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=-energy_above_hull&page=424",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=422",
"results": [
{
"id": "jvasp-16047",
"created_at": "2022-09-04T14:36:16.952727Z",
"updated_at": "2022-09-04T14:36:16.952752Z",
"structure_string": "Lu1 C2\n1.0\n3.165303 -0.000000 -1.623372\n-0.832571 3.053845 -1.623372\n0.017490 0.022896 3.931691\nLu C\n1 2\ndirect\n0.000000 0.000000 0.000000 Lu\n0.607488 0.607488 0.214978 C\n0.392511 0.392511 0.785022 C\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Lu",
"C"
],
"chemical_system": "C-Lu",
"density": 8.640813208047062,
"density_atomic": 0.07845109579911567,
"volume": 38.24038363570974,
"volume_molar": 7.676299099021488,
"formula_full": "Lu1 C2",
"formula_reduced": "LuC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.8504619166666663,
"spacegroup": 139
},
{
"id": "jvasp-9266",
"created_at": "2022-09-04T14:38:28.623346Z",
"updated_at": "2022-09-04T14:38:28.623368Z",
"structure_string": "Mg1 Mo4 O8\n1.0\n2.797382 -0.007465 -0.008666\n-1.378272 7.414375 0.189789\n-1.377138 -0.750903 7.559524\nMg Mo O\n1 4 8\ndirect\n0.449251 0.103786 0.806729 Mg\n0.808446 0.194888 0.433980 Mo\n0.653955 0.486895 0.833021 Mo\n0.307748 0.506364 0.121103 Mo\n0.143742 0.789371 0.510080 Mo\n0.504275 0.665508 0.355013 O\n0.793423 0.348103 0.250750 O\n0.165742 0.639241 0.704171 O\n0.446792 0.299711 0.605880 O\n0.178419 0.006987 0.361793 O\n0.095838 0.285986 0.917697 O\n0.811861 0.978697 0.657013 O\n0.853548 0.685101 0.033973 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Mg",
"Mo",
"O"
],
"chemical_system": "Mg-Mo-O",
"density": 5.669151333996158,
"density_atomic": 0.0827939763767657,
"volume": 157.0162537047582,
"volume_molar": 7.273646010907118,
"formula_full": "Mg1 Mo4 O8",
"formula_reduced": "Mg(MoO2)4",
"formula_anonymous": "AB4C8",
"energy_above_hull": 3.850408511538462,
"spacegroup": 8
},
{
"id": "jvasp-65181",
"created_at": "2022-09-04T14:36:16.680969Z",
"updated_at": "2022-09-04T14:36:16.680997Z",
"structure_string": "Sc4 Be1 W1\n1.0\n-0.000000 3.867496 3.867496\n3.867496 -0.000000 3.867496\n3.867496 3.867496 0.000000\nSc Be W\n4 1 1\ndirect\n0.129173 0.623609 0.623609 Sc\n0.623609 0.623609 0.623609 Sc\n0.623609 0.129173 0.623609 Sc\n0.623609 0.623609 0.129173 Sc\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sc",
"Be",
"W"
],
"chemical_system": "Be-Sc-W",
"density": 5.348853579228725,
"density_atomic": 0.05185989523905022,
"volume": 115.69633861277129,
"volume_molar": 11.612327275712197,
"formula_full": "Sc4 Be1 W1",
"formula_reduced": "Sc4BeW",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.8503511833333337,
"spacegroup": 216
},
{
"id": "jvasp-75625",
"created_at": "2022-09-04T14:36:01.571150Z",
"updated_at": "2022-09-04T14:36:01.571168Z",
"structure_string": "As1 Os2 Cl1\n1.0\n0.000000 3.177560 3.177560\n3.177560 0.000000 3.177560\n3.177560 3.177560 0.000000\nAs Os Cl\n1 2 1\ndirect\n0.500000 0.500000 0.500000 As\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"As",
"Os",
"Cl"
],
"chemical_system": "As-Cl-Os",
"density": 12.702025837273425,
"density_atomic": 0.06233740453965706,
"volume": 64.16693202963444,
"volume_molar": 9.660557420495278,
"formula_full": "As1 Os2 Cl1",
"formula_reduced": "AsOs2Cl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.849956454375,
"spacegroup": 216
},
{
"id": "jvasp-100802",
"created_at": "2022-09-04T14:37:00.117863Z",
"updated_at": "2022-09-04T14:37:00.117893Z",
"structure_string": "Ta2 Fe1 S4\n1.0\n3.333735 -0.000000 0.000000\n-1.666867 2.887099 0.000000\n-0.000000 -0.000000 11.889075\nTa Fe S\n2 1 4\ndirect\n0.000000 0.000000 0.258252 Ta\n0.000000 0.000000 0.741749 Ta\n0.000000 0.000000 0.500000 Fe\n0.333332 0.666667 0.395449 S\n0.666665 0.333333 0.604551 S\n0.666665 0.333333 0.873322 S\n0.333332 0.666667 0.126678 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ta",
"Fe",
"S"
],
"chemical_system": "Fe-S-Ta",
"density": 7.9232165722212216,
"density_atomic": 0.06117263983379632,
"volume": 114.43024232759494,
"volume_molar": 9.844500378538383,
"formula_full": "Ta2 Fe1 S4",
"formula_reduced": "Ta2FeS4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.849854842857142,
"spacegroup": 164
},
{
"id": "jvasp-41162",
"created_at": "2022-09-04T14:37:36.953821Z",
"updated_at": "2022-09-04T14:37:36.953849Z",
"structure_string": "Hf1 Al1 Ru2\n1.0\n0.000003 3.131023 3.131032\n3.131030 0.000002 3.131034\n3.131028 3.131024 0.000002\nHf Al Ru\n1 1 2\ndirect\n0.749998 0.750000 0.750000 Hf\n0.249999 0.250000 0.250000 Al\n-0.000000 0.000000 -0.000000 Ru\n0.499999 0.500000 0.500000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Al",
"Ru"
],
"chemical_system": "Al-Hf-Ru",
"density": 11.025670115757126,
"density_atomic": 0.06515825107543771,
"volume": 61.38900191426185,
"volume_molar": 9.242330266089857,
"formula_full": "Hf1 Al1 Ru2",
"formula_reduced": "HfAlRu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.8496567000000006,
"spacegroup": 225
},
{
"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-12703",
"created_at": "2022-09-04T14:38:07.821015Z",
"updated_at": "2022-09-04T14:38:07.821044Z",
"structure_string": "Sc1 Mo3 O8\n1.0\n4.844716 0.002662 0.044884\n-0.025074 5.739951 0.007896\n-0.023010 -2.844139 4.985778\nSc Mo O\n1 3 8\ndirect\n0.264919 0.675526 0.324795 Sc\n0.747376 0.148002 0.852350 Mo\n0.743382 0.691243 0.837043 Mo\n0.743354 0.163312 0.309113 Mo\n0.530408 0.007853 0.507587 O\n0.951694 0.332341 0.668031 O\n-0.004612 0.832400 0.664600 O\n0.975868 0.835914 0.164449 O\n0.530414 0.492743 0.992487 O\n0.460501 -0.013221 0.013533 O\n0.522210 0.500214 0.500116 O\n0.995387 0.335749 0.167976 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc",
"density": 5.5138457886595855,
"density_atomic": 0.08647718040027534,
"volume": 138.76493133166252,
"volume_molar": 6.963849575258383,
"formula_full": "Sc1 Mo3 O8",
"formula_reduced": "ScMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.8492050791666665,
"spacegroup": 8
},
{
"id": "jvasp-51368",
"created_at": "2022-09-04T14:37:16.154836Z",
"updated_at": "2022-09-04T14:37:16.154858Z",
"structure_string": "Sc1 Mo3 O8\n1.0\n4.844790 0.001342 0.033559\n-0.023091 5.739839 -0.004013\n-0.012225 -2.833610 4.991807\nSc Mo O\n1 3 8\ndirect\n0.264942 0.675527 0.324830 Sc\n0.743361 0.691250 0.837050 Mo\n0.747376 0.148012 0.852347 Mo\n0.743373 0.163287 0.309096 Mo\n0.530418 0.007848 0.507586 O\n0.951694 0.332333 0.668015 O\n-0.004613 0.832396 0.664610 O\n0.975875 0.835891 0.164440 O\n0.530389 0.492750 0.992480 O\n0.460483 0.986821 0.013539 O\n0.995380 0.335754 0.167969 O\n0.522219 0.500214 0.500128 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sc",
"Mo",
"O"
],
"chemical_system": "Mo-O-Sc",
"density": 5.513908491075859,
"density_atomic": 0.08647816380249067,
"volume": 138.7633533409319,
"volume_molar": 6.963770384572569,
"formula_full": "Sc1 Mo3 O8",
"formula_reduced": "ScMo3O8",
"formula_anonymous": "AB3C8",
"energy_above_hull": 3.849202579166666,
"spacegroup": 8
},
{
"id": "jvasp-65173",
"created_at": "2022-09-04T14:35:41.448536Z",
"updated_at": "2022-09-04T14:35:41.448593Z",
"structure_string": "Be1 Sn1 Ru4\n1.0\n0.000000 3.610457 3.610457\n3.610457 0.000000 3.610457\n3.610457 3.610457 -0.000000\nBe Sn Ru\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.250000 0.250000 Sn\n0.123845 0.625386 0.625386 Ru\n0.625386 0.625386 0.625386 Ru\n0.625386 0.123845 0.625386 Ru\n0.625386 0.625386 0.123845 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Be",
"Sn",
"Ru"
],
"chemical_system": "Be-Ru-Sn",
"density": 9.385252998752446,
"density_atomic": 0.06374332650338402,
"volume": 94.12750054206022,
"volume_molar": 9.447484294187717,
"formula_full": "Be1 Sn1 Ru4",
"formula_reduced": "BeSnRu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.8491799666666666,
"spacegroup": 216
},
{
"id": "jvasp-41250",
"created_at": "2022-09-04T14:37:37.916516Z",
"updated_at": "2022-09-04T14:37:37.916542Z",
"structure_string": "Mn2 Nb1 Al1\n1.0\n0.000000 3.003276 3.003276\n3.003276 0.000000 3.003276\n3.003276 3.003276 -0.000000\nMn Nb Al\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.750001 0.750001 0.750001 Nb\n0.250001 0.250001 0.250001 Al\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Nb",
"Al"
],
"chemical_system": "Al-Mn-Nb",
"density": 7.042313666639707,
"density_atomic": 0.07383193642841408,
"volume": 54.17709724948522,
"volume_molar": 8.15655264011522,
"formula_full": "Mn2 Nb1 Al1",
"formula_reduced": "Mn2NbAl",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.848736670689655,
"spacegroup": 225
},
{
"id": "jvasp-123559",
"created_at": "2022-09-04T14:38:54.026273Z",
"updated_at": "2022-09-04T14:38:54.026299Z",
"structure_string": "P3 C1\n1.0\n2.933843 0.000000 -0.939453\n0.116685 4.892153 0.364399\n-0.056471 0.336019 4.874456\nP C\n3 1\ndirect\n0.581895 0.065853 0.163790 P\n0.096940 0.362514 0.193878 P\n0.881951 0.705185 0.763902 P\n0.439217 0.866447 0.878434 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"P",
"C"
],
"chemical_system": "C-P",
"density": 2.5141017113396518,
"density_atomic": 0.05771462057670928,
"volume": 69.30652857162157,
"volume_molar": 10.43434176613167,
"formula_full": "P3 C1",
"formula_reduced": "P3C",
"formula_anonymous": "AB3",
"energy_above_hull": 3.848249125,
"spacegroup": 8
}
]
}