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=nelements&page=469",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=467",
"results": [
{
"id": "jvasp-20207",
"created_at": "2022-09-04T14:38:29.129477Z",
"updated_at": "2022-09-04T14:38:29.129502Z",
"structure_string": "Th2 Os4\n1.0\n4.751457 -0.000000 2.743255\n1.583819 4.479717 2.743255\n-0.000000 0.000000 5.486511\nTh Os\n2 4\ndirect\n0.875001 0.875001 0.875001 Th\n0.125000 0.125000 0.125000 Th\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.500000 Os\n0.500000 0.500000 0.000001 Os\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Th",
"Os"
],
"chemical_system": "Os-Th",
"density": 17.418476787924387,
"density_atomic": 0.05137804962741759,
"volume": 116.78138900777066,
"volume_molar": 11.721232712551862,
"formula_full": "Th2 Os4",
"formula_reduced": "ThOs2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.428258533333334,
"spacegroup": 227
},
{
"id": "jvasp-117846",
"created_at": "2022-09-04T14:38:29.162558Z",
"updated_at": "2022-09-04T14:38:29.162584Z",
"structure_string": "P2 Br1\n1.0\n5.518174 0.000000 0.000000\n0.000000 5.166862 0.000000\n0.000000 0.000000 3.079475\nP Br\n2 1\ndirect\n0.189437 0.923997 0.000000 P\n0.810562 0.923997 0.000000 P\n0.000000 0.424005 0.000000 Br\n",
"nsites": 3,
"nelements": 2,
"elements": [
"P",
"Br"
],
"chemical_system": "Br-P",
"density": 2.6827744891017855,
"density_atomic": 0.03416821719791581,
"volume": 87.8008935210993,
"volume_molar": 17.624977987927732,
"formula_full": "P2 Br1",
"formula_reduced": "P2Br",
"formula_anonymous": "AB2",
"energy_above_hull": 1.931425035,
"spacegroup": 47
},
{
"id": "jvasp-54913",
"created_at": "2022-09-04T14:38:29.166480Z",
"updated_at": "2022-09-04T14:38:29.166505Z",
"structure_string": "Al12 Mo4\n1.0\n3.536952 -0.000036 -0.775376\n-0.369881 8.254596 -1.687205\n-0.003518 0.008621 8.440310\nAl Mo\n12 4\ndirect\n0.126272 0.657058 0.252560 Al\n0.125401 0.147081 0.250831 Al\n0.624906 0.397645 0.249823 Al\n0.748729 0.695164 0.497442 Al\n0.503021 0.598187 0.006091 Al\n0.749595 0.205140 0.499162 Al\n0.371981 0.754042 0.743913 Al\n0.003588 0.858506 0.007182 Al\n0.497694 0.094220 0.995423 Al\n0.250093 0.954579 0.500179 Al\n0.377300 0.258007 0.754566 Al\n0.871414 0.493722 0.742825 Al\n0.010704 0.356331 0.021495 Mo\n0.632829 0.904942 0.265750 Mo\n0.242171 0.447281 0.484253 Mo\n0.864295 0.995894 0.728505 Mo\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Al",
"Mo"
],
"chemical_system": "Al-Mo",
"density": 4.767169830894705,
"density_atomic": 0.06492044009266379,
"volume": 246.45550734348842,
"volume_molar": 9.276185976873132,
"formula_full": "Al12 Mo4",
"formula_reduced": "Al3Mo",
"formula_anonymous": "AB3",
"energy_above_hull": 2.6809460750000005,
"spacegroup": 12
},
{
"id": "jvasp-17421",
"created_at": "2022-09-04T14:38:29.169450Z",
"updated_at": "2022-09-04T14:38:29.169476Z",
"structure_string": "Nd2 Al6\n1.0\n3.273398 -5.669691 0.000000\n3.273398 5.669691 0.000000\n-0.000000 -0.000000 4.618201\nNd Al\n2 6\ndirect\n0.666667 0.333333 0.750000 Nd\n0.333333 0.666667 0.250000 Nd\n0.141497 0.282994 0.750000 Al\n0.282994 0.141497 0.250000 Al\n0.858503 0.141498 0.250000 Al\n0.141498 0.858503 0.750000 Al\n0.717006 0.858503 0.750000 Al\n0.858503 0.717006 0.250000 Al\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"Al"
],
"chemical_system": "Al-Nd",
"density": 4.362753118325102,
"density_atomic": 0.046669049659854835,
"volume": 171.4198180230286,
"volume_molar": 12.90392841485329,
"formula_full": "Nd2 Al6",
"formula_reduced": "NdAl3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.553447475,
"spacegroup": 194
},
{
"id": "jvasp-19796",
"created_at": "2022-09-04T14:38:29.203759Z",
"updated_at": "2022-09-04T14:38:29.203788Z",
"structure_string": "U2 Ir4\n1.0\n4.626232 0.000000 2.670957\n1.542078 4.361654 2.670957\n0.000000 0.000000 5.341914\nU Ir\n2 4\ndirect\n0.875000 0.874999 0.875001 U\n0.125000 0.125000 0.125000 U\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000001 Ir\n0.000000 0.500000 0.500000 Ir\n0.500000 -0.000000 0.500000 Ir\n",
"nsites": 6,
"nelements": 2,
"elements": [
"U",
"Ir"
],
"chemical_system": "Ir-U",
"density": 19.17860702821982,
"density_atomic": 0.055664170164569995,
"volume": 107.7892651998785,
"volume_molar": 10.818702124177296,
"formula_full": "U2 Ir4",
"formula_reduced": "UIr2",
"formula_anonymous": "AB2",
"energy_above_hull": 4.302972733333332,
"spacegroup": 227
},
{
"id": "jvasp-29604",
"created_at": "2022-09-04T14:38:29.220115Z",
"updated_at": "2022-09-04T14:38:29.220141Z",
"structure_string": "Cd4 I8\n1.0\n4.285445 -0.000000 -0.000000\n-2.142723 3.711305 0.000000\n-0.000000 0.000000 27.508795\nCd I\n4 8\ndirect\n0.333333 0.666666 0.750033 Cd\n0.333333 0.666666 -0.000061 Cd\n0.666668 0.333333 0.250033 Cd\n0.666668 0.333333 0.499938 Cd\n0.333333 0.666666 0.187006 I\n0.000000 0.000000 0.813082 I\n0.000000 0.000000 0.063014 I\n0.666668 0.333333 0.936927 I\n0.666668 0.333333 0.687006 I\n0.000000 0.000000 0.313083 I\n0.333333 0.666666 0.436926 I\n0.000000 0.000000 0.563014 I\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.559771419139654,
"density_atomic": 0.027427555766942557,
"volume": 437.5162009318806,
"volume_molar": 21.9565345566019,
"formula_full": "Cd4 I8",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.6666666666674832e-05,
"spacegroup": 186
},
{
"id": "jvasp-39375",
"created_at": "2022-09-04T14:38:29.235953Z",
"updated_at": "2022-09-04T14:38:29.235982Z",
"structure_string": "Lu2 Ge4\n1.0\n2.002059 7.843256 0.000000\n-2.002059 7.843256 0.000000\n0.000000 -0.000000 3.878033\nLu Ge\n2 4\ndirect\n0.103514 0.103514 0.249999 Lu\n0.896486 0.896486 0.749997 Lu\n0.746967 0.746967 0.249999 Ge\n0.253035 0.253035 0.749997 Ge\n0.445239 0.445239 0.249999 Ge\n0.554762 0.554762 0.749997 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Lu",
"Ge"
],
"chemical_system": "Ge-Lu",
"density": 8.732717375046265,
"density_atomic": 0.049264773691557,
"volume": 121.79087714003406,
"volume_molar": 12.224030090352521,
"formula_full": "Lu2 Ge4",
"formula_reduced": "LuGe2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.6760058833333333,
"spacegroup": 63
},
{
"id": "jvasp-118809",
"created_at": "2022-09-04T14:38:29.246905Z",
"updated_at": "2022-09-04T14:38:29.246921Z",
"structure_string": "Na1 Zn1\n1.0\n3.023399 0.000000 -0.000000\n0.000000 3.023399 -0.000000\n0.000000 -0.000000 5.802379\nNa Zn\n1 1\ndirect\n0.000000 0.000000 0.750030 Na\n0.000000 0.000000 0.249970 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 2.767567954349065,
"density_atomic": 0.037707954365119804,
"volume": 53.039207076425704,
"volume_molar": 15.970478540651182,
"formula_full": "Na1 Zn1",
"formula_reduced": "NaZn",
"formula_anonymous": "AB",
"energy_above_hull": 0.633996052631579,
"spacegroup": 123
},
{
"id": "jvasp-20349",
"created_at": "2022-09-04T14:38:29.186413Z",
"updated_at": "2022-09-04T14:38:29.186438Z",
"structure_string": "Na2 Zn26\n1.0\n7.524486 0.000000 4.344264\n2.508162 7.094153 4.344264\n0.000000 0.000000 8.688528\nNa Zn\n2 26\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Na\n0.801357 0.198644 0.559744 Zn\n0.559744 0.440256 0.801356 Zn\n0.440256 0.559744 0.198643 Zn\n0.301356 0.059744 0.698644 Zn\n0.059744 0.698644 0.301356 Zn\n0.698644 0.301356 0.059743 Zn\n0.301356 0.698644 0.940256 Zn\n0.301356 0.940256 0.059744 Zn\n0.940256 0.698644 0.059743 Zn\n0.198644 0.559744 0.801356 Zn\n0.198644 0.440256 0.559744 Zn\n0.440256 0.801356 0.559744 Zn\n0.559744 0.801356 0.198643 Zn\n0.801357 0.559744 0.440255 Zn\n0.559744 0.198644 0.440256 Zn\n0.801357 0.440256 0.198643 Zn\n0.440256 0.198644 0.801356 Zn\n0.940256 0.059744 0.301356 Zn\n0.059744 0.940256 0.698644 Zn\n0.059744 0.301356 0.940256 Zn\n0.698644 0.940256 0.301356 Zn\n0.940256 0.301356 0.698643 Zn\n0.698644 0.059744 0.940256 Zn\n0.198644 0.801356 0.440256 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Na",
"Zn"
],
"chemical_system": "Na-Zn",
"density": 6.253488066894832,
"density_atomic": 0.0603718434398912,
"volume": 463.79236419835354,
"volume_molar": 9.975081787913107,
"formula_full": "Na2 Zn26",
"formula_reduced": "NaZn13",
"formula_anonymous": "AB13",
"energy_above_hull": 0.0,
"spacegroup": 226
},
{
"id": "jvasp-38539",
"created_at": "2022-09-04T14:38:29.273576Z",
"updated_at": "2022-09-04T14:38:29.273600Z",
"structure_string": "Li3 Pd1\n1.0\n-2.158779 2.158779 3.066999\n2.158779 -2.158779 3.066999\n2.158779 2.158779 -3.066999\nLi Pd\n3 1\ndirect\n0.750000 0.249999 0.500001 Li\n0.249999 0.750000 0.500001 Li\n0.500001 0.500001 0.000000 Li\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Li",
"Pd"
],
"chemical_system": "Li-Pd",
"density": 3.6956684485789832,
"density_atomic": 0.06996325332576127,
"volume": 57.17287018337031,
"volume_molar": 8.607576797436575,
"formula_full": "Li3 Pd1",
"formula_reduced": "Li3Pd",
"formula_anonymous": "AB3",
"energy_above_hull": 0.850116425,
"spacegroup": 225
},
{
"id": "jvasp-20134",
"created_at": "2022-09-04T14:38:29.238229Z",
"updated_at": "2022-09-04T14:38:29.238262Z",
"structure_string": "Mg2 F4\n1.0\n4.652103 0.000000 0.000000\n-0.000000 4.652103 0.000000\n0.000000 0.000000 3.072442\nMg F\n2 4\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.697167 0.697167 0.000000 F\n0.197167 0.802832 0.500000 F\n0.302832 0.302832 0.000000 F\n0.802832 0.197167 0.500000 F\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"F"
],
"chemical_system": "F-Mg",
"density": 3.111697675712191,
"density_atomic": 0.09023373074546749,
"volume": 66.49398124660145,
"volume_molar": 6.673935245997236,
"formula_full": "Mg2 F4",
"formula_reduced": "MgF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0002299999999999,
"spacegroup": 136
},
{
"id": "jvasp-57877",
"created_at": "2022-09-04T14:38:29.550434Z",
"updated_at": "2022-09-04T14:38:29.550452Z",
"structure_string": "Pr6 Se8\n1.0\n7.347930 0.000000 -2.597885\n-3.673965 6.363493 -2.597885\n-0.000000 -0.000000 7.793657\nPr Se\n6 8\ndirect\n0.750000 0.875000 0.125001 Pr\n0.625000 0.375000 0.250001 Pr\n0.875000 0.125000 0.750001 Pr\n0.125000 0.750000 0.875001 Pr\n0.375000 0.250000 0.625001 Pr\n0.250000 0.625000 0.375001 Pr\n0.649883 0.649882 0.649884 Se\n0.350117 0.500000 0.000001 Se\n0.500000 0.000000 0.350118 Se\n0.000000 0.350117 0.500000 Se\n0.500000 0.000000 0.850118 Se\n0.000000 0.850117 0.500001 Se\n0.149883 0.149883 0.149883 Se\n0.850117 0.500000 0.000001 Se\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Pr",
"Se"
],
"chemical_system": "Pr-Se",
"density": 6.730769855709566,
"density_atomic": 0.038417240474598435,
"volume": 364.419719559421,
"volume_molar": 15.67562033504685,
"formula_full": "Pr6 Se8",
"formula_reduced": "Pr3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.4554375738095242,
"spacegroup": 220
}
]
}