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=volume&page=3474",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3472",
"results": [
{
"id": "jvasp-23512",
"created_at": "2022-09-04T14:37:42.740035Z",
"updated_at": "2022-09-04T14:37:42.740066Z",
"structure_string": "Nb4 Ni4 P8\n1.0\n3.377489 -0.000000 0.000000\n0.000000 5.458976 0.000000\n0.000000 0.000000 12.273038\nNb Ni P\n4 4 8\ndirect\n0.750000 0.985050 0.170019 Nb\n0.250000 0.014951 0.829981 Nb\n0.750000 0.485050 0.329981 Nb\n0.250000 0.514951 0.670019 Nb\n0.250000 0.519553 0.913938 Ni\n0.250000 0.019552 0.586062 Ni\n0.750000 0.480448 0.086062 Ni\n0.750000 0.980448 0.413938 Ni\n0.250000 0.694878 0.463429 P\n0.750000 0.305123 0.536571 P\n0.250000 0.194878 0.036571 P\n0.750000 0.805123 0.963430 P\n0.250000 0.638273 0.190682 P\n0.750000 0.861728 0.690682 P\n0.250000 0.138273 0.309318 P\n0.750000 0.361728 0.809318 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"Ni",
"P"
],
"chemical_system": "Nb-Ni-P",
"density": 6.268245168244779,
"density_atomic": 0.07070705933033915,
"volume": 226.28575069497597,
"volume_molar": 8.517029016671332,
"formula_full": "Nb4 Ni4 P8",
"formula_reduced": "NbNiP2",
"formula_anonymous": "ABC2",
"energy_above_hull": 2.9364531999999994,
"spacegroup": 62
},
{
"id": "jvasp-66158",
"created_at": "2022-09-04T14:36:12.981379Z",
"updated_at": "2022-09-04T14:36:12.981407Z",
"structure_string": "Ba4 Pd1 Se1\n1.0\n-0.000000 4.836704 4.836704\n4.836704 0.000000 4.836704\n4.836704 4.836704 0.000000\nBa Pd Se\n4 1 1\ndirect\n0.123777 0.625407 0.625407 Ba\n0.625407 0.625407 0.625407 Ba\n0.625407 0.123777 0.625407 Ba\n0.625407 0.625407 0.123777 Ba\n0.250000 0.250000 0.250000 Pd\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Pd",
"Se"
],
"chemical_system": "Ba-Pd-Se",
"density": 5.391051968388377,
"density_atomic": 0.026513845721718055,
"volume": 226.2968587421957,
"volume_molar": 22.713192281522318,
"formula_full": "Ba4 Pd1 Se1",
"formula_reduced": "Ba4PdSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4076821577777777,
"spacegroup": 216
},
{
"id": "jvasp-66274",
"created_at": "2022-09-04T14:36:15.512775Z",
"updated_at": "2022-09-04T14:36:15.512803Z",
"structure_string": "Ba4 Cd1 Ru1\n1.0\n0.000000 4.836710 4.836710\n4.836710 0.000000 4.836710\n4.836710 4.836710 0.000000\nBa Cd Ru\n4 1 1\ndirect\n0.122819 0.625727 0.625727 Ba\n0.625727 0.625727 0.625727 Ba\n0.625727 0.122819 0.625727 Ba\n0.625727 0.625727 0.122819 Ba\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Ru"
],
"chemical_system": "Ba-Cd-Ru",
"density": 5.597232888103113,
"density_atomic": 0.02651374704955641,
"volume": 226.29770091664142,
"volume_molar": 22.713276809739927,
"formula_full": "Ba4 Cd1 Ru1",
"formula_reduced": "Ba4CdRu",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.4488756883333333,
"spacegroup": 216
},
{
"id": "jvasp-36303",
"created_at": "2022-09-04T14:37:28.069019Z",
"updated_at": "2022-09-04T14:37:28.069046Z",
"structure_string": "Mg2 Sn2 As4\n1.0\n6.125992 0.000000 0.000000\n0.000000 6.125992 0.000000\n-3.062996 -3.062996 6.030589\nMg Sn As\n2 2 4\ndirect\n0.500000 0.500000 -0.000000 Mg\n0.749999 0.250000 0.500000 Mg\n0.250000 0.749999 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.378606 0.375000 0.250000 As\n0.624999 0.128606 0.750000 As\n0.871393 0.875000 0.250000 As\n0.124999 0.621393 0.750000 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Sn",
"As"
],
"chemical_system": "As-Mg-Sn",
"density": 4.29757930866402,
"density_atomic": 0.035349022199797735,
"volume": 226.31460510513855,
"volume_molar": 17.036230099836988,
"formula_full": "Mg2 Sn2 As4",
"formula_reduced": "MgSnAs2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.9633235625,
"spacegroup": 122
},
{
"id": "jvasp-28467",
"created_at": "2022-09-04T14:37:07.919061Z",
"updated_at": "2022-09-04T14:37:07.919079Z",
"structure_string": "Te4 Mo1 W2 Se2\n1.0\n3.482929 -0.000002 0.000011\n-1.741474 3.016280 -0.000753\n0.004074 0.016359 21.543441\nTe Mo W Se\n4 1 2 2\ndirect\n0.332870 0.665584 0.426619 Te\n0.666609 0.333407 0.590743 Te\n0.666080 0.332773 0.762736 Te\n0.333381 0.666210 0.255435 Te\n0.666464 0.332573 0.341012 Mo\n0.333841 0.667633 0.023153 W\n0.333011 0.666421 0.676767 W\n0.667413 0.334602 -0.052459 Se\n0.666938 0.334002 0.098835 Se\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"Se"
],
"chemical_system": "Mo-Se-Te-W",
"density": 8.305030267801394,
"density_atomic": 0.03976593739548019,
"volume": 226.32435168051495,
"volume_molar": 15.143967813731154,
"formula_full": "Te4 Mo1 W2 Se2",
"formula_reduced": "Te4Mo(WSe)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 3.6938781888888887,
"spacegroup": 156
},
{
"id": "jvasp-58479",
"created_at": "2022-09-04T14:36:59.519674Z",
"updated_at": "2022-09-04T14:36:59.519695Z",
"structure_string": "Zn2 Fe4 S8\n1.0\n6.056659 -0.000000 -3.179823\n-1.669447 5.822034 -3.179823\n-0.279618 -0.371066 6.825425\nZn Fe S\n2 4 8\ndirect\n0.374999 0.624999 0.750000 Zn\n0.625000 0.375000 0.250000 Zn\n-0.000000 -0.000000 0.500000 Fe\n-0.000000 0.500000 -0.000000 Fe\n0.500000 -0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.763810 0.791350 0.527620 S\n0.763730 0.236189 0.972381 S\n0.208649 0.236189 0.972381 S\n0.236189 0.208649 0.472381 S\n0.236189 0.763730 0.472380 S\n0.236268 0.763810 0.027620 S\n0.763810 0.236269 0.527620 S\n0.791350 0.763810 0.027620 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"S"
],
"chemical_system": "Fe-S-Zn",
"density": 4.4796134918745425,
"density_atomic": 0.061841321544314626,
"volume": 226.38584768871402,
"volume_molar": 9.738053148952545,
"formula_full": "Zn2 Fe4 S8",
"formula_reduced": "Zn(FeS2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.0187573428571426,
"spacegroup": 227
},
{
"id": "jvasp-30064",
"created_at": "2022-09-04T14:38:12.350483Z",
"updated_at": "2022-09-04T14:38:12.350518Z",
"structure_string": "Ag4 H4 I2 O2 F2\n1.0\n4.687874 0.000000 -0.423957\n0.000000 7.878845 0.000000\n-0.208260 0.000000 6.148403\nAg H I O F\n4 4 2 2 2\ndirect\n0.898113 0.465582 0.698263 Ag\n0.101886 -0.034417 0.301736 Ag\n0.998923 0.097052 0.715952 Ag\n0.001076 0.597051 0.284047 Ag\n0.280465 0.730334 0.956777 H\n0.719534 0.230335 0.043222 H\n0.414432 0.537582 -0.003125 H\n0.585567 0.037582 0.003124 H\n0.663855 0.797498 0.522019 I\n0.336144 0.297499 0.477981 I\n0.231362 0.606798 -0.025027 O\n0.768637 0.106798 0.025026 O\n0.316142 0.927852 -0.028389 F\n0.683857 0.427852 0.028389 F\n",
"nsites": 14,
"nelements": 5,
"elements": [
"Ag",
"H",
"I",
"O",
"F"
],
"chemical_system": "Ag-F-H-I-O",
"density": 5.569283281999651,
"density_atomic": 0.06183859856227566,
"volume": 226.39581629426888,
"volume_molar": 9.738481951422777,
"formula_full": "Ag4 H4 I2 O2 F2",
"formula_reduced": "Ag2H2IOF",
"formula_anonymous": "ABCD2E2",
"energy_above_hull": 0.9485592253571432,
"spacegroup": 4
},
{
"id": "jvasp-20352",
"created_at": "2022-09-04T14:38:28.132737Z",
"updated_at": "2022-09-04T14:38:28.132762Z",
"structure_string": "Rh4 Se8\n1.0\n6.094755 -0.000000 -0.000000\n-0.000000 6.094755 0.000000\n-0.000000 0.000000 6.094755\nRh Se\n4 8\ndirect\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.000000 0.000000 Rh\n0.375891 0.124110 0.875891 Se\n0.124110 0.875891 0.375891 Se\n0.875891 0.375891 0.124110 Se\n0.624110 0.624110 0.624110 Se\n0.375891 0.375891 0.375891 Se\n0.124110 0.624110 0.875891 Se\n0.875891 0.124110 0.624110 Se\n0.624110 0.875891 0.124110 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Rh",
"Se"
],
"chemical_system": "Rh-Se",
"density": 7.652271679350931,
"density_atomic": 0.053004469121391375,
"volume": 226.39600393916743,
"volume_molar": 11.361571693526507,
"formula_full": "Rh4 Se8",
"formula_reduced": "RhSe2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.545109911111111,
"spacegroup": 205
},
{
"id": "jvasp-34899",
"created_at": "2022-09-04T14:38:18.413975Z",
"updated_at": "2022-09-04T14:38:18.413998Z",
"structure_string": "Si2 Bi4 O10\n1.0\n5.352504 0.000000 0.000000\n-0.000000 5.208560 -1.878727\n0.000000 -0.012189 8.125642\nSi Bi O\n2 4 10\ndirect\n0.704822 0.678872 -0.000000 Si\n0.204822 0.321128 -0.000000 Si\n0.247961 0.613160 0.669767 Bi\n0.747960 0.386839 0.330232 Bi\n0.747960 0.056607 0.669767 Bi\n0.247961 0.943393 0.330232 Bi\n0.481910 0.258315 0.503372 O\n0.981910 0.741685 0.496627 O\n0.981910 0.245058 0.503372 O\n0.481910 0.754942 0.496627 O\n0.679001 0.732465 0.816361 O\n0.179002 0.267535 0.183639 O\n0.479432 0.466311 -0.000000 O\n0.979431 0.533689 -0.000000 O\n0.679001 0.916103 0.183638 O\n0.179002 0.083896 0.816361 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-O-Si",
"density": 7.7161965108424955,
"density_atomic": 0.07066797966809611,
"volume": 226.41088757803257,
"volume_molar": 8.521738966196548,
"formula_full": "Si2 Bi4 O10",
"formula_reduced": "SiBi2O5",
"formula_anonymous": "AB2C5",
"energy_above_hull": 2.2232030874999995,
"spacegroup": 36
},
{
"id": "jvasp-66057",
"created_at": "2022-09-04T14:35:51.227150Z",
"updated_at": "2022-09-04T14:35:51.227180Z",
"structure_string": "Ba4 Mg1 Ir1\n1.0\n0.000000 4.837657 4.837657\n4.837657 0.000000 4.837657\n4.837657 4.837657 0.000000\nBa Mg Ir\n4 1 1\ndirect\n0.129381 0.623540 0.623540 Ba\n0.623540 0.623540 0.623540 Ba\n0.623540 0.129381 0.623540 Ba\n0.623540 0.623540 0.129381 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mg",
"Ir"
],
"chemical_system": "Ba-Ir-Mg",
"density": 5.616247763452153,
"density_atomic": 0.026498179428514543,
"volume": 226.4306503088825,
"volume_molar": 22.7266208089738,
"formula_full": "Ba4 Mg1 Ir1",
"formula_reduced": "Ba4MgIr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6482056716666664,
"spacegroup": 216
},
{
"id": "jvasp-50429",
"created_at": "2022-09-04T14:36:51.567389Z",
"updated_at": "2022-09-04T14:36:51.567417Z",
"structure_string": "Tb4 Ga4 O12\n1.0\n5.305843 0.000000 0.000000\n0.000000 5.600588 0.000000\n0.000000 0.000000 7.620040\nTb Ga O\n4 4 12\ndirect\n0.018485 0.067896 0.990926 Tb\n0.481515 0.567896 0.990926 Tb\n0.518484 0.432105 0.490926 Tb\n0.981515 0.932105 0.490926 Tb\n-0.000002 0.500000 0.240925 Ga\n0.500001 -0.000000 0.240925 Ga\n0.499998 0.000000 0.740925 Ga\n0.000002 0.500000 0.740925 Ga\n0.805232 0.196669 0.295501 O\n0.694768 0.696669 0.295501 O\n0.694766 0.696670 0.686351 O\n0.606680 0.965389 0.990927 O\n0.393319 0.034611 0.490927 O\n0.194767 0.803331 0.186351 O\n0.305232 0.303331 0.795501 O\n0.194768 0.803331 0.795501 O\n0.805233 0.196669 0.686351 O\n0.106680 0.534612 0.490927 O\n0.305233 0.303331 0.186351 O\n0.893319 0.465389 0.990927 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Tb",
"Ga",
"O"
],
"chemical_system": "Ga-O-Tb",
"density": 8.115010305778732,
"density_atomic": 0.08832521921408111,
"volume": 226.43589427753756,
"volume_molar": 6.818144142279048,
"formula_full": "Tb4 Ga4 O12",
"formula_reduced": "TbGaO3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.162772245,
"spacegroup": 62
},
{
"id": "jvasp-66125",
"created_at": "2022-09-04T14:36:19.273423Z",
"updated_at": "2022-09-04T14:36:19.273442Z",
"structure_string": "Ba4 Mn1 P1\n1.0\n0.000000 4.837748 4.837748\n4.837748 0.000000 4.837748\n4.837748 4.837748 -0.000000\nBa Mn P\n4 1 1\ndirect\n0.123294 0.625569 0.625569 Ba\n0.625569 0.625569 0.625569 Ba\n0.625569 0.123294 0.625569 Ba\n0.625569 0.625569 0.123294 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 P\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Mn",
"P"
],
"chemical_system": "Ba-Mn-P",
"density": 4.658149331921614,
"density_atomic": 0.02649668413216791,
"volume": 226.44342854643415,
"volume_molar": 22.72790334806048,
"formula_full": "Ba4 Mn1 P1",
"formula_reduced": "Ba4MnP",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3273177702298848,
"spacegroup": 216
}
]
}