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=1150",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-energy_above_hull&page=1148",
"results": [
{
"id": "jvasp-85012",
"created_at": "2022-09-04T14:37:02.869079Z",
"updated_at": "2022-09-04T14:37:02.869105Z",
"structure_string": "Na3 Mn4 O8\n1.0\n4.855880 0.000000 -1.302675\n0.000000 6.112591 0.000000\n-0.118490 0.000000 5.622931\nNa Mn O\n3 4 8\ndirect\n0.500000 0.500000 -0.000000 Na\n0.000000 0.234754 0.000000 Na\n0.000000 0.765246 0.000000 Na\n-0.000000 0.000000 0.500000 Mn\n0.500000 0.747787 0.499999 Mn\n0.500000 0.252213 0.499999 Mn\n-0.000000 0.500000 0.500000 Mn\n0.233182 0.732263 0.687778 O\n0.766818 0.267736 0.312221 O\n0.766818 0.732263 0.312221 O\n0.233182 0.267736 0.687778 O\n0.744738 0.500000 0.699023 O\n0.255262 0.500000 0.300976 O\n0.738671 0.000000 0.690620 O\n0.261329 0.000000 0.309379 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Na",
"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 4.169615712319062,
"density_atomic": 0.09038519505971271,
"volume": 165.9563824594315,
"volume_molar": 6.662751301273943,
"formula_full": "Na3 Mn4 O8",
"formula_reduced": "Na3Mn4O8",
"formula_anonymous": "A3B4C8",
"energy_above_hull": 2.701374264367816,
"spacegroup": 10
},
{
"id": "jvasp-38826",
"created_at": "2022-09-04T14:38:04.230344Z",
"updated_at": "2022-09-04T14:38:04.230380Z",
"structure_string": "Zr1 Al1 Rh2\n1.0\n0.000000 3.168651 3.168651\n3.168651 -0.000000 3.168651\n3.168651 3.168651 -0.000000\nZr Al Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Zr\n0.249999 0.249999 0.249999 Al\n0.000000 0.000000 0.000000 Rh\n0.500000 0.500000 0.500000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"Rh"
],
"chemical_system": "Al-Rh-Zr",
"density": 8.455962651571191,
"density_atomic": 0.06286468905160071,
"volume": 63.6287248111052,
"volume_molar": 9.579528429794498,
"formula_full": "Zr1 Al1 Rh2",
"formula_reduced": "ZrAlRh2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.701253325,
"spacegroup": 225
},
{
"id": "jvasp-12616",
"created_at": "2022-09-04T14:37:07.664977Z",
"updated_at": "2022-09-04T14:37:07.664994Z",
"structure_string": "Ba2 Nd2 Co4 O11\n1.0\n3.830185 0.000000 0.000000\n0.000000 7.585376 0.000000\n0.000000 0.000000 7.984018\nBa Nd Co O\n2 2 4 11\ndirect\n0.500001 0.000000 0.752719 Ba\n0.500001 0.000000 0.247282 Ba\n0.500001 0.500000 0.268450 Nd\n0.500001 0.500000 0.731550 Nd\n0.000000 0.254162 0.000000 Co\n0.000000 0.745839 0.000000 Co\n0.000000 0.751921 0.500000 Co\n0.000000 0.248079 0.500000 Co\n0.000000 0.000000 0.000000 O\n0.500001 0.695221 0.000000 O\n0.500001 0.304780 0.000000 O\n0.500001 0.732916 0.500000 O\n0.000000 0.711579 0.235271 O\n0.000000 0.711579 0.764730 O\n0.000000 0.288421 0.235271 O\n0.000000 0.500000 0.500000 O\n0.000000 0.288421 0.764730 O\n0.500001 0.267085 0.500000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Ba",
"Nd",
"Co",
"O"
],
"chemical_system": "Ba-Co-Nd-O",
"density": 6.978704974278444,
"density_atomic": 0.08190967998749013,
"volume": 231.9628156635678,
"volume_molar": 7.352172247431253,
"formula_full": "Ba2 Nd2 Co4 O11",
"formula_reduced": "Ba2Nd2Co4O11",
"formula_anonymous": "A2B2C4D11",
"energy_above_hull": 2.7011519494736844,
"spacegroup": 47
},
{
"id": "jvasp-97609",
"created_at": "2022-09-04T14:35:51.284650Z",
"updated_at": "2022-09-04T14:35:51.284662Z",
"structure_string": "Sc24 Co8\n1.0\n5.756064 0.000000 0.000000\n-0.000000 8.535405 0.000000\n0.000000 0.000000 12.912447\nSc Co\n24 8\ndirect\n0.549560 0.750000 0.645329 Sc\n0.745595 0.435473 0.035537 Sc\n0.245595 0.564527 0.464463 Sc\n0.254405 0.935474 0.964463 Sc\n0.754404 0.064527 0.535537 Sc\n0.254405 0.564527 0.964463 Sc\n0.754404 0.435473 0.535537 Sc\n0.745595 0.064527 0.035537 Sc\n0.245595 0.935474 0.464463 Sc\n0.407583 0.567107 0.212965 Sc\n0.092417 0.932894 0.712965 Sc\n0.592417 0.067107 0.787035 Sc\n0.907582 0.432893 0.287035 Sc\n0.592417 0.432893 0.787035 Sc\n0.049560 0.250000 0.854671 Sc\n0.092417 0.567107 0.712965 Sc\n0.950439 0.750000 0.145329 Sc\n0.785532 0.750000 0.891503 Sc\n0.285533 0.250000 0.608497 Sc\n0.450440 0.250000 0.354671 Sc\n0.714467 0.750000 0.391503 Sc\n0.407583 0.932894 0.212965 Sc\n0.907582 0.067107 0.287035 Sc\n0.214467 0.250000 0.108497 Sc\n0.628537 0.250000 0.180498 Co\n0.949717 0.750000 0.560438 Co\n0.449717 0.250000 0.939562 Co\n0.050283 0.250000 0.439562 Co\n0.550282 0.750000 0.060438 Co\n0.371463 0.750000 0.819503 Co\n0.871462 0.250000 0.680498 Co\n0.128537 0.750000 0.319502 Co\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Sc",
"Co"
],
"chemical_system": "Co-Sc",
"density": 4.058229883028836,
"density_atomic": 0.0504419281669677,
"volume": 634.3928783625574,
"volume_molar": 11.938760033252747,
"formula_full": "Sc24 Co8",
"formula_reduced": "Sc3Co",
"formula_anonymous": "AB3",
"energy_above_hull": 2.7010591625,
"spacegroup": 62
},
{
"id": "jvasp-44966",
"created_at": "2022-09-04T14:38:07.456994Z",
"updated_at": "2022-09-04T14:38:07.457017Z",
"structure_string": "Be2 Co4 O8\n1.0\n-3.866298 3.866298 0.000000\n3.866298 0.000000 3.866298\n3.866298 3.866298 0.000000\nBe Co O\n2 4 8\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.500000 0.250000 Be\n0.625000 0.250000 0.125000 Co\n0.625000 0.250000 0.625000 Co\n0.625000 0.750000 0.625000 Co\n0.125000 0.750000 0.625000 Co\n0.867609 0.245073 0.377465 O\n0.872536 0.254927 0.872536 O\n0.872536 0.745073 0.382392 O\n0.377465 0.245073 0.377465 O\n0.377465 0.754928 0.377465 O\n0.382392 0.254927 0.872536 O\n0.872536 0.745073 0.872536 O\n0.377465 0.754928 0.867609 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Be",
"Co",
"O"
],
"chemical_system": "Be-Co-O",
"density": 5.4842196403463195,
"density_atomic": 0.12111894118997112,
"volume": 115.58885722127852,
"volume_molar": 4.97208834624344,
"formula_full": "Be2 Co4 O8",
"formula_reduced": "Be(CoO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7009359857142856,
"spacegroup": 227
},
{
"id": "jvasp-112783",
"created_at": "2022-09-04T14:38:43.359804Z",
"updated_at": "2022-09-04T14:38:43.359831Z",
"structure_string": "Ca4 Cr8 O16\n1.0\n3.004031 -0.000006 0.000012\n0.000019 9.071385 0.000001\n-0.000043 -0.000008 10.640357\nCa Cr O\n4 8 16\ndirect\n0.750000 0.240342 0.340705 Ca\n0.250001 0.759657 0.659295 Ca\n0.750000 0.740342 0.159295 Ca\n0.250001 0.259657 0.840705 Ca\n0.250001 0.915675 0.398968 Cr\n0.750000 0.084323 0.601032 Cr\n0.750000 0.560162 0.387060 Cr\n0.250001 0.439837 0.612939 Cr\n0.750001 0.584323 0.898968 Cr\n0.250001 0.939837 0.887060 Cr\n0.750000 0.060162 0.112939 Cr\n0.250000 0.415676 0.101032 Cr\n0.750000 0.471030 0.214090 O\n0.250000 0.418958 0.426546 O\n0.750000 0.581041 0.573453 O\n0.250001 0.028969 0.714090 O\n0.750000 0.971030 0.285910 O\n0.250001 0.528969 0.785910 O\n0.250000 0.617205 0.024274 O\n0.250000 0.201515 0.161905 O\n0.250000 0.117205 0.475725 O\n0.750001 0.882794 0.524274 O\n0.250000 0.701515 0.338095 O\n0.750001 0.298484 0.661905 O\n0.750001 0.081041 0.926547 O\n0.750001 0.798484 0.838095 O\n0.750001 0.382794 0.975725 O\n0.250000 0.918958 0.073453 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-O",
"density": 4.766282231953796,
"density_atomic": 0.09656590668446711,
"volume": 289.95740796481203,
"volume_molar": 6.2363011613172965,
"formula_full": "Ca4 Cr8 O16",
"formula_reduced": "CaCr2O4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.7009341742857145,
"spacegroup": 62
},
{
"id": "jvasp-108962",
"created_at": "2022-09-04T14:38:06.184423Z",
"updated_at": "2022-09-04T14:38:06.184451Z",
"structure_string": "Co1 H2 O2\n1.0\n3.402697 -0.000000 0.000000\n-1.701349 2.946822 0.000000\n-0.000000 -0.000000 4.196252\nCo H O\n1 2 2\ndirect\n0.666667 0.333333 0.972389 Co\n0.333333 0.666666 0.024253 H\n0.000000 0.000000 0.440378 H\n0.333333 0.666666 0.786141 O\n0.000000 0.000000 0.207039 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"H",
"O"
],
"chemical_system": "Co-H-O",
"density": 3.6681730838079996,
"density_atomic": 0.1188314130385927,
"volume": 42.07641626188656,
"volume_molar": 5.0678020281086775,
"formula_full": "Co1 H2 O2",
"formula_reduced": "Co(HO)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.70092958,
"spacegroup": 156
},
{
"id": "jvasp-56300",
"created_at": "2022-09-04T14:37:52.930340Z",
"updated_at": "2022-09-04T14:37:52.930356Z",
"structure_string": "U8 Al16\n1.0\n2.810437 -4.867819 -0.000000\n2.810437 4.867819 0.000000\n-0.000000 -0.000000 16.983342\nU Al\n8 16\ndirect\n0.333334 0.666668 0.172175 U\n0.000000 0.000000 0.922748 U\n0.000000 0.000000 0.077252 U\n0.666668 0.333334 0.827825 U\n0.000000 0.000000 0.422748 U\n0.666668 0.333334 0.672175 U\n0.000000 0.000000 0.577252 U\n0.333334 0.666668 0.327825 U\n0.500001 0.500001 0.000000 Al\n0.666668 0.333334 0.127638 Al\n0.684776 0.842388 0.750000 Al\n0.333334 0.666668 0.627638 Al\n0.157613 0.842388 0.750000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.842388 0.157613 0.250000 Al\n0.157613 0.315225 0.750000 Al\n0.333334 0.666668 0.872362 Al\n0.315225 0.157613 0.250000 Al\n0.500001 0.500001 0.500000 Al\n0.842388 0.684776 0.250000 Al\n0.666668 0.333334 0.372362 Al\n0.000000 0.500000 0.000000 Al\n",
"nsites": 24,
"nelements": 2,
"elements": [
"U",
"Al"
],
"chemical_system": "Al-U",
"density": 8.34734938102849,
"density_atomic": 0.05164756072062272,
"volume": 464.68796715924805,
"volume_molar": 11.660068115463536,
"formula_full": "U8 Al16",
"formula_reduced": "UAl2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.700643866666667,
"spacegroup": 194
},
{
"id": "jvasp-59655",
"created_at": "2022-09-04T14:37:03.434590Z",
"updated_at": "2022-09-04T14:37:03.434609Z",
"structure_string": "V4 As4 Rh4\n1.0\n3.913614 0.000000 0.000000\n0.000000 6.132480 0.000000\n0.000000 0.000000 7.319803\nV As Rh\n4 4 4\ndirect\n0.250000 0.468406 0.182896 V\n0.250000 0.968406 0.317104 V\n0.749999 0.531594 0.817103 V\n0.749999 0.031594 0.682896 V\n0.749999 0.238225 0.383128 As\n0.250000 0.261775 0.883128 As\n0.749999 0.738225 0.116872 As\n0.250000 0.761775 0.616872 As\n0.250000 0.355465 0.563708 Rh\n0.250000 0.855465 0.936291 Rh\n0.749999 0.144535 0.063708 Rh\n0.749999 0.644535 0.436291 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"As",
"Rh"
],
"chemical_system": "As-Rh-V",
"density": 8.649519474887365,
"density_atomic": 0.06830739507362511,
"volume": 175.6764401140726,
"volume_molar": 8.81623542152213,
"formula_full": "V4 As4 Rh4",
"formula_reduced": "VAsRh",
"formula_anonymous": "ABC",
"energy_above_hull": 2.700186316666666,
"spacegroup": 62
},
{
"id": "jvasp-106306",
"created_at": "2022-09-04T14:38:17.852673Z",
"updated_at": "2022-09-04T14:38:17.852699Z",
"structure_string": "Ba2 Hf1 U1 O6\n1.0\n5.288215 0.000000 3.053152\n1.762738 4.985777 3.053153\n0.000000 -0.000000 6.106305\nBa Hf U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750000 0.749999 Ba\n0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 U\n0.757652 0.242349 0.242348 O\n0.242349 0.757652 0.757651 O\n0.242349 0.757652 0.242348 O\n0.757652 0.242349 0.757651 O\n0.242349 0.242349 0.757652 O\n0.757652 0.757652 0.242347 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Hf",
"U",
"O"
],
"chemical_system": "Ba-Hf-O-U",
"density": 8.118892754927264,
"density_atomic": 0.06211257779144436,
"volume": 160.99798713196284,
"volume_molar": 9.69552540585349,
"formula_full": "Ba2 Hf1 U1 O6",
"formula_reduced": "Ba2HfUO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.700070194,
"spacegroup": 225
},
{
"id": "jvasp-40730",
"created_at": "2022-09-04T14:37:59.725673Z",
"updated_at": "2022-09-04T14:37:59.725689Z",
"structure_string": "Cr2 Sb2 O8\n1.0\n6.300873 0.000000 -0.000000\n3.150436 5.206565 0.055968\n3.150436 1.788289 4.890141\nCr Sb O\n2 2 8\ndirect\n0.500000 0.000000 0.500000 Cr\n0.500000 0.499999 0.000000 Cr\n0.000001 0.500000 0.500000 Sb\n0.500000 0.500000 0.500000 Sb\n0.272770 0.266814 0.266814 O\n0.263544 0.258099 0.714812 O\n0.263545 0.714811 0.258099 O\n0.693603 0.266814 0.266814 O\n0.306398 0.733185 0.733186 O\n0.736457 0.741900 0.285188 O\n0.736456 0.285188 0.741901 O\n0.727231 0.733185 0.733186 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 4.94132658113409,
"density_atomic": 0.07509628045242424,
"volume": 159.79486504131668,
"volume_molar": 8.019226416700103,
"formula_full": "Cr2 Sb2 O8",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.7000112500000006,
"spacegroup": 74
},
{
"id": "jvasp-110540",
"created_at": "2022-09-04T14:38:39.679205Z",
"updated_at": "2022-09-04T14:38:39.679226Z",
"structure_string": "Sr1 Nb1 N1 O2\n1.0\n4.080223 0.000000 -0.000000\n0.000000 4.080223 -0.000000\n-0.000000 -0.000000 4.107939\nSr Nb N O\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Nb\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sr",
"Nb",
"N",
"O"
],
"chemical_system": "N-Nb-O-Sr",
"density": 5.500303341331534,
"density_atomic": 0.07311024160405952,
"volume": 68.38987110832322,
"volume_molar": 8.237068607451592,
"formula_full": "Sr1 Nb1 N1 O2",
"formula_reduced": "SrNbNO2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 2.699931192,
"spacegroup": 123
}
]
}