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=631",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=629",
"results": [
{
"id": "jvasp-25327",
"created_at": "2022-09-04T14:37:48.882540Z",
"updated_at": "2022-09-04T14:37:48.882565Z",
"structure_string": "Ti1\n1.0\n2.640007 -0.000000 -0.933383\n-1.320003 2.286313 -0.933383\n-0.000000 -0.000000 2.800150\nTi\n1\ndirect\n0.000000 0.000000 0.000000 Ti\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Ti"
],
"chemical_system": "Ti",
"density": 4.702872950573128,
"density_atomic": 0.05916678065167059,
"volume": 16.90137589008343,
"volume_molar": 10.178246464775269,
"formula_full": "Ti1",
"formula_reduced": "Ti",
"formula_anonymous": "A",
"energy_above_hull": 0.1126400000000007,
"spacegroup": 229
},
{
"id": "jvasp-64120",
"created_at": "2022-09-04T14:36:09.908224Z",
"updated_at": "2022-09-04T14:36:09.908253Z",
"structure_string": "Ba4 Mg1 Ni1\n1.0\n0.000000 5.020225 5.020225\n5.020225 -0.000000 5.020225\n5.020225 5.020225 0.000000\nBa Mg Ni\n4 1 1\ndirect\n0.122457 0.625848 0.625848 Ba\n0.625848 0.625848 0.625848 Ba\n0.625848 0.122457 0.625848 Ba\n0.625848 0.625848 0.122457 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ni"
],
"chemical_system": "Ba-Mg-Ni",
"density": 4.149321946673323,
"density_atomic": 0.023711100343180986,
"volume": 253.04603806484775,
"volume_molar": 25.397980999780522,
"formula_full": "Ba4 Mg1 Ni1",
"formula_reduced": "Ba4MgNi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.1126463697222221,
"spacegroup": 216
},
{
"id": "jvasp-117756",
"created_at": "2022-09-04T14:38:46.879427Z",
"updated_at": "2022-09-04T14:38:46.879448Z",
"structure_string": "Ca2 H2 Br2\n1.0\n3.840502 -0.000000 0.000000\n0.000000 3.840502 0.000000\n0.000000 -0.000000 7.916559\nCa H Br\n2 2 2\ndirect\n0.000000 0.499999 0.837599 Ca\n0.499999 0.000000 0.162401 Ca\n0.499999 0.499999 0.000000 H\n0.000000 0.000000 0.000000 H\n0.499999 0.000000 0.669713 Br\n0.000000 0.499999 0.330287 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"H",
"Br"
],
"chemical_system": "Br-Ca-H",
"density": 3.4412475124368407,
"density_atomic": 0.05138528934816275,
"volume": 116.76493557031077,
"volume_molar": 11.71958129727904,
"formula_full": "Ca2 H2 Br2",
"formula_reduced": "CaHBr",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1126548416666669,
"spacegroup": 129
},
{
"id": "jvasp-110457",
"created_at": "2022-09-04T14:38:39.688347Z",
"updated_at": "2022-09-04T14:38:39.688374Z",
"structure_string": "Pm2 Tl1 Hg1\n1.0\n4.686402 0.000000 2.705695\n1.562134 4.418382 2.705695\n-0.000000 0.000000 5.411391\nPm Tl Hg\n2 1 1\ndirect\n0.250000 0.250000 0.250001 Pm\n0.749999 0.750000 0.750002 Pm\n0.000000 0.000000 0.000000 Tl\n0.499999 0.500000 0.500001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Pm",
"Tl",
"Hg"
],
"chemical_system": "Hg-Pm-Tl",
"density": 10.299247664498237,
"density_atomic": 0.03569836088905496,
"volume": 112.04996252997127,
"volume_molar": 16.86951616270532,
"formula_full": "Pm2 Tl1 Hg1",
"formula_reduced": "Pm2TlHg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1126623874999999,
"spacegroup": 225
},
{
"id": "jvasp-102525",
"created_at": "2022-09-04T14:36:53.225230Z",
"updated_at": "2022-09-04T14:36:53.225254Z",
"structure_string": "Li1 Th1 Hg2\n1.0\n4.471408 -0.000000 2.581569\n1.490469 4.215684 2.581569\n-0.000000 -0.000000 5.163137\nLi Th Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500001 Li\n0.000000 0.000000 0.000000 Th\n0.250000 0.250000 0.250000 Hg\n0.750001 0.749999 0.750001 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Th",
"Hg"
],
"chemical_system": "Hg-Li-Th",
"density": 10.922221908323941,
"density_atomic": 0.04109925915388158,
"volume": 97.32535530685408,
"volume_molar": 14.652674729372206,
"formula_full": "Li1 Th1 Hg2",
"formula_reduced": "LiThHg2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.1127087,
"spacegroup": 225
},
{
"id": "jvasp-4059",
"created_at": "2022-09-04T14:36:20.321414Z",
"updated_at": "2022-09-04T14:36:20.321439Z",
"structure_string": "Sm2 Br2 O2\n1.0\n3.957948 0.000000 0.000000\n0.000000 3.957948 0.000000\n0.000000 -0.000000 7.963659\nSm Br O\n2 2 2\ndirect\n0.500000 0.000000 0.851734 Sm\n0.000000 0.500000 0.148266 Sm\n0.000000 0.500000 0.653161 Br\n0.500000 0.000000 0.346839 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sm",
"Br",
"O"
],
"chemical_system": "Br-O-Sm",
"density": 6.555806713380702,
"density_atomic": 0.04809483362567275,
"volume": 124.75352439512824,
"volume_molar": 12.521388070225935,
"formula_full": "Sm2 Br2 O2",
"formula_reduced": "SmBrO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.1129188266666667,
"spacegroup": 129
},
{
"id": "jvasp-93434",
"created_at": "2022-09-04T14:35:51.157699Z",
"updated_at": "2022-09-04T14:35:51.157717Z",
"structure_string": "Sr2 Hg4\n1.0\n4.669017 -0.000000 2.012602\n2.068297 5.811086 1.623883\n0.019301 0.113644 6.377326\nSr Hg\n2 4\ndirect\n0.485475 0.264525 0.764526 Sr\n0.514526 0.735475 0.235474 Sr\n0.833620 0.683605 0.649155 Hg\n0.166381 0.850844 0.816395 Hg\n0.833620 0.149156 0.183605 Hg\n0.166381 0.316395 0.350844 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 9.415286644705432,
"density_atomic": 0.0347996203906047,
"volume": 172.41567386809476,
"volume_molar": 17.30519095439867,
"formula_full": "Sr2 Hg4",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.11292,
"spacegroup": 74
},
{
"id": "jvasp-3294",
"created_at": "2022-09-04T14:36:06.111084Z",
"updated_at": "2022-09-04T14:36:06.111111Z",
"structure_string": "K3 Cu3 As2\n1.0\n5.352376 0.015647 5.389036\n2.231543 4.865017 5.389036\n0.024312 0.015647 7.595331\nK Cu As\n3 3 2\ndirect\n0.089122 0.089123 0.089122 K\n0.910877 0.910879 0.910878 K\n0.500000 0.500001 0.500000 K\n0.500000 0.500001 0.000000 Cu\n-0.000001 0.500001 0.500000 Cu\n0.500000 0.000001 0.500000 Cu\n0.749262 0.749264 0.749263 As\n0.250737 0.250738 0.250737 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"K",
"Cu",
"As"
],
"chemical_system": "As-Cu-K",
"density": 3.8662278975204667,
"density_atomic": 0.04068883214681273,
"volume": 196.61414638627474,
"volume_molar": 14.800475811817398,
"formula_full": "K3 Cu3 As2",
"formula_reduced": "K3Cu3As2",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.11300331875,
"spacegroup": 166
},
{
"id": "jvasp-16556",
"created_at": "2022-09-04T14:37:43.459127Z",
"updated_at": "2022-09-04T14:37:43.459153Z",
"structure_string": "Sr1 Hg2\n1.0\n2.544897 -4.407892 0.000000\n2.544897 4.407892 -0.000000\n0.000000 -0.000000 3.849200\nSr Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333334 0.666668 0.500000 Hg\n0.666668 0.333334 0.500000 Hg\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"Hg"
],
"chemical_system": "Hg-Sr",
"density": 9.398935451773967,
"density_atomic": 0.034739185129478746,
"volume": 86.35781146905141,
"volume_molar": 17.33529654640567,
"formula_full": "Sr1 Hg2",
"formula_reduced": "SrHg2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1130066666666666,
"spacegroup": 191
},
{
"id": "jvasp-35268",
"created_at": "2022-09-04T14:37:29.537514Z",
"updated_at": "2022-09-04T14:37:29.537544Z",
"structure_string": "Na4 Zn6 S8\n1.0\n2.744534 -5.278279 -0.000000\n5.697931 -0.389935 6.456687\n-2.953398 -4.888344 6.456687\nNa Zn S\n4 6 8\ndirect\n0.753006 0.622656 0.377345 Na\n0.246993 0.377344 0.622656 Na\n0.746993 0.122656 0.877345 Na\n0.253007 0.877344 0.122656 Na\n0.750000 0.457035 0.042965 Zn\n0.249999 0.542965 0.957036 Zn\n0.749999 0.042964 0.457036 Zn\n0.250000 0.250000 0.250000 Zn\n0.749999 0.750000 0.750001 Zn\n0.250000 0.957036 0.542965 Zn\n0.089317 0.769443 0.506589 S\n0.589317 0.006588 0.269443 S\n0.134652 0.269442 0.006588 S\n0.910682 0.230557 0.493413 S\n0.365348 0.493412 0.230558 S\n0.410682 0.993412 0.730558 S\n0.865347 0.730557 0.993413 S\n0.634652 0.506588 0.769443 S\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"Zn",
"S"
],
"chemical_system": "Na-S-Zn",
"density": 3.2848402155930705,
"density_atomic": 0.048057223231345376,
"volume": 374.5534758291961,
"volume_molar": 12.531187519948203,
"formula_full": "Na4 Zn6 S8",
"formula_reduced": "Na2Zn3S4",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 0.1130200888888892,
"spacegroup": 72
},
{
"id": "jvasp-86159",
"created_at": "2022-09-04T14:36:02.851669Z",
"updated_at": "2022-09-04T14:36:02.851691Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.5876155527674394,
"density_atomic": 0.030343903280783197,
"volume": 197.7332956963319,
"volume_molar": 19.84629566036688,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1130496783333332,
"spacegroup": 8
},
{
"id": "jvasp-86761",
"created_at": "2022-09-04T14:35:42.001896Z",
"updated_at": "2022-09-04T14:35:42.001927Z",
"structure_string": "Ca3 Si1 Br2\n1.0\n4.428712 0.093828 0.946956\n2.226987 3.829208 0.946957\n0.543117 0.320127 11.959868\nCa Si Br\n3 1 2\ndirect\n0.789264 0.789265 0.517775 Ca\n0.300481 0.300482 0.121533 Ca\n0.753189 0.753190 0.887625 Ca\n0.025307 0.025307 0.006064 Si\n0.404360 0.404361 0.652089 Br\n0.172400 0.172401 0.390917 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ca",
"Si",
"Br"
],
"chemical_system": "Br-Ca-Si",
"density": 2.5876155527674394,
"density_atomic": 0.030343903280783197,
"volume": 197.7332956963319,
"volume_molar": 19.84629566036688,
"formula_full": "Ca3 Si1 Br2",
"formula_reduced": "Ca3SiBr2",
"formula_anonymous": "AB2C3",
"energy_above_hull": 0.1130496783333332,
"spacegroup": 8
}
]
}