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=998",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume&page=996",
"results": [
{
"id": "jvasp-49981",
"created_at": "2022-09-04T14:38:13.406662Z",
"updated_at": "2022-09-04T14:38:13.406684Z",
"structure_string": "Ag8 Se4\n1.0\n4.921210 0.000000 0.000000\n0.000000 7.174662 0.000000\n0.000000 0.000000 7.001162\nAg Se\n8 4\ndirect\n0.499971 0.857129 0.430388 Ag\n0.000020 0.329257 0.297753 Ag\n-0.000020 0.829257 0.202247 Ag\n0.500029 0.357129 0.069612 Ag\n-0.000029 0.642870 0.569612 Ag\n0.500020 0.170743 0.702247 Ag\n0.499980 0.670743 0.797753 Ag\n0.000029 0.142870 0.930388 Ag\n0.000008 0.537217 -0.033353 Se\n-0.000008 0.037217 0.533353 Se\n0.500008 0.962782 0.033353 Se\n0.499992 0.462782 0.466647 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"Se"
],
"chemical_system": "Ag-Se",
"density": 7.9184549166787095,
"density_atomic": 0.048544247700106825,
"volume": 247.19715658449874,
"volume_molar": 12.405467270196771,
"formula_full": "Ag8 Se4",
"formula_reduced": "Ag2Se",
"formula_anonymous": "AB2",
"energy_above_hull": 0.2335659622222223,
"spacegroup": 62
},
{
"id": "jvasp-20177",
"created_at": "2022-09-04T14:37:52.909793Z",
"updated_at": "2022-09-04T14:37:52.909816Z",
"structure_string": "Ta10 N12\n1.0\n2.609163 -4.519202 -0.000000\n2.609163 4.519202 -0.000000\n-0.000000 -0.000000 10.482119\nTa N\n10 12\ndirect\n0.676243 0.676243 0.250000 Ta\n0.676244 -0.000000 0.750000 Ta\n-0.000000 0.676244 0.750000 Ta\n-0.000000 0.323756 0.250000 Ta\n0.323756 -0.000000 0.250000 Ta\n0.323756 0.323756 0.750000 Ta\n0.333333 0.666666 0.500000 Ta\n0.666666 0.333333 0.000000 Ta\n0.666666 0.333333 0.500000 Ta\n0.333333 0.666666 0.000000 Ta\n-0.000000 0.340340 0.878028 N\n-0.000000 0.659660 0.378028 N\n0.659660 -0.000000 0.378028 N\n0.340340 0.340340 0.121972 N\n0.659660 -0.000000 0.121972 N\n0.340340 -0.000000 0.621972 N\n-0.000000 0.659660 0.121972 N\n-0.000000 0.340340 0.621972 N\n0.659659 0.659659 0.621972 N\n0.340340 0.340340 0.378028 N\n0.659659 0.659659 0.878028 N\n0.340340 -0.000000 0.878028 N\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Ta",
"N"
],
"chemical_system": "N-Ta",
"density": 13.28423483041944,
"density_atomic": 0.08899807932107358,
"volume": 247.1963458967669,
"volume_molar": 6.766596319763541,
"formula_full": "Ta10 N12",
"formula_reduced": "Ta5N6",
"formula_anonymous": "A5B6",
"energy_above_hull": 6.980515954545455,
"spacegroup": 193
},
{
"id": "jvasp-102207",
"created_at": "2022-09-04T14:36:34.428766Z",
"updated_at": "2022-09-04T14:36:34.428784Z",
"structure_string": "In3 Cu1 Se5\n1.0\n5.299220 -0.001973 2.331004\n2.604646 6.525799 1.202020\n0.006697 0.007949 7.150026\nIn Cu Se\n3 1 5\ndirect\n0.811376 0.813682 0.585644 In\n0.625635 0.593514 0.202540 In\n0.402777 0.379752 0.805066 In\n0.965761 0.017329 0.006221 Cu\n0.065695 0.266416 0.127105 Se\n0.897719 0.107970 0.684717 Se\n0.616323 0.934477 0.295327 Se\n0.420542 0.719552 0.905675 Se\n0.244176 0.467312 0.487702 Se\n",
"nsites": 9,
"nelements": 3,
"elements": [
"In",
"Cu",
"Se"
],
"chemical_system": "Cu-In-Se",
"density": 5.392892965888449,
"density_atomic": 0.03640892438948138,
"volume": 247.19214178708668,
"volume_molar": 16.540287473419045,
"formula_full": "In3 Cu1 Se5",
"formula_reduced": "In3CuSe5",
"formula_anonymous": "AB3C5",
"energy_above_hull": 0.6119963548148147,
"spacegroup": 1
},
{
"id": "jvasp-66481",
"created_at": "2022-09-04T14:36:21.743316Z",
"updated_at": "2022-09-04T14:36:21.743342Z",
"structure_string": "Ba4 Bi1 Mo1\n1.0\n0.000000 4.981150 4.981150\n4.981150 -0.000000 4.981150\n4.981150 4.981150 0.000000\nBa Bi Mo\n4 1 1\ndirect\n0.126568 0.624478 0.624478 Ba\n0.624478 0.624478 0.624478 Ba\n0.624478 0.126568 0.624478 Ba\n0.624478 0.624478 0.126568 Ba\n0.250000 0.250000 0.250000 Bi\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Bi",
"Mo"
],
"chemical_system": "Ba-Bi-Mo",
"density": 5.738577452995871,
"density_atomic": 0.02427349959054003,
"volume": 247.18314627934183,
"volume_molar": 24.80952833989778,
"formula_full": "Ba4 Bi1 Mo1",
"formula_reduced": "Ba4BiMo",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2226456799999998,
"spacegroup": 216
},
{
"id": "jvasp-85416",
"created_at": "2022-09-04T14:36:01.658035Z",
"updated_at": "2022-09-04T14:36:01.658054Z",
"structure_string": "Ag8 S4\n1.0\n4.179946 0.000000 -0.662385\n0.000000 7.406305 0.000000\n0.088733 0.000000 7.969809\nAg S\n8 4\ndirect\n0.749992 0.499562 0.249821 Ag\n0.250008 0.500437 0.750179 Ag\n0.671295 0.749978 0.557122 Ag\n0.750009 -0.000437 0.250179 Ag\n0.249991 0.000437 0.749821 Ag\n0.328705 0.250022 0.442878 Ag\n0.171295 0.750021 0.057122 Ag\n0.828705 0.249978 0.942878 Ag\n0.585381 0.750520 0.861833 S\n0.914620 0.250521 0.638166 S\n0.414620 0.249479 0.138167 S\n0.085380 0.749479 0.361833 S\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ag",
"S"
],
"chemical_system": "Ag-S",
"density": 6.659277428373942,
"density_atomic": 0.04855070154658223,
"volume": 247.16429665772256,
"volume_molar": 12.403818210993357,
"formula_full": "Ag8 S4",
"formula_reduced": "Ag2S",
"formula_anonymous": "AB2",
"energy_above_hull": 0.3908908333333333,
"spacegroup": 63
},
{
"id": "jvasp-64861",
"created_at": "2022-09-04T14:35:42.196432Z",
"updated_at": "2022-09-04T14:35:42.196457Z",
"structure_string": "Ba4 Nb1 Bi1\n1.0\n-0.000000 4.981021 4.981021\n4.981021 0.000000 4.981021\n4.981021 4.981021 -0.000000\nBa Nb Bi\n4 1 1\ndirect\n0.126571 0.624476 0.624476 Ba\n0.624476 0.624476 0.624476 Ba\n0.624476 0.126571 0.624476 Ba\n0.624476 0.624476 0.126571 Ba\n0.000000 0.000000 0.000000 Nb\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Nb",
"Bi"
],
"chemical_system": "Ba-Bi-Nb",
"density": 5.718642338147885,
"density_atomic": 0.024275385566854584,
"volume": 247.16394240066577,
"volume_molar": 24.807600865555692,
"formula_full": "Ba4 Nb1 Bi1",
"formula_reduced": "Ba4NbBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1115695966666663,
"spacegroup": 216
},
{
"id": "jvasp-64474",
"created_at": "2022-09-04T14:36:06.445300Z",
"updated_at": "2022-09-04T14:36:06.445333Z",
"structure_string": "Ba4 Be1 Sn1\n1.0\n0.000000 4.981019 4.981019\n4.981019 0.000000 4.981019\n4.981019 4.981019 0.000000\nBa Be Sn\n4 1 1\ndirect\n0.122947 0.625685 0.625685 Ba\n0.625685 0.625685 0.625685 Ba\n0.625685 0.122947 0.625685 Ba\n0.625685 0.625685 0.122947 Ba\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Be",
"Sn"
],
"chemical_system": "Ba-Be-Sn",
"density": 4.54854543013959,
"density_atomic": 0.024275414808335474,
"volume": 247.16364467394285,
"volume_molar": 24.80757098301847,
"formula_full": "Ba4 Be1 Sn1",
"formula_reduced": "Ba4BeSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.3320986133333332,
"spacegroup": 216
},
{
"id": "jvasp-10291",
"created_at": "2022-09-04T14:38:32.558569Z",
"updated_at": "2022-09-04T14:38:32.558601Z",
"structure_string": "Se2 S4 N4 O4\n1.0\n4.269067 0.000000 -1.178541\n-0.247433 6.930048 -0.896286\n0.012051 -0.101061 8.364910\nSe S N O\n2 4 4 4\ndirect\n0.871209 0.250000 0.000000 Se\n0.128793 0.750000 -0.000000 Se\n0.492369 0.375600 0.682259 S\n0.810110 0.124400 0.317742 S\n0.507632 0.624401 0.317741 S\n0.189891 0.875600 0.682258 S\n0.508267 0.303799 0.849556 N\n0.658710 0.196201 0.150444 N\n0.491735 0.696201 0.150443 N\n0.341291 0.803800 0.849556 N\n0.792531 0.406543 0.642339 O\n0.150192 0.093457 0.357662 O\n0.849809 0.906543 0.642338 O\n0.207470 0.593457 0.357661 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Se",
"S",
"N",
"O"
],
"chemical_system": "N-O-S-Se",
"density": 2.729110934966965,
"density_atomic": 0.05664420741869917,
"volume": 247.1567815666598,
"volume_molar": 10.631520917021419,
"formula_full": "Se2 S4 N4 O4",
"formula_reduced": "SeS2(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.293325266666667,
"spacegroup": 15
},
{
"id": "jvasp-104743",
"created_at": "2022-09-04T14:36:52.430142Z",
"updated_at": "2022-09-04T14:36:52.430157Z",
"structure_string": "Ga4 Bi3 As1\n1.0\n4.440708 0.035806 14.062344\n2.197396 3.859096 14.062344\n0.061025 0.035806 14.746717\nGa Bi As\n4 3 1\ndirect\n0.057130 0.057130 0.057130 Ga\n0.810520 0.810523 0.810519 Ga\n0.564052 0.564054 0.564051 Ga\n0.317699 0.317701 0.317699 Ga\n0.747009 0.747012 0.747008 Bi\n0.500291 0.500293 0.500290 Bi\n0.253413 0.253414 0.253413 Bi\n-0.000117 -0.000117 -0.000117 As\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ga",
"Bi",
"As"
],
"chemical_system": "As-Bi-Ga",
"density": 6.589567708968426,
"density_atomic": 0.03236960292596868,
"volume": 247.14544748344625,
"volume_molar": 18.604308411731264,
"formula_full": "Ga4 Bi3 As1",
"formula_reduced": "Ga4Bi3As",
"formula_anonymous": "AB3C4",
"energy_above_hull": 0.4707804937500001,
"spacegroup": 160
},
{
"id": "jvasp-113172",
"created_at": "2022-09-04T14:38:46.754144Z",
"updated_at": "2022-09-04T14:38:46.754163Z",
"structure_string": "Li2 Fe2 P4 O14\n1.0\n5.836435 0.042010 2.430111\n0.738866 6.259239 0.661606\n0.030158 0.076222 6.787829\nLi Fe P O\n2 2 4 14\ndirect\n0.705164 0.011892 0.825341 Li\n0.294836 0.988112 0.174659 Li\n0.097349 0.649995 0.774565 Fe\n0.902652 0.350010 0.225436 Fe\n0.347732 0.396898 0.347552 P\n0.652268 0.603106 0.652449 P\n0.213634 0.133475 0.767877 P\n0.786367 0.866530 0.232123 P\n0.950929 0.668793 0.120262 O\n0.400160 0.584030 0.794844 O\n0.599841 0.415974 0.205156 O\n0.778888 0.397703 0.539472 O\n0.635438 0.785834 0.470923 O\n0.049071 0.331213 0.879739 O\n0.383274 0.039347 0.867494 O\n0.364563 0.214171 0.529077 O\n0.935388 0.028981 0.252685 O\n0.779184 0.691755 0.769628 O\n0.616726 0.960659 0.132507 O\n0.221112 0.602302 0.460529 O\n0.220816 0.308250 0.230372 O\n0.064612 0.971024 0.747315 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P",
"density": 3.1811211874568355,
"density_atomic": 0.08901675201553856,
"volume": 247.1444924901296,
"volume_molar": 6.765176917428743,
"formula_full": "Li2 Fe2 P4 O14",
"formula_reduced": "LiFeP2O7",
"formula_anonymous": "ABC2D7",
"energy_above_hull": 2.7709019090909086,
"spacegroup": 2
},
{
"id": "jvasp-59750",
"created_at": "2022-09-04T14:38:33.943146Z",
"updated_at": "2022-09-04T14:38:33.943163Z",
"structure_string": "Yb4 Ge4 O14\n1.0\n6.100303 0.000000 3.522012\n2.033434 5.751421 3.522012\n0.000000 0.000000 7.044023\nYb Ge O\n4 4 14\ndirect\n0.499999 0.500000 0.500000 Yb\n-0.000000 0.500000 0.500000 Yb\n0.500000 -0.000000 0.500000 Yb\n0.499999 0.500000 0.000000 Yb\n0.000000 0.000000 0.000000 Ge\n0.000000 0.000000 0.500000 Ge\n0.500000 -0.000000 0.000000 Ge\n-0.000000 0.500000 0.000000 Ge\n0.674389 0.075611 0.075611 O\n0.075611 0.075611 0.674389 O\n0.674389 0.674389 0.075611 O\n0.325610 0.924389 0.924389 O\n0.375000 0.375000 0.375000 O\n0.674389 0.075611 0.674389 O\n0.075610 0.674389 0.075611 O\n0.325610 0.924389 0.325611 O\n0.325610 0.325611 0.924389 O\n0.924388 0.924389 0.325611 O\n0.924389 0.325611 0.924389 O\n0.075610 0.674389 0.674389 O\n0.624999 0.625000 0.625000 O\n0.924389 0.325611 0.325611 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"O"
],
"chemical_system": "Ge-O-Yb",
"density": 8.107841574451182,
"density_atomic": 0.08901749110856033,
"volume": 247.14244050273373,
"volume_molar": 6.765120747624491,
"formula_full": "Yb4 Ge4 O14",
"formula_reduced": "Yb2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy_above_hull": 1.7160918272727272,
"spacegroup": 227
},
{
"id": "jvasp-63993",
"created_at": "2022-09-04T14:36:12.205233Z",
"updated_at": "2022-09-04T14:36:12.205261Z",
"structure_string": "Ba4 Hf1 Sc1\n1.0\n-0.000000 4.980870 4.980870\n4.980870 0.000000 4.980870\n4.980870 4.980870 -0.000000\nBa Hf Sc\n4 1 1\ndirect\n0.126399 0.624534 0.624534 Ba\n0.624534 0.624534 0.624534 Ba\n0.624534 0.126399 0.624534 Ba\n0.624534 0.624534 0.126399 Ba\n0.250000 0.250000 0.250000 Hf\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Hf",
"Sc"
],
"chemical_system": "Ba-Hf-Sc",
"density": 5.192119668276283,
"density_atomic": 0.02427759343075035,
"volume": 247.14146470548906,
"volume_molar": 24.80534480148378,
"formula_full": "Ba4 Hf1 Sc1",
"formula_reduced": "Ba4HfSc",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4702503549999997,
"spacegroup": 216
}
]
}