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=created_at&page=4544",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=created_at&page=4542",
"results": [
{
"id": "jvasp-120469",
"created_at": "2022-09-04T14:38:52.771882Z",
"updated_at": "2022-09-04T14:38:52.771909Z",
"structure_string": "Sc4 Be2 B4 Ir10\n1.0\n9.320418 0.000000 0.000000\n0.000000 9.320418 0.000000\n-0.000000 0.000000 2.977485\nSc Be B Ir\n4 2 4 10\ndirect\n0.676421 0.176420 -0.000000 Sc\n0.323580 0.823580 -0.000000 Sc\n0.176420 0.323580 -0.000000 Sc\n0.823580 0.676421 -0.000000 Sc\n0.000000 0.000000 0.000000 Be\n0.500000 0.500000 -0.000000 Be\n0.628576 0.871424 -0.000000 B\n0.371424 0.128576 -0.000000 B\n0.128576 0.628576 -0.000000 B\n0.871424 0.371424 -0.000000 B\n0.500000 0.000000 0.500001 Ir\n0.208265 0.067269 0.500001 Ir\n0.791735 0.932731 0.500001 Ir\n0.067269 0.791735 0.500001 Ir\n0.708266 0.432731 0.500001 Ir\n0.932731 0.208265 0.500001 Ir\n0.291735 0.567269 0.500001 Ir\n0.567269 0.708266 0.500001 Ir\n0.432731 0.291735 0.500001 Ir\n-0.000000 0.500000 0.500001 Ir\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sc",
"Be",
"B",
"Ir"
],
"chemical_system": "B-Be-Ir-Sc",
"density": 13.887940885463935,
"density_atomic": 0.0773231669985294,
"volume": 258.6546927181653,
"volume_molar": 7.788274838916693,
"formula_full": "Sc4 Be2 B4 Ir10",
"formula_reduced": "Sc2BeB2Ir5",
"formula_anonymous": "AB2C2D5",
"energy_above_hull": 4.602930726666667,
"spacegroup": 127
},
{
"id": "jvasp-117660",
"created_at": "2022-09-04T14:38:52.772017Z",
"updated_at": "2022-09-04T14:38:52.772046Z",
"structure_string": "Ag2 As2 S2\n1.0\n3.754221 0.000000 0.000000\n0.000000 5.304315 0.000000\n0.000000 0.000000 6.426807\nAg As S\n2 2 2\ndirect\n0.499999 0.762010 0.001186 Ag\n0.000000 0.237990 0.501186 Ag\n0.499999 0.577446 0.388778 As\n0.000000 0.422554 0.888778 As\n0.499999 0.901541 0.603886 S\n0.000000 0.098459 0.103886 S\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ag",
"As",
"S"
],
"chemical_system": "Ag-As-S",
"density": 5.575447798169114,
"density_atomic": 0.04688207773651276,
"volume": 127.98067597859622,
"volume_molar": 12.845294088384287,
"formula_full": "Ag2 As2 S2",
"formula_reduced": "AgAsS",
"formula_anonymous": "ABC",
"energy_above_hull": 1.1589763366666666,
"spacegroup": 31
},
{
"id": "jvasp-120064",
"created_at": "2022-09-04T14:38:52.774652Z",
"updated_at": "2022-09-04T14:38:52.774671Z",
"structure_string": "Ca1 In1 Te1\n1.0\n5.608484 -0.000000 -0.000000\n-2.804242 4.857090 0.000000\n-0.000000 0.000000 4.094071\nCa In Te\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.333334 0.666667 0.000000 In\n0.666667 0.333333 0.000000 Te\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ca",
"In",
"Te"
],
"chemical_system": "Ca-In-Te",
"density": 4.20614649124471,
"density_atomic": 0.02689950254468304,
"volume": 111.52622599680679,
"volume_molar": 22.387554379478058,
"formula_full": "Ca1 In1 Te1",
"formula_reduced": "CaInTe",
"formula_anonymous": "ABC",
"energy_above_hull": 0.08839,
"spacegroup": 187
},
{
"id": "jvasp-119029",
"created_at": "2022-09-04T14:38:52.775909Z",
"updated_at": "2022-09-04T14:38:52.775945Z",
"structure_string": "Pr10 Sn6\n1.0\n9.361059 -0.000000 0.000000\n-4.680529 8.106915 0.000000\n-0.000000 -0.000000 6.853876\nPr Sn\n10 6\ndirect\n0.666667 0.333333 0.500000 Pr\n0.333333 0.666666 0.500000 Pr\n0.333333 0.666666 -0.000000 Pr\n0.666667 0.333333 -0.000000 Pr\n0.756267 0.756266 0.250000 Pr\n0.243733 0.000000 0.250000 Pr\n-0.000000 0.243733 0.250000 Pr\n0.243733 0.243733 0.750000 Pr\n0.756267 0.000000 0.750000 Pr\n-0.000000 0.756266 0.750000 Pr\n0.392525 0.392525 0.250000 Sn\n0.607475 0.000000 0.250000 Sn\n-0.000000 0.607474 0.250000 Sn\n0.607474 0.607474 0.750000 Sn\n0.392526 0.000000 0.750000 Sn\n-0.000000 0.392525 0.750000 Sn\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Pr",
"Sn"
],
"chemical_system": "Pr-Sn",
"density": 6.772387775105982,
"density_atomic": 0.030761190392630776,
"volume": 520.1359178815459,
"volume_molar": 19.57707319884044,
"formula_full": "Pr10 Sn6",
"formula_reduced": "Pr5Sn3",
"formula_anonymous": "A3B5",
"energy_above_hull": 1.3246617937500005,
"spacegroup": 193
},
{
"id": "jvasp-121063",
"created_at": "2022-09-04T14:38:52.777100Z",
"updated_at": "2022-09-04T14:38:52.777119Z",
"structure_string": "Ge1 O1\n1.0\n5.291772 0.000000 0.000000\n0.000000 5.291772 0.000000\n0.000000 0.000000 7.408481\nGe O\n1 1\ndirect\n0.000000 0.000000 0.830659 Ge\n0.000000 0.000000 0.169341 O\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ge",
"O"
],
"chemical_system": "Ge-O",
"density": 0.7094870709578692,
"density_atomic": 0.009640478185062007,
"volume": 207.45858883836436,
"volume_molar": 62.46724119277975,
"formula_full": "Ge1 O1",
"formula_reduced": "GeO",
"formula_anonymous": "AB",
"energy_above_hull": 2.022364725,
"spacegroup": 99
},
{
"id": "jvasp-120119",
"created_at": "2022-09-04T14:38:52.784386Z",
"updated_at": "2022-09-04T14:38:52.784411Z",
"structure_string": "Al1 As1 O2\n1.0\n2.699608 0.000000 0.000000\n0.000000 2.699608 0.000000\n-0.000000 0.000000 6.685624\nAl As O\n1 1 2\ndirect\n0.500001 0.500001 0.582997 Al\n0.000000 0.000000 0.068961 As\n0.000000 0.000000 0.517162 O\n0.500001 0.500001 0.840878 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Al",
"As",
"O"
],
"chemical_system": "Al-As-O",
"density": 4.5634426922964195,
"density_atomic": 0.08209498544989548,
"volume": 48.72404785845653,
"volume_molar": 7.335576865015045,
"formula_full": "Al1 As1 O2",
"formula_reduced": "AlAsO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.8213128875,
"spacegroup": 99
},
{
"id": "jvasp-119033",
"created_at": "2022-09-04T14:38:52.785002Z",
"updated_at": "2022-09-04T14:38:52.785030Z",
"structure_string": "Li2 La2 C4 N8\n1.0\n3.763874 -0.000000 0.000000\n0.000000 5.331424 1.064423\n-0.000000 -0.055250 10.162836\nLi La C N\n2 2 4 8\ndirect\n0.749999 0.404647 0.353808 Li\n0.250000 0.595352 0.646192 Li\n0.250000 0.017525 0.193442 La\n0.749999 0.982474 0.806559 La\n0.749999 0.573942 0.109058 C\n0.250000 0.426058 0.890942 C\n0.749999 0.779876 0.472927 C\n0.250000 0.220123 0.527073 C\n0.749999 0.349101 0.158608 N\n0.250000 0.650899 0.841392 N\n0.250000 0.198070 0.934551 N\n0.749999 0.801930 0.065449 N\n0.250000 0.244633 0.404774 N\n0.749999 0.755366 0.595226 N\n0.749999 0.791647 0.349184 N\n0.250000 0.208353 0.650816 N\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"La",
"C",
"N"
],
"chemical_system": "C-La-Li-N",
"density": 3.674690227669255,
"density_atomic": 0.07837104543659461,
"volume": 204.15703160352322,
"volume_molar": 7.684139884126159,
"formula_full": "Li2 La2 C4 N8",
"formula_reduced": "LiLa(CN2)2",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 5.02270725,
"spacegroup": 11
},
{
"id": "jvasp-119662",
"created_at": "2022-09-04T14:38:52.788822Z",
"updated_at": "2022-09-04T14:38:52.788849Z",
"structure_string": "Ce4 H11\n1.0\n4.991753 0.016766 -4.431362\n-0.997480 4.891105 -4.431362\n-0.013645 -0.016766 6.674907\nCe H\n4 11\ndirect\n0.499999 0.000000 0.500000 Ce\n0.258361 0.258361 0.000000 Ce\n-0.000000 0.500000 0.500000 Ce\n0.741639 0.741640 0.000001 Ce\n0.643564 0.114513 0.000001 H\n0.356435 0.356436 0.470948 H\n0.114512 0.643565 0.000001 H\n0.885487 0.885489 0.529053 H\n0.885488 0.356437 0.000001 H\n0.643563 0.643565 0.529053 H\n0.356436 0.885489 0.000001 H\n0.114511 0.114512 0.470948 H\n0.749999 0.250000 0.500000 H\n0.500000 0.500001 0.000001 H\n0.250000 0.750001 0.500001 H\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Ce",
"H"
],
"chemical_system": "Ce-H",
"density": 5.846232013423323,
"density_atomic": 0.09239808302947952,
"volume": 162.34103033516683,
"volume_molar": 6.517603572012031,
"formula_full": "Ce4 H11",
"formula_reduced": "Ce4H11",
"formula_anonymous": "A4B11",
"energy_above_hull": 3.0273861333333336,
"spacegroup": 139
},
{
"id": "jvasp-120081",
"created_at": "2022-09-04T14:38:52.789549Z",
"updated_at": "2022-09-04T14:38:52.789572Z",
"structure_string": "In1 Ge1 Cl2\n1.0\n3.908349 -0.000000 -0.000000\n0.000000 3.908349 0.000000\n0.000000 0.000000 7.164330\nIn Ge Cl\n1 1 2\ndirect\n0.500000 0.500000 0.603056 In\n0.000000 0.000000 0.009894 Ge\n0.000000 0.000000 0.351136 Cl\n0.500000 0.500000 0.045913 Cl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"In",
"Ge",
"Cl"
],
"chemical_system": "Cl-Ge-In",
"density": 3.9202958258221856,
"density_atomic": 0.0365508713165925,
"volume": 109.43651562648726,
"volume_molar": 16.476052534666145,
"formula_full": "In1 Ge1 Cl2",
"formula_reduced": "InGeCl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0594263266666665,
"spacegroup": 99
},
{
"id": "jvasp-120477",
"created_at": "2022-09-04T14:38:52.790918Z",
"updated_at": "2022-09-04T14:38:52.790945Z",
"structure_string": "K1 Li1 Al2 Si4 O10 F2\n1.0\n5.289807 -0.005804 0.499156\n-2.718660 4.537728 0.499156\n-0.008150 -0.014365 10.344890\nK Li Al Si O F\n1 1 2 4 10 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 Li\n0.830140 0.169861 0.500000 Al\n0.169861 0.830139 0.500000 Al\n0.585721 0.248953 0.231384 Si\n0.414279 0.751047 0.768617 Si\n0.751047 0.414279 0.768617 Si\n0.248953 0.585721 0.231384 Si\n0.546233 0.546232 0.824584 O\n0.453768 0.453768 0.175417 O\n0.171460 0.537112 0.396838 O\n0.828541 0.462889 0.603163 O\n0.462889 0.828541 0.603163 O\n0.571853 0.059600 0.831700 O\n0.940401 0.428148 0.168300 O\n0.059600 0.571852 0.831701 O\n0.428148 0.940400 0.168300 O\n0.537112 0.171460 0.396838 O\n0.878498 0.878498 0.412126 F\n0.121503 0.121502 0.587875 F\n",
"nsites": 20,
"nelements": 6,
"elements": [
"K",
"Li",
"Al",
"Si",
"O",
"F"
],
"chemical_system": "Al-F-K-Li-O-Si",
"density": 2.7449626924377477,
"density_atomic": 0.08057096920373032,
"volume": 248.22836559689824,
"volume_molar": 7.474330791246314,
"formula_full": "K1 Li1 Al2 Si4 O10 F2",
"formula_reduced": "KLiAl2Si4(O5F)2",
"formula_anonymous": "ABC2D2E4F10",
"energy_above_hull": 2.35972067825,
"spacegroup": 12
},
{
"id": "jvasp-119428",
"created_at": "2022-09-04T14:38:52.794438Z",
"updated_at": "2022-09-04T14:38:52.794464Z",
"structure_string": "Zn8 I4 N4\n1.0\n6.312158 -0.000000 0.000000\n0.000000 6.419235 0.000000\n-0.000000 -0.000000 7.997911\nZn I N\n8 4 4\ndirect\n0.250000 0.651622 0.697014 Zn\n0.250000 0.151623 0.802986 Zn\n0.750000 0.348377 0.302986 Zn\n0.750000 0.848377 0.197014 Zn\n0.000000 0.000000 0.500000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.250000 0.418429 0.381539 I\n0.250000 0.918429 0.118461 I\n0.750000 0.581570 0.618461 I\n0.750000 0.081571 0.881538 I\n0.250000 0.441552 0.873518 N\n0.250000 0.941552 0.626482 N\n0.750000 0.558447 0.126482 N\n0.750000 0.058447 0.373518 N\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Zn",
"I",
"N"
],
"chemical_system": "I-N-Zn",
"density": 5.5693902200772145,
"density_atomic": 0.049372177251728905,
"volume": 324.069159810847,
"volume_molar": 12.197438102224098,
"formula_full": "Zn8 I4 N4",
"formula_reduced": "Zn2IN",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.3408550812499999,
"spacegroup": 62
},
{
"id": "jvasp-120305",
"created_at": "2022-09-04T14:38:52.795445Z",
"updated_at": "2022-09-04T14:38:52.795474Z",
"structure_string": "Zr1 Al1 N2\n1.0\n3.125898 0.000000 0.000000\n0.000000 3.125898 0.000000\n0.000000 0.000000 4.466473\nZr Al N\n1 1 2\ndirect\n0.500000 0.500000 0.502494 Zr\n0.000000 0.000000 0.002516 Al\n0.000000 0.000000 0.502505 N\n0.500000 0.500000 0.002486 N\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"Al",
"N"
],
"chemical_system": "Al-N-Zr",
"density": 5.563375918140052,
"density_atomic": 0.09165278646445241,
"volume": 43.642972072119186,
"volume_molar": 6.570603025076265,
"formula_full": "Zr1 Al1 N2",
"formula_reduced": "ZrAlN2",
"formula_anonymous": "ABC2",
"energy_above_hull": 3.74067595,
"spacegroup": 123
}
]
}