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_molar&page=510",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-volume_molar&page=508",
"results": [
{
"id": "jvasp-88546",
"created_at": "2022-09-04T14:35:51.188216Z",
"updated_at": "2022-09-04T14:35:51.188244Z",
"structure_string": "Ba6 In4 P8\n1.0\n7.124779 -0.017872 0.003524\n-0.003731 8.664304 2.196133\n-0.028809 -0.003832 8.938251\nBa In P\n6 4 8\ndirect\n0.455382 0.251353 0.994159 Ba\n0.544618 0.748647 0.005840 Ba\n0.955382 0.994159 0.251352 Ba\n0.750000 0.401039 0.598960 Ba\n0.250000 0.598961 0.401039 Ba\n0.044618 0.005841 0.748647 Ba\n0.585059 0.826098 0.580985 In\n0.914941 0.419013 0.173901 In\n0.414941 0.173902 0.419013 In\n0.085059 0.580986 0.826098 In\n0.972802 0.288888 0.941405 P\n0.027198 0.711112 0.058594 P\n0.472802 0.941405 0.288887 P\n0.566205 0.429480 0.256094 P\n0.933795 0.743906 0.570519 P\n0.433795 0.570520 0.743905 P\n0.527198 0.058595 0.711112 P\n0.066205 0.256094 0.429480 P\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ba",
"In",
"P"
],
"chemical_system": "Ba-In-P",
"density": 4.607074059135851,
"density_atomic": 0.03261869450930404,
"volume": 551.8307912312598,
"volume_molar": 18.46223722498234,
"formula_full": "Ba6 In4 P8",
"formula_reduced": "Ba3(InP2)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 1.2418255388888888,
"spacegroup": 15
},
{
"id": "jvasp-28619",
"created_at": "2022-09-04T14:38:03.068346Z",
"updated_at": "2022-09-04T14:38:03.068360Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347804 0.000000 -0.000000\n-1.673902 2.899254 -0.000017\n-0.000002 -0.000227 37.901489\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333355 0.666709 0.707805 Te\n0.333349 0.666698 0.607255 Te\n0.333310 0.666621 0.093956 Mo\n0.333310 0.666620 0.469606 W\n0.666693 0.333386 0.281778 W\n0.666690 0.333380 0.657612 W\n0.333360 0.666721 0.325959 Se\n0.666641 0.333283 0.425420 Se\n0.666647 0.333296 0.513749 Se\n0.333350 0.666700 0.237582 Se\n0.666640 0.333280 0.054014 S\n0.666646 0.333292 0.134011 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.78959160813632,
"density_atomic": 0.03261960405026596,
"volume": 367.87693625919894,
"volume_molar": 18.46172243758703,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.125687908333334,
"spacegroup": 156
},
{
"id": "jvasp-28948",
"created_at": "2022-09-04T14:38:11.528917Z",
"updated_at": "2022-09-04T14:38:11.528943Z",
"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n3.347798 0.000000 -0.000000\n-1.673900 2.899265 -0.000001\n-0.000000 -0.000005 37.898862\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333351 0.666705 0.707753 Te\n0.333353 0.666707 0.607182 Te\n0.333311 0.666621 0.093929 Mo\n0.333311 0.666623 0.469646 W\n0.666686 0.333372 0.281815 W\n0.666689 0.333377 0.657553 W\n0.333352 0.666704 0.325961 Se\n0.666648 0.333294 0.050121 Se\n0.666646 0.333291 0.137856 Se\n0.333351 0.666703 0.237637 Se\n0.666648 0.333293 0.429470 S\n0.666647 0.333291 0.509824 S\n",
"nsites": 12,
"nelements": 5,
"elements": [
"Te",
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-Te-W",
"density": 5.789981328952611,
"density_atomic": 0.03262179980768341,
"volume": 367.8521746422354,
"volume_molar": 18.460479788063704,
"formula_full": "Te2 Mo1 W3 Se4 S2",
"formula_reduced": "Te2MoW3(Se2S)2",
"formula_anonymous": "AB2C2D3E4",
"energy_above_hull": 4.124586241666667,
"spacegroup": 156
},
{
"id": "jvasp-105840",
"created_at": "2022-09-04T14:36:07.741701Z",
"updated_at": "2022-09-04T14:36:07.741712Z",
"structure_string": "Pm1 Ho3\n1.0\n4.967952 0.000000 -0.000000\n0.000000 4.967952 0.000000\n-0.000000 0.000000 4.967952\nPm Ho\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.000000 Ho\n0.500000 0.000000 0.500000 Ho\n0.000000 0.500000 0.500000 Ho\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Pm",
"Ho"
],
"chemical_system": "Ho-Pm",
"density": 8.664729787524177,
"density_atomic": 0.03262329461227014,
"volume": 122.61177319888274,
"volume_molar": 18.459633925921686,
"formula_full": "Pm1 Ho3",
"formula_reduced": "PmHo3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.44909696875,
"spacegroup": 221
},
{
"id": "jvasp-110017",
"created_at": "2022-09-04T14:38:17.960507Z",
"updated_at": "2022-09-04T14:38:17.960527Z",
"structure_string": "Nd6 In2\n1.0\n7.115822 -0.000000 0.000000\n-3.557911 6.162483 0.000000\n-0.000000 -0.000000 5.592147\nNd In\n6 2\ndirect\n0.825000 0.174999 0.750000 Nd\n0.350000 0.174999 0.750000 Nd\n0.825000 0.650000 0.750000 Nd\n0.174999 0.825000 0.250000 Nd\n0.650000 0.825000 0.250000 Nd\n0.174999 0.350000 0.250000 Nd\n0.666666 0.333333 0.250000 In\n0.333333 0.666666 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Nd",
"In"
],
"chemical_system": "In-Nd",
"density": 7.4154707856897515,
"density_atomic": 0.032623503417825044,
"volume": 245.22197685331696,
"volume_molar": 18.459515775701707,
"formula_full": "Nd6 In2",
"formula_reduced": "Nd3In",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0575826666666668,
"spacegroup": 194
},
{
"id": "jvasp-117626",
"created_at": "2022-09-04T14:38:36.268600Z",
"updated_at": "2022-09-04T14:38:36.268626Z",
"structure_string": "Ba1 Se3\n1.0\n8.468024 0.238100 -1.257789\n-5.177769 -4.399643 0.879580\n2.570880 2.622245 -3.851745\nBa Se\n1 3\ndirect\n0.688427 0.076908 0.456243 Ba\n0.185925 0.073817 -0.029375 Se\n0.673351 0.561488 0.458440 Se\n0.120269 0.150823 0.666846 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Se"
],
"chemical_system": "Ba-Se",
"density": 5.067941879584437,
"density_atomic": 0.03262350450195048,
"volume": 122.61098435212102,
"volume_molar": 18.459515162265756,
"formula_full": "Ba1 Se3",
"formula_reduced": "BaSe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0581041833333331,
"spacegroup": 8
},
{
"id": "jvasp-5410",
"created_at": "2022-09-04T14:37:28.926579Z",
"updated_at": "2022-09-04T14:37:28.926593Z",
"structure_string": "Bi6 Se6\n1.0\n2.133138 -3.694703 -0.000000\n2.133138 3.694703 0.000000\n-0.000000 -0.000000 23.334684\nBi Se\n6 6\ndirect\n0.666667 0.333334 0.538674 Bi\n0.333334 0.666667 0.461325 Bi\n0.666667 0.333334 0.284439 Bi\n0.333334 0.666667 0.715561 Bi\n-0.000000 0.000000 0.121728 Bi\n-0.000000 0.000000 0.878271 Bi\n-0.000000 0.000000 0.351658 Se\n-0.000000 0.000000 0.648342 Se\n0.666667 0.333334 0.795609 Se\n0.333334 0.666667 0.204391 Se\n0.666667 0.333334 0.056501 Se\n0.333334 0.666667 0.943499 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 7.799603872325718,
"density_atomic": 0.03262502407277233,
"volume": 367.81582055642883,
"volume_molar": 18.4586553762143,
"formula_full": "Bi6 Se6",
"formula_reduced": "BiSe",
"formula_anonymous": "AB",
"energy_above_hull": 0.5950938333333333,
"spacegroup": 164
},
{
"id": "jvasp-38324",
"created_at": "2022-09-04T14:37:52.836972Z",
"updated_at": "2022-09-04T14:37:52.836991Z",
"structure_string": "Li1 Ca2 Mg1\n1.0\n-0.000000 3.942912 3.942912\n3.942912 0.000000 3.942912\n3.942912 3.942912 0.000000\nLi Ca Mg\n1 2 1\ndirect\n0.249999 0.249999 0.249999 Li\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.750001 0.750001 0.750001 Mg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Ca",
"Mg"
],
"chemical_system": "Ca-Li-Mg",
"density": 1.50890131316662,
"density_atomic": 0.032627120173707606,
"volume": 122.59739684973421,
"volume_molar": 18.457469515967,
"formula_full": "Li1 Ca2 Mg1",
"formula_reduced": "LiCa2Mg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-118394",
"created_at": "2022-09-04T14:38:48.403686Z",
"updated_at": "2022-09-04T14:38:48.403718Z",
"structure_string": "Ge1 Pb1 S1\n1.0\n5.731381 1.597531 0.000000\n1.365183 5.498062 0.000000\n0.000000 0.000000 3.134846\nGe Pb S\n1 1 1\ndirect\n-0.055161 -0.029666 0.000000 Ge\n0.478128 -0.099814 0.000000 Pb\n-0.088984 0.386481 0.000000 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ge",
"Pb",
"S"
],
"chemical_system": "Ge-Pb-S",
"density": 5.632935531303141,
"density_atomic": 0.032627560321157795,
"volume": 91.94680725345586,
"volume_molar": 18.457220523763343,
"formula_full": "Ge1 Pb1 S1",
"formula_reduced": "GePbS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9233622566666666,
"spacegroup": 6
},
{
"id": "jvasp-110178",
"created_at": "2022-09-04T14:38:19.249391Z",
"updated_at": "2022-09-04T14:38:19.249423Z",
"structure_string": "Sb1 Pb3\n1.0\n3.490567 -0.000000 0.000000\n-1.745284 3.022919 0.000000\n-0.000000 -0.000000 11.618294\nSb Pb\n1 3\ndirect\n0.333334 0.666667 0.500000 Sb\n0.333334 0.666667 -0.000000 Pb\n0.000000 0.000000 0.744605 Pb\n0.000000 0.000000 0.255394 Pb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Pb"
],
"chemical_system": "Pb-Sb",
"density": 10.068932621907527,
"density_atomic": 0.03262835211635691,
"volume": 122.5927679625218,
"volume_molar": 18.456772620708115,
"formula_full": "Sb1 Pb3",
"formula_reduced": "SbPb3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.60244714,
"spacegroup": 187
},
{
"id": "jvasp-90710",
"created_at": "2022-09-04T14:36:12.362860Z",
"updated_at": "2022-09-04T14:36:12.362895Z",
"structure_string": "Tb2 Te6\n1.0\n-4.352625 0.000000 0.000000\n0.000000 -0.000000 -4.354044\n2.176312 -12.937238 -0.000000\nTb Te\n2 6\ndirect\n0.170264 0.749999 0.340528 Tb\n0.829735 0.250000 0.659472 Tb\n0.926710 0.749999 0.853419 Te\n0.073290 0.250000 0.146581 Te\n0.573350 0.749999 0.146701 Te\n0.426649 0.250000 0.853299 Te\n0.294082 0.749999 0.588164 Te\n0.705918 0.250000 0.411837 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tb",
"Te"
],
"chemical_system": "Tb-Te",
"density": 7.337914017378309,
"density_atomic": 0.03262904430276366,
"volume": 245.1803346052157,
"volume_molar": 18.45638108220635,
"formula_full": "Tb2 Te6",
"formula_reduced": "TbTe3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.8011204250000001,
"spacegroup": 63
},
{
"id": "jvasp-20314",
"created_at": "2022-09-04T14:38:28.532316Z",
"updated_at": "2022-09-04T14:38:28.532341Z",
"structure_string": "Nd8 Sb6\n1.0\n7.758994 -0.000000 -2.743219\n-3.879497 6.719486 -2.743219\n0.000000 0.000000 8.229656\nNd Sb\n8 6\ndirect\n0.358561 0.500000 -0.000000 Nd\n0.641438 0.641439 0.641438 Nd\n0.500000 -0.000000 0.358562 Nd\n-0.000000 0.358562 0.500000 Nd\n0.500000 -0.000000 0.858562 Nd\n-0.000000 0.858562 0.500000 Nd\n0.858561 0.500000 -0.000000 Nd\n0.141438 0.141438 0.141438 Nd\n0.750000 0.875001 0.125000 Sb\n0.625000 0.375000 0.250000 Sb\n0.874999 0.125000 0.750000 Sb\n0.125000 0.750000 0.875000 Sb\n0.375000 0.250000 0.625000 Sb\n0.250000 0.625000 0.375000 Sb\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Nd",
"Sb"
],
"chemical_system": "Nd-Sb",
"density": 7.293251095346279,
"density_atomic": 0.03262908416527744,
"volume": 429.0650613754657,
"volume_molar": 18.456358534293525,
"formula_full": "Nd8 Sb6",
"formula_reduced": "Nd4Sb3",
"formula_anonymous": "A3B4",
"energy_above_hull": 1.7009234714285717,
"spacegroup": 220
}
]
}