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=-formula_anonymous&page=329",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-formula_anonymous&page=327",
"results": [
{
"id": "jvasp-64840",
"created_at": "2022-09-04T14:36:14.563720Z",
"updated_at": "2022-09-04T14:36:14.563738Z",
"structure_string": "Ba4 Sc1 Cu1\n1.0\n0.000000 5.073649 5.073649\n5.073649 -0.000000 5.073649\n5.073649 5.073649 -0.000000\nBa Sc Cu\n4 1 1\ndirect\n0.125807 0.624731 0.624731 Ba\n0.624731 0.624731 0.624731 Ba\n0.624731 0.125807 0.624731 Ba\n0.624731 0.624731 0.125807 Ba\n0.000000 0.000000 0.000000 Sc\n0.250000 0.250000 0.250000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Sc",
"Cu"
],
"chemical_system": "Ba-Cu-Sc",
"density": 4.181751852822342,
"density_atomic": 0.022969947241953094,
"volume": 261.2108742261887,
"volume_molar": 26.21747754387941,
"formula_full": "Ba4 Sc1 Cu1",
"formula_reduced": "Ba4ScCu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3507049299999998,
"spacegroup": 216
},
{
"id": "jvasp-66078",
"created_at": "2022-09-04T14:36:09.102471Z",
"updated_at": "2022-09-04T14:36:09.102498Z",
"structure_string": "Ba4 Ir1 Se1\n1.0\n0.000000 4.730124 4.730124\n4.730124 0.000000 4.730124\n4.730124 4.730124 0.000000\nBa Ir Se\n4 1 1\ndirect\n0.126278 0.624574 0.624574 Ba\n0.624574 0.624574 0.624574 Ba\n0.624574 0.126278 0.624574 Ba\n0.624574 0.624574 0.126278 Ba\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ir",
"Se"
],
"chemical_system": "Ba-Ir-Se",
"density": 6.436831934375061,
"density_atomic": 0.028346776336434332,
"volume": 211.66427987397472,
"volume_molar": 21.24453478775185,
"formula_full": "Ba4 Ir1 Se1",
"formula_reduced": "Ba4IrSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.9999830577777776,
"spacegroup": 216
},
{
"id": "jvasp-93473",
"created_at": "2022-09-04T14:36:17.736609Z",
"updated_at": "2022-09-04T14:36:17.736646Z",
"structure_string": "Th1 U1 O4\n1.0\n0.000043 -2.763861 -2.763842\n0.000051 2.763642 -2.763622\n5.538814 0.000008 -0.000093\nTh U O\n1 1 4\ndirect\n0.499999 0.500000 0.500000 Th\n0.000001 0.999998 0.000001 U\n0.499996 0.000001 0.243264 O\n0.999996 0.500001 0.243269 O\n0.000002 0.499998 0.756732 O\n0.500002 -0.000001 0.756733 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Th",
"U",
"O"
],
"chemical_system": "O-Th-U",
"density": 10.48096258615323,
"density_atomic": 0.07091033806933182,
"volume": 84.61389641286951,
"volume_molar": 8.49261324083932,
"formula_full": "Th1 U1 O4",
"formula_reduced": "ThUO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.874514266666667,
"spacegroup": 123
},
{
"id": "jvasp-69229",
"created_at": "2022-09-04T14:36:21.757040Z",
"updated_at": "2022-09-04T14:36:21.757073Z",
"structure_string": "Ba1 Bi1 P4\n1.0\n0.000000 4.264189 4.264189\n4.264189 -0.000000 4.264189\n4.264189 4.264189 0.000000\nBa Bi P\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Bi\n0.034231 0.655257 0.655257 P\n0.655257 0.655257 0.655257 P\n0.655257 0.034231 0.655257 P\n0.655257 0.655257 0.034231 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"P"
],
"chemical_system": "Ba-Bi-P",
"density": 5.034944075798677,
"density_atomic": 0.0386911749387567,
"volume": 155.07412244516357,
"volume_molar": 15.564636559970841,
"formula_full": "Ba1 Bi1 P4",
"formula_reduced": "BaBiP4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.303717045,
"spacegroup": 216
},
{
"id": "jvasp-66438",
"created_at": "2022-09-04T14:36:17.124488Z",
"updated_at": "2022-09-04T14:36:17.124513Z",
"structure_string": "Ba4 Zr1 W1\n1.0\n-0.000000 4.731542 4.731542\n4.731542 0.000000 4.731542\n4.731542 4.731542 0.000000\nBa Zr W\n4 1 1\ndirect\n0.126493 0.624502 0.624502 Ba\n0.624502 0.624502 0.624502 Ba\n0.624502 0.126493 0.624502 Ba\n0.624502 0.624502 0.126493 Ba\n0.000000 0.000000 0.000000 Zr\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Zr",
"W"
],
"chemical_system": "Ba-W-Zr",
"density": 6.461513197990267,
"density_atomic": 0.028321298162243987,
"volume": 211.85469555907534,
"volume_molar": 21.263646622061643,
"formula_full": "Ba4 Zr1 W1",
"formula_reduced": "Ba4ZrW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.342453063333333,
"spacegroup": 216
},
{
"id": "jvasp-103379",
"created_at": "2022-09-04T14:36:34.107193Z",
"updated_at": "2022-09-04T14:36:34.107217Z",
"structure_string": "Tm1 In1 Co4\n1.0\n4.283531 -0.000000 2.473098\n1.427844 4.038552 2.473098\n-0.000000 -0.000000 4.946195\nTm In Co\n1 1 4\ndirect\n0.749999 0.750000 0.750002 Tm\n0.000000 0.000000 0.000000 In\n0.374587 0.374588 0.374589 Co\n0.876235 0.374588 0.374589 Co\n0.374587 0.876235 0.374589 Co\n0.374587 0.374588 0.876237 Co\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"In",
"Co"
],
"chemical_system": "Co-In-Tm",
"density": 10.081456336645354,
"density_atomic": 0.07012169781389027,
"volume": 85.56552660667995,
"volume_molar": 8.588127423815864,
"formula_full": "Tm1 In1 Co4",
"formula_reduced": "TmInCo4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.5574779699999994,
"spacegroup": 216
},
{
"id": "jvasp-67595",
"created_at": "2022-09-04T14:36:17.745517Z",
"updated_at": "2022-09-04T14:36:17.745544Z",
"structure_string": "Be1 Nb4 Ru1\n1.0\n0.000000 3.741972 3.741972\n3.741972 -0.000000 3.741972\n3.741972 3.741972 -0.000000\nBe Nb Ru\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.124557 0.625147 0.625147 Nb\n0.625147 0.625147 0.625147 Nb\n0.625147 0.124557 0.625147 Nb\n0.625147 0.625147 0.124557 Nb\n0.250000 0.250000 0.250000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Nb",
"Ru"
],
"chemical_system": "Be-Nb-Ru",
"density": 7.633102453270914,
"density_atomic": 0.05725582202750522,
"volume": 104.79283656285033,
"volume_molar": 10.517953540352655,
"formula_full": "Be1 Nb4 Ru1",
"formula_reduced": "BeNb4Ru",
"formula_anonymous": "ABC4",
"energy_above_hull": 5.322154033333334,
"spacegroup": 216
},
{
"id": "jvasp-65197",
"created_at": "2022-09-04T14:36:01.850329Z",
"updated_at": "2022-09-04T14:36:01.850355Z",
"structure_string": "Be1 Cd4 Se1\n1.0\n0.000000 4.075154 4.075154\n4.075154 -0.000000 4.075154\n4.075154 4.075154 -0.000000\nBe Cd Se\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.123764 0.625412 0.625412 Cd\n0.625412 0.625412 0.625412 Cd\n0.625412 0.123764 0.625412 Cd\n0.625412 0.625412 0.123764 Cd\n0.250000 0.250000 0.250000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Cd",
"Se"
],
"chemical_system": "Be-Cd-Se",
"density": 6.5956766742706545,
"density_atomic": 0.04432912700566699,
"volume": 135.35118792736355,
"volume_molar": 13.585065095529934,
"formula_full": "Be1 Cd4 Se1",
"formula_reduced": "BeCd4Se",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-99653",
"created_at": "2022-09-04T14:36:42.231470Z",
"updated_at": "2022-09-04T14:36:42.231502Z",
"structure_string": "Pr1 Al1 Cu4\n1.0\n5.313592 -0.000000 0.000000\n-2.656796 4.601706 0.000000\n-0.000000 -0.000000 4.008251\nPr Al Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Pr\n0.333333 0.666667 -0.000000 Al\n0.666666 0.333334 -0.000000 Cu\n0.500897 0.001794 0.500000 Cu\n0.998206 0.499104 0.500000 Cu\n0.500896 0.499104 0.500000 Cu\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Pr",
"Al",
"Cu"
],
"chemical_system": "Al-Cu-Pr",
"density": 7.151133412126446,
"density_atomic": 0.06121942806994058,
"volume": 98.00810280594678,
"volume_molar": 9.83697651196604,
"formula_full": "Pr1 Al1 Cu4",
"formula_reduced": "PrAlCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.2720657416666666,
"spacegroup": 187
},
{
"id": "jvasp-105355",
"created_at": "2022-09-04T14:36:48.249011Z",
"updated_at": "2022-09-04T14:36:48.249021Z",
"structure_string": "Tm1 Pa1 O4\n1.0\n3.783793 -0.000000 0.000000\n0.000000 3.783793 0.000000\n-0.000000 -0.000000 5.326341\nTm Pa O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.500000 0.500000 0.500000 Pa\n0.500000 0.000000 0.744508 O\n-0.000000 0.500000 0.255492 O\n0.500000 0.000000 0.255492 O\n-0.000000 0.500000 0.744508 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Tm",
"Pa",
"O"
],
"chemical_system": "O-Pa-Tm",
"density": 10.103064589424797,
"density_atomic": 0.07868057849361897,
"volume": 76.25770062794598,
"volume_molar": 7.653910120257184,
"formula_full": "Tm1 Pa1 O4",
"formula_reduced": "TmPaO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2432285583333336,
"spacegroup": 123
},
{
"id": "jvasp-105454",
"created_at": "2022-09-04T14:36:57.581689Z",
"updated_at": "2022-09-04T14:36:57.581714Z",
"structure_string": "Li1 B1 H4\n1.0\n3.494483 -0.000000 2.017541\n1.164828 3.294630 2.017541\n-0.000000 -0.000000 4.035082\nLi B H\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 B\n0.622759 0.622759 0.131722 H\n0.622758 0.131722 0.622759 H\n0.131723 0.622759 0.622758 H\n0.622759 0.622759 0.622758 H\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"B",
"H"
],
"chemical_system": "B-H-Li",
"density": 0.7786458899287863,
"density_atomic": 0.12915442934462393,
"volume": 46.45601417191931,
"volume_molar": 4.662744274864215,
"formula_full": "Li1 B1 H4",
"formula_reduced": "LiBH4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.805477097222223,
"spacegroup": 216
},
{
"id": "jvasp-11747",
"created_at": "2022-09-04T14:36:48.905960Z",
"updated_at": "2022-09-04T14:36:48.905982Z",
"structure_string": "Yb2 Cr2 O8\n1.0\n5.698758 -0.048498 -1.634556\n-3.246570 4.683799 -1.634556\n0.025656 0.048498 5.928487\nYb Cr O\n2 2 8\ndirect\n0.125000 0.875000 0.250000 Yb\n0.875001 0.125000 0.750000 Yb\n0.375001 0.625000 0.750000 Cr\n0.625000 0.375000 0.249999 Cr\n0.789945 0.722629 0.432684 O\n0.357260 0.789945 0.567315 O\n0.722631 0.789945 0.932685 O\n0.789945 0.357259 0.067314 O\n0.642741 0.210055 0.432685 O\n0.210056 0.277371 0.567315 O\n0.210056 0.642741 0.932685 O\n0.277371 0.210055 0.067315 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Yb",
"Cr",
"O"
],
"chemical_system": "Cr-O-Yb",
"density": 6.067031754523331,
"density_atomic": 0.07584552092110126,
"volume": 158.21633043410787,
"volume_molar": 7.940008436707247,
"formula_full": "Yb2 Cr2 O8",
"formula_reduced": "YbCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.0704186833333336,
"spacegroup": 141
}
]
}