.000000 9.160096\nSr Mn O\n4 4 12\ndirect\n0.661293 0.338707 0.250000 Sr\n0.020316 0.020316 0.000000 Sr\n0.338706 0.661293 0.750000 Sr\n0.979684 0.979684 0.500000 Sr\n0.682709 0.347117 0.887572 Mn\n0.652883 0.317291 0.612429 Mn\n0.317291 0.652883 0.387572 Mn\n0.347116 0.682709 0.112429 Mn\n0.818967 0.636121 0.732481 O\n0.550922 0.550922 0.000000 O\n0.449077 0.449078 0.500000 O\n0.049511 0.551829 0.980290 O\n0.950488 0.448171 0.480290 O\n0.821006 0.178994 0.750000 O\n0.178993 0.821006 0.250000 O\n0.181032 0.363879 0.232481 O\n0.448170 0.950488 0.519710 O\n0.636120 0.818967 0.267519 O\n0.363879 0.181033 0.767519 O\n0.551829 0.049511 0.019710 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 5.318812267572672,
"density_atomic": 0.08404509692769847,
"volume": 237.9674809252158,
"volume_molar": 7.165368332171322,
"formula_full": "Sr4 Mn4 O12",
"formula_reduced": "SrMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.8203928102758615,
"spacegroup": 20
},
{
"id": "jvasp-94385",
"created_at": "2022-09-04T14:36:09.006232Z",
"updated_at": "2022-09-04T14:36:09.006266Z",
"structure_string": "Mg1 Zn5\n1.0\n2.975116 -0.000000 -0.000000\n-1.487559 2.576526 0.000000\n0.000000 0.000000 12.824073\nMg Zn\n1 5\ndirect\n0.666668 0.333333 0.000000 Mg\n0.000000 0.000000 0.822730 Zn\n0.666668 0.333333 0.660919 Zn\n0.000000 0.000000 0.500000 Zn\n0.666668 0.333333 0.339081 Zn\n0.000000 0.000000 0.177270 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.935053537641397,
"density_atomic": 0.06103610844029718,
"volume": 98.30246641410525,
"volume_molar": 9.866521496681905,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy_above_hull": 0.0073033333333333,
"spacegroup": 187
},
{
"id": "jvasp-92598",
"created_at": "2022-09-04T14:36:09.008972Z",
"updated_at": "2022-09-04T14:36:09.009004Z",
"structure_string": "La1 Mn1 O3\n1.0\n3.885552 -0.000000 0.000000\n-0.000000 3.885552 0.000000\n0.000000 0.000000 3.885552\nLa Mn O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Mn\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"La",
"Mn",
"O"
],
"chemical_system": "La-Mn-O",
"density": 6.8457673383003765,
"density_atomic": 0.08523379545109142,
"volume": 58.662177057093324,
"volume_molar": 7.065437750517172,
"formula_full": "La1 Mn1 O3",
"formula_reduced": "LaMnO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 2.277202548275862,
"spacegroup": 221
},
{
"id": "jvasp-64214",
"created_at": "2022-09-04T14:36:09.011801Z",
"updated_at": "2022-09-04T14:36:09.011830Z",
"structure_string": "Ba4 Be1 Hg1\n1.0\n0.000000 5.009961 5.009961\n5.009961 -0.000000 5.009961\n5.009961 5.009961 -0.000000\nBa Be Hg\n4 1 1\ndirect\n0.125166 0.624944 0.624944 Ba\n0.624944 0.624944 0.624944 Ba\n0.624944 0.125166 0.624944 Ba\n0.624944 0.624944 0.125166 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Hg"
],
"chemical_system": "Ba-Be-Hg",
"density": 5.010792815626882,
"density_atomic": 0.023857131223992366,
"volume": 251.49712862232107,
"volume_molar": 25.24251848832404,
"formula_full": "Ba4 Be1 Hg1",
"formula_reduced": "Ba4BeHg",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-3855",
"created_at": "2022-09-04T14:36:09.011930Z",
"updated_at": "2022-09-04T14:36:09.011954Z",
"structure_string": "Rh2 Cl6\n1.0\n5.934153 0.005140 -0.964929\n-3.207796 4.992418 -0.964929\n0.006443 0.011810 5.980612\nRh Cl\n2 6\ndirect\n0.166583 0.833417 -0.000000 Rh\n0.833416 0.166583 -0.000000 Rh\n0.922019 0.573245 0.231745 Cl\n0.426755 0.077980 0.768254 Cl\n0.775593 0.775595 0.766222 Cl\n0.224406 0.224406 0.233777 Cl\n0.573244 0.922021 0.231745 Cl\n0.077979 0.426756 0.768254 Cl\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rh",
"Cl"
],
"chemical_system": "Cl-Rh",
"density": 3.917298428263509,
"density_atomic": 0.04509225892032714,
"volume": 177.41404381925256,
"volume_molar": 13.355154308504336,
"formula_full": "Rh2 Cl6",
"formula_reduced": "RhCl3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.6310863006249999,
"spacegroup": 12
},
{
"id": "jvasp-93752",
"created_at": "2022-09-04T14:36:09.016543Z",
"updated_at": "2022-09-04T14:36:09.016580Z",
"structure_string": "Er2 Al2 Zn2\n1.0\n-2.229052 -3.860911 0.000000\n-2.229052 3.860911 -0.000000\n0.000000 0.000000 -7.033855\nEr Al Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Er\n0.000000 0.000000 0.000000 Er\n0.666670 0.333329 0.750000 Al\n0.333329 0.666670 0.250000 Al\n0.666664 0.333335 0.250000 Zn\n0.333335 0.666664 0.750000 Zn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Al",
"Zn"
],
"chemical_system": "Al-Er-Zn",
"density": 7.122513004326734,
"density_atomic": 0.04955846575705286,
"volume": 121.06912327377924,
"volume_molar": 12.151588367408177,
"formula_full": "Er2 Al2 Zn2",
"formula_reduced": "ErAlZn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.2794877333333335,
"spacegroup": 194
},
{
"id": "jvasp-16229",
"created_at": "2022-09-04T14:36:09.017374Z",
"updated_at": "2022-09-04T14:36:09.017387Z",
"structure_string": "Er2 Se4\n1.0\n4.049550 0.000000 0.000000\n0.000000 4.049550 0.000000\n0.000000 0.000000 8.218564\nEr Se\n2 4\ndirect\n0.500000 0.000000 0.726539 Er\n0.000000 0.500000 0.273461 Er\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.500000 0.629988 Se\n0.500000 0.000000 0.370012 Se\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Er",
"Se"
],
"chemical_system": "Er-Se",
"density": 8.012944074770486,
"density_atomic": 0.04451862863556849,
"volume": 134.7750410084792,
"volume_molar": 13.52723779813057,
"formula_full": "Er2 Se4",
"formula_reduced": "ErSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6901889111111112,
"spacegroup": 129
}
]
}