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=3518",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=volume&page=3516",
"results": [
{
"id": "jvasp-57546",
"created_at": "2022-09-04T14:36:49.043477Z",
"updated_at": "2022-09-04T14:36:49.043499Z",
"structure_string": "Ba3 In2 Cl2 O5\n1.0\n4.224191 0.000000 -0.707626\n-0.118540 4.222528 -0.707626\n0.001614 0.001660 12.971659\nBa In Cl O\n3 2 2 5\ndirect\n0.661914 0.661914 0.323826 Ba\n0.500000 0.500000 -0.000000 Ba\n0.338085 0.338086 0.676173 Ba\n0.917350 0.917351 0.834702 In\n0.082649 0.082649 0.165297 In\n0.205993 0.205993 0.411986 Cl\n0.794006 0.794007 0.588014 Cl\n0.094015 0.594016 0.188032 O\n0.405984 0.905985 0.811968 O\n0.905984 0.405985 0.811968 O\n0.000000 0.000000 0.000000 O\n0.594015 0.094015 0.188032 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"In",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-In-O",
"density": 5.687600620958583,
"density_atomic": 0.051862208960650975,
"volume": 231.38235413583462,
"volume_molar": 11.611809216551368,
"formula_full": "Ba3 In2 Cl2 O5",
"formula_reduced": "Ba3In2Cl2O5",
"formula_anonymous": "A2B2C3D5",
"energy_above_hull": 0.8714477904166668,
"spacegroup": 139
},
{
"id": "jvasp-103822",
"created_at": "2022-09-04T14:36:51.910646Z",
"updated_at": "2022-09-04T14:36:51.910660Z",
"structure_string": "H6 C12 S2 O1\n1.0\n3.713485 0.020907 0.633659\n1.662439 6.003296 0.417887\n-0.094408 -0.084663 10.377345\nH C S O\n6 12 2 1\ndirect\n0.905085 0.855465 0.802186 H\n0.632589 0.737841 0.156351 H\n0.496091 0.799645 0.407333 H\n0.123427 0.122139 0.596054 H\n0.244417 0.137774 0.821809 H\n0.773816 0.841897 0.577033 H\n0.874941 0.687212 0.630654 C\n0.951642 0.695786 0.755901 C\n0.232165 0.353372 0.062940 C\n0.946104 0.480695 0.568769 C\n0.091926 0.498506 0.826099 C\n0.075520 0.283807 0.640768 C\n0.186128 0.530106 0.955911 C\n0.042569 0.422331 0.190479 C\n0.909813 0.481110 0.431268 C\n0.696930 0.653471 0.361399 C\n0.769097 0.620466 0.226511 C\n0.141955 0.291770 0.768255 C\n0.573000 0.121624 0.032045 S\n0.192006 0.271549 0.328167 S\n0.250811 0.706728 0.979834 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S",
"density": 1.6528021063977416,
"density_atomic": 0.09075840573649456,
"volume": 231.38352673327933,
"volume_molar": 6.635353178728719,
"formula_full": "H6 C12 S2 O1",
"formula_reduced": "H6C12S2O",
"formula_anonymous": "AB2C6D12",
"energy_above_hull": 5.677163976190476,
"spacegroup": 1
},
{
"id": "jvasp-42239",
"created_at": "2022-09-04T14:35:43.404620Z",
"updated_at": "2022-09-04T14:35:43.404638Z",
"structure_string": "Fe8 O12 F4\n1.0\n5.328539 0.007675 0.015755\n-2.224096 4.842072 -0.017221\n-2.083678 -2.082152 8.961190\nFe O F\n8 12 4\ndirect\n0.873335 0.372112 0.749494 Fe\n0.631617 0.098201 0.233848 Fe\n0.742302 0.736825 0.498142 Fe\n0.257281 0.251783 0.498142 Fe\n0.489393 0.492455 0.000848 Fe\n0.115050 0.646034 0.265140 Fe\n0.373332 0.872117 0.749496 Fe\n0.004369 0.007407 0.000846 Fe\n0.046106 0.855790 0.405941 O\n0.226730 0.925605 0.152705 O\n0.268802 0.575241 0.847199 O\n0.519935 0.818633 0.346284 O\n0.023608 0.322275 0.346279 O\n0.453362 0.634984 0.592392 O\n0.477869 0.168989 0.651788 O\n0.293306 0.109252 0.906596 O\n0.978758 0.669894 0.651791 O\n0.723057 0.421966 0.152712 O\n0.767908 0.074330 0.847195 O\n0.700557 0.888446 0.093045 O\n0.800913 0.586153 0.891135 F\n0.945766 0.158073 0.607860 F\n0.561459 0.321255 0.386747 F\n0.185198 0.422979 0.112237 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 5.128986736799882,
"density_atomic": 0.10371503921181267,
"volume": 231.40327750333154,
"volume_molar": 5.8064296227100165,
"formula_full": "Fe8 O12 F4",
"formula_reduced": "Fe2O3F",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.32135696375,
"spacegroup": 12
},
{
"id": "jvasp-7641",
"created_at": "2022-09-04T14:37:04.484436Z",
"updated_at": "2022-09-04T14:37:04.484474Z",
"structure_string": "Na2 Ga2 Te4\n1.0\n6.512126 0.003723 -1.751135\n-3.826434 5.269364 -1.751135\n-0.001896 -0.003723 6.743459\nNa Ga Te\n2 2 4\ndirect\n0.250000 0.250000 0.000000 Na\n0.750000 0.749999 0.000001 Na\n0.750000 0.250000 0.500001 Ga\n0.250000 0.750000 0.500001 Ga\n0.677386 0.177386 0.854773 Te\n0.177386 0.322614 0.500000 Te\n0.822614 0.677386 0.500001 Te\n0.322614 0.822613 0.145228 Te\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Na",
"Ga",
"Te"
],
"chemical_system": "Ga-Na-Te",
"density": 4.993036729527147,
"density_atomic": 0.03457047015282652,
"volume": 231.41137406098917,
"volume_molar": 17.41989835075362,
"formula_full": "Na2 Ga2 Te4",
"formula_reduced": "NaGaTe2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0173367145833334,
"spacegroup": 140
},
{
"id": "jvasp-86875",
"created_at": "2022-09-04T14:35:52.041596Z",
"updated_at": "2022-09-04T14:35:52.041616Z",
"structure_string": "Tb4 In2 Ge4\n1.0\n4.170907 0.000000 -0.000000\n-0.000000 7.448725 0.000000\n0.000000 -0.000000 7.448725\nTb In Ge\n4 2 4\ndirect\n0.500000 0.821221 0.321222 Tb\n0.500000 0.178778 0.678778 Tb\n0.500000 0.321222 0.178778 Tb\n0.500000 0.678778 0.821221 Tb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.879091 0.620908 Ge\n0.000000 0.120909 0.379091 Ge\n0.000000 0.379091 0.879091 Ge\n0.000000 0.620908 0.120909 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"In",
"Ge"
],
"chemical_system": "Ge-In-Tb",
"density": 8.29419031585735,
"density_atomic": 0.0432121238351977,
"volume": 231.41653574209815,
"volume_molar": 13.936229524304862,
"formula_full": "Tb4 In2 Ge4",
"formula_reduced": "Tb2InGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7010537339999998,
"spacegroup": 127
},
{
"id": "jvasp-33311",
"created_at": "2022-09-04T14:38:34.134149Z",
"updated_at": "2022-09-04T14:38:34.134182Z",
"structure_string": "B4 H8 C4 O4\n1.0\n5.220288 2.218037 -0.864115\n-5.220288 2.218037 0.864115\n-0.243375 0.000000 10.033490\nB H C O\n4 8 4 4\ndirect\n0.642958 0.485924 0.485251 B\n0.485923 0.642958 0.014749 B\n0.357044 0.514078 0.514749 B\n0.514078 0.357044 -0.014749 B\n0.515908 0.205536 0.485850 H\n0.205536 0.515908 0.014150 H\n0.794465 0.484094 0.985850 H\n0.484093 0.794466 0.514150 H\n0.806374 0.662098 0.389514 H\n0.337904 0.193627 0.889514 H\n0.193627 0.337904 0.610485 H\n0.662097 0.806375 0.110486 H\n0.861094 0.618367 0.612633 C\n0.618366 0.861095 0.887367 C\n0.138907 0.381635 0.387367 C\n0.381635 0.138907 0.112633 C\n-0.015668 0.281064 0.286353 O\n0.015668 0.718937 0.713647 O\n0.718937 0.015669 0.786352 O\n0.281064 -0.015667 0.213647 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"B",
"H",
"C",
"O"
],
"chemical_system": "B-C-H-O",
"density": 1.1721001000498514,
"density_atomic": 0.08642352825490002,
"volume": 231.41846212308562,
"volume_molar": 6.96817276683975,
"formula_full": "B4 H8 C4 O4",
"formula_reduced": "BH2CO",
"formula_anonymous": "ABCD2",
"energy_above_hull": 3.793093216666666,
"spacegroup": 15
},
{
"id": "jvasp-86273",
"created_at": "2022-09-04T14:36:11.773307Z",
"updated_at": "2022-09-04T14:36:11.773340Z",
"structure_string": "Tb4 In2 Ge4\n1.0\n4.170910 0.000000 -0.000000\n0.000000 7.448825 0.000000\n-0.000000 0.000000 7.448825\nTb In Ge\n4 2 4\ndirect\n0.500000 0.821232 0.321232 Tb\n0.500000 0.178768 0.678767 Tb\n0.500000 0.321232 0.178768 Tb\n0.500000 0.678767 0.821232 Tb\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.000000 0.879090 0.620909 Ge\n0.000000 0.120909 0.379090 Ge\n0.000000 0.379090 0.879090 Ge\n0.000000 0.620909 0.120909 Ge\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Tb",
"In",
"Ge"
],
"chemical_system": "Ge-In-Tb",
"density": 8.293961653820089,
"density_atomic": 0.0432109325227375,
"volume": 231.42291582663765,
"volume_molar": 13.936613741976437,
"formula_full": "Tb4 In2 Ge4",
"formula_reduced": "Tb2InGe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7010577339999998,
"spacegroup": 127
},
{
"id": "jvasp-59757",
"created_at": "2022-09-04T14:37:06.005891Z",
"updated_at": "2022-09-04T14:37:06.005911Z",
"structure_string": "Y1 Mn6 Sn6\n1.0\n2.729882 -4.728294 0.000000\n2.729882 4.728294 -0.000000\n0.000000 0.000000 8.965869\nY Mn Sn\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Y\n0.500000 0.000000 0.751593 Mn\n0.000000 0.500000 0.248407 Mn\n0.500000 0.000000 0.248407 Mn\n0.500000 0.500000 0.248407 Mn\n0.500000 0.500000 0.751593 Mn\n0.000000 0.500000 0.751593 Mn\n0.333333 0.666666 0.500000 Sn\n0.666666 0.333333 0.500000 Sn\n0.333333 0.666666 0.000000 Sn\n0.666666 0.333333 0.000000 Sn\n0.000000 0.000000 0.332849 Sn\n0.000000 0.000000 0.667151 Sn\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Sn"
],
"chemical_system": "Mn-Sn-Y",
"density": 8.112634435940791,
"density_atomic": 0.05616588675037031,
"volume": 231.45721989182854,
"volume_molar": 10.722061216206644,
"formula_full": "Y1 Mn6 Sn6",
"formula_reduced": "Y(MnSn)6",
"formula_anonymous": "AB6C6",
"energy_above_hull": 2.9089822383289112,
"spacegroup": 191
},
{
"id": "jvasp-36449",
"created_at": "2022-09-04T14:37:16.935508Z",
"updated_at": "2022-09-04T14:37:16.935528Z",
"structure_string": "Sr3 Bi1 P1\n1.0\n6.139976 -0.000000 0.000000\n0.000000 6.139976 -0.000000\n-0.000000 -0.000000 6.139976\nSr Bi P\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 0.500000 0.500000 Bi\n0.000000 0.000000 0.000000 P\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Bi",
"P"
],
"chemical_system": "Bi-P-Sr",
"density": 3.6070866742391363,
"density_atomic": 0.021600807350862894,
"volume": 231.4728296394099,
"volume_molar": 27.87923924408053,
"formula_full": "Sr3 Bi1 P1",
"formula_reduced": "Sr3BiP",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.421529746,
"spacegroup": 221
},
{
"id": "jvasp-66467",
"created_at": "2022-09-04T14:36:03.265560Z",
"updated_at": "2022-09-04T14:36:03.265594Z",
"structure_string": "Ba4 Cr1 Rh1\n1.0\n-0.000000 4.873383 4.873383\n4.873383 0.000000 4.873383\n4.873383 4.873383 0.000000\nBa Cr Rh\n4 1 1\ndirect\n0.123617 0.625461 0.625461 Ba\n0.625461 0.625461 0.625461 Ba\n0.625461 0.123617 0.625461 Ba\n0.625461 0.625461 0.123617 Ba\n0.250000 0.250000 0.250000 Cr\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Cr",
"Rh"
],
"chemical_system": "Ba-Cr-Rh",
"density": 5.051605309116434,
"density_atomic": 0.025919679236956296,
"volume": 231.48434612744728,
"volume_molar": 23.23385526860081,
"formula_full": "Ba4 Cr1 Rh1",
"formula_reduced": "Ba4CrRh",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.4138340466666666,
"spacegroup": 216
},
{
"id": "jvasp-100228",
"created_at": "2022-09-04T14:36:33.561537Z",
"updated_at": "2022-09-04T14:36:33.561560Z",
"structure_string": "Th6 Ta2\n1.0\n6.791296 0.000000 -0.000000\n-3.395648 5.881434 -0.000000\n0.000000 -0.000000 5.796334\nTh Ta\n6 2\ndirect\n0.174853 0.349706 0.250000 Th\n0.650294 0.825146 0.250000 Th\n0.174853 0.825146 0.250000 Th\n0.825147 0.650293 0.750000 Th\n0.349706 0.174853 0.750000 Th\n0.825147 0.174853 0.750000 Th\n0.333333 0.666667 0.750000 Ta\n0.666667 0.333333 0.250000 Ta\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Th",
"Ta"
],
"chemical_system": "Ta-Th",
"density": 12.581143837353933,
"density_atomic": 0.03455418839416442,
"volume": 231.5204139290696,
"volume_molar": 17.428106518679023,
"formula_full": "Th6 Ta2",
"formula_reduced": "Th3Ta",
"formula_anonymous": "AB3",
"energy_above_hull": 4.279404,
"spacegroup": 194
},
{
"id": "jvasp-33064",
"created_at": "2022-09-04T14:37:05.281564Z",
"updated_at": "2022-09-04T14:37:05.281591Z",
"structure_string": "Si2 H12 N4 F8\n1.0\n4.968381 0.000000 -0.533674\n0.000000 7.159268 0.000000\n-0.349797 0.000000 6.546509\nSi H N F\n2 12 4 8\ndirect\n-0.000000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Si\n0.229830 0.830011 0.310025 H\n0.770170 0.169990 0.689976 H\n0.229829 0.669990 0.810025 H\n0.208677 0.060415 0.357381 H\n0.791323 0.560415 0.142620 H\n0.770170 0.330011 0.189976 H\n0.208677 0.439585 0.857381 H\n0.443516 0.980690 0.223293 H\n0.556484 0.480690 0.276707 H\n0.556484 0.019310 0.776707 H\n0.443515 0.519311 0.723293 H\n0.791322 0.939585 0.642620 H\n0.246967 0.962117 0.250268 N\n0.753033 0.462117 0.249733 N\n0.246966 0.537884 0.750268 N\n0.753032 0.037884 0.749733 N\n0.243854 0.571122 0.358610 F\n0.113921 0.274797 0.497534 F\n0.886079 0.774798 0.002466 F\n0.886079 0.725203 0.502466 F\n0.113920 0.225203 0.997534 F\n0.756145 0.428878 0.641391 F\n0.243854 0.928878 0.858610 F\n0.756145 0.071122 0.141391 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Si",
"H",
"N",
"F"
],
"chemical_system": "F-H-N-Si",
"density": 1.9815522087065098,
"density_atomic": 0.11230002220408981,
"volume": 231.52266125779195,
"volume_molar": 5.362546366247008,
"formula_full": "Si2 H12 N4 F8",
"formula_reduced": "SiH6(NF2)2",
"formula_anonymous": "AB2C4D6",
"energy_above_hull": 2.554826633076923,
"spacegroup": 14
}
]
}