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=structure_string&page=417",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=structure_string&page=415",
"results": [
{
"id": "jvasp-63960",
"created_at": "2022-09-04T14:35:53.996468Z",
"updated_at": "2022-09-04T14:35:53.996495Z",
"structure_string": "Ba4 Fe1 Sb1\n1.0\n-0.000000 4.897725 4.897725\n4.897725 0.000000 4.897725\n4.897725 4.897725 0.000000\nBa Fe Sb\n4 1 1\ndirect\n0.124287 0.625237 0.625237 Ba\n0.625237 0.625237 0.625237 Ba\n0.625237 0.124287 0.625237 Ba\n0.625237 0.625237 0.124287 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Sb"
],
"chemical_system": "Ba-Fe-Sb",
"density": 5.137103882769893,
"density_atomic": 0.025535129533911582,
"volume": 234.97041563982597,
"volume_molar": 23.583748623645626,
"formula_full": "Ba4 Fe1 Sb1",
"formula_reduced": "Ba4FeSb",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.87913758,
"spacegroup": 216
},
{
"id": "jvasp-66543",
"created_at": "2022-09-04T14:36:06.630540Z",
"updated_at": "2022-09-04T14:36:06.630561Z",
"structure_string": "Ba4 Fe1 Se1\n1.0\n-0.000000 4.851459 4.851459\n4.851459 -0.000000 4.851459\n4.851459 4.851459 -0.000000\nBa Fe Se\n4 1 1\ndirect\n0.124871 0.625043 0.625043 Ba\n0.625043 0.625043 0.625043 Ba\n0.625043 0.124871 0.625043 Ba\n0.625043 0.625043 0.124871 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Se\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Se"
],
"chemical_system": "Ba-Fe-Se",
"density": 4.974275656391567,
"density_atomic": 0.026272666818654367,
"volume": 228.3742279158286,
"volume_molar": 22.92169577442402,
"formula_full": "Ba4 Fe1 Se1",
"formula_reduced": "Ba4FeSe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8318154577777777,
"spacegroup": 216
},
{
"id": "jvasp-66407",
"created_at": "2022-09-04T14:35:46.302707Z",
"updated_at": "2022-09-04T14:35:46.302732Z",
"structure_string": "Ba4 Fe1 Si1\n1.0\n-0.000000 4.836247 4.836247\n4.836247 0.000000 4.836247\n4.836247 4.836247 0.000000\nBa Fe Si\n4 1 1\ndirect\n0.124108 0.625298 0.625298 Ba\n0.625298 0.625298 0.625298 Ba\n0.625298 0.124108 0.625298 Ba\n0.625298 0.625298 0.124108 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Si"
],
"chemical_system": "Ba-Fe-Si",
"density": 4.647945138770025,
"density_atomic": 0.02652136269045906,
"volume": 226.23271926213928,
"volume_molar": 22.7067546652361,
"formula_full": "Ba4 Fe1 Si1",
"formula_reduced": "Ba4FeSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2210479966666663,
"spacegroup": 216
},
{
"id": "jvasp-64057",
"created_at": "2022-09-04T14:35:57.491096Z",
"updated_at": "2022-09-04T14:35:57.491120Z",
"structure_string": "Ba4 Fe1 Sn1\n1.0\n-0.000000 4.907222 4.907222\n4.907222 0.000000 4.907222\n4.907222 4.907222 -0.000000\nBa Fe Sn\n4 1 1\ndirect\n0.124610 0.625130 0.625130 Ba\n0.625130 0.625130 0.625130 Ba\n0.625130 0.124610 0.625130 Ba\n0.625130 0.625130 0.124610 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Sn"
],
"chemical_system": "Ba-Fe-Sn",
"density": 5.0859063993395335,
"density_atomic": 0.02538716102875144,
"volume": 236.3399354975094,
"volume_molar": 23.721205979588703,
"formula_full": "Ba4 Fe1 Sn1",
"formula_reduced": "Ba4FeSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.6744185133333332,
"spacegroup": 216
},
{
"id": "jvasp-66036",
"created_at": "2022-09-04T14:35:48.269144Z",
"updated_at": "2022-09-04T14:35:48.269170Z",
"structure_string": "Ba4 Fe1 Te1\n1.0\n0.000000 4.920378 4.920378\n4.920378 0.000000 4.920378\n4.920378 4.920378 0.000000\nBa Fe Te\n4 1 1\ndirect\n0.125314 0.624895 0.624895 Ba\n0.624895 0.624895 0.624895 Ba\n0.624895 0.125314 0.624895 Ba\n0.624895 0.624895 0.125314 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"Te"
],
"chemical_system": "Ba-Fe-Te",
"density": 5.1071816266724674,
"density_atomic": 0.025184066106862236,
"volume": 238.24588033324375,
"volume_molar": 23.912503780948494,
"formula_full": "Ba4 Fe1 Te1",
"formula_reduced": "Ba4FeTe",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.7325045244444444,
"spacegroup": 216
},
{
"id": "jvasp-66454",
"created_at": "2022-09-04T14:35:49.014400Z",
"updated_at": "2022-09-04T14:35:49.014434Z",
"structure_string": "Ba4 Fe1 W1\n1.0\n0.000000 4.779272 4.779272\n4.779272 0.000000 4.779272\n4.779272 4.779272 0.000000\nBa Fe W\n4 1 1\ndirect\n0.124825 0.625058 0.625058 Ba\n0.625058 0.625058 0.625058 Ba\n0.625058 0.124825 0.625058 Ba\n0.625058 0.625058 0.124825 Ba\n0.250000 0.250000 0.250000 Fe\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Fe",
"W"
],
"chemical_system": "Ba-Fe-W",
"density": 6.000770369346355,
"density_atomic": 0.027481220121189375,
"volume": 218.3309173879694,
"volume_molar": 21.913658612838052,
"formula_full": "Ba4 Fe1 W1",
"formula_reduced": "Ba4FeW",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.2226648966666667,
"spacegroup": 216
},
{
"id": "jvasp-120549",
"created_at": "2022-09-04T14:38:45.317183Z",
"updated_at": "2022-09-04T14:38:45.317213Z",
"structure_string": "Ba4 Fe2 Co2 Cl2 F14\n1.0\n5.785771 0.000000 0.000000\n-0.000000 7.279488 2.239135\n-0.000000 0.043330 8.863821\nBa Fe Co Cl F\n4 2 2 2 14\ndirect\n0.250000 0.676832 0.586723 Ba\n0.750000 0.323168 0.413277 Ba\n0.250000 0.705506 0.068243 Ba\n0.750000 0.294495 0.931758 Ba\n0.250000 0.176099 0.732113 Fe\n0.750000 0.823901 0.267888 Fe\n0.250000 0.177949 0.183769 Co\n0.750000 0.822051 0.816231 Co\n0.250000 0.119721 0.477265 Cl\n0.750000 0.880279 0.522736 Cl\n0.507412 0.640595 0.344010 F\n0.007412 0.359406 0.655990 F\n0.493411 0.374912 0.159725 F\n0.993411 0.625089 0.840275 F\n0.506589 0.625089 0.840275 F\n0.006589 0.374912 0.159725 F\n0.750000 0.756968 0.065251 F\n0.990496 -0.000100 0.177273 F\n0.509504 -0.000100 0.177273 F\n0.009504 0.000100 0.822727 F\n-0.007412 0.640595 0.344010 F\n0.250000 0.243033 0.934749 F\n0.490496 0.000100 0.822727 F\n0.492587 0.359406 0.655990 F\n",
"nsites": 24,
"nelements": 5,
"elements": [
"Ba",
"Fe",
"Co",
"Cl",
"F"
],
"chemical_system": "Ba-Cl-Co-F-Fe",
"density": 4.970335388573427,
"density_atomic": 0.06438455653677987,
"volume": 372.7601973353646,
"volume_molar": 9.353393241995594,
"formula_full": "Ba4 Fe2 Co2 Cl2 F14",
"formula_reduced": "Ba2FeCoClF7",
"formula_anonymous": "ABCD2E7",
"energy_above_hull": 0.3060303654166665,
"spacegroup": 11
},
{
"id": "jvasp-117061",
"created_at": "2022-09-04T14:38:49.791086Z",
"updated_at": "2022-09-04T14:38:49.791107Z",
"structure_string": "Ba4 Fe2 Mo2 O12\n1.0\n5.634279 0.000270 0.000716\n-0.000380 7.969235 0.000203\n-0.000728 -0.000139 5.634286\nBa Fe Mo O\n4 2 2 12\ndirect\n-0.000007 0.250001 0.500012 Ba\n0.500007 0.750001 -0.000011 Ba\n0.499996 0.249999 0.000011 Ba\n0.000004 0.750000 0.499988 Ba\n0.500001 0.500000 0.500000 Fe\n-0.000001 -0.000000 -0.000000 Fe\n-0.000003 0.500001 -0.000000 Mo\n0.500007 -0.000000 0.500002 Mo\n0.752666 0.499990 0.752641 O\n0.252657 0.999992 0.252646 O\n0.247360 0.499982 0.752666 O\n0.747352 -0.000016 0.252659 O\n0.247334 0.500011 0.247360 O\n0.000013 0.747320 -0.000037 O\n0.499995 0.752681 0.500018 O\n-0.000011 0.252680 0.000036 O\n0.252647 0.000016 0.747343 O\n0.500004 0.247320 0.499982 O\n0.747342 0.000008 0.747353 O\n0.752640 0.500018 0.247335 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Mo",
"O"
],
"chemical_system": "Ba-Fe-Mo-O",
"density": 6.8583210438668685,
"density_atomic": 0.07905623301504726,
"volume": 252.98447999910744,
"volume_molar": 7.617540743250148,
"formula_full": "Ba4 Fe2 Mo2 O12",
"formula_reduced": "Ba2FeMoO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.555545434,
"spacegroup": 225
},
{
"id": "jvasp-34479",
"created_at": "2022-09-04T14:37:18.146629Z",
"updated_at": "2022-09-04T14:37:18.146649Z",
"structure_string": "Ba4 Fe2 S4 I5\n1.0\n4.878392 0.000000 1.285240\n2.439196 9.749879 0.642620\n-0.044707 0.000000 10.070788\nBa Fe S I\n4 2 4 5\ndirect\n0.056455 0.692367 0.194723 Ba\n0.251178 0.805277 0.692367 Ba\n0.748822 0.194723 0.307633 Ba\n0.943545 0.307633 0.805277 Ba\n0.250000 0.500000 0.500000 Fe\n0.750000 0.500000 0.500000 Fe\n0.902722 0.678065 0.516492 S\n0.419214 0.483508 0.678065 S\n0.097278 0.321935 0.483508 S\n0.580786 0.516492 0.321936 S\n0.295248 0.338249 0.071255 I\n0.366503 0.928746 0.338249 I\n0.704752 0.661751 0.928746 I\n0.000000 0.000000 0.000000 I\n0.633497 0.071255 0.661751 I\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"S",
"I"
],
"chemical_system": "Ba-Fe-I-S",
"density": 4.9299791719266475,
"density_atomic": 0.03127837997708397,
"volume": 479.56447907435467,
"volume_molar": 19.253365309878923,
"formula_full": "Ba4 Fe2 S4 I5",
"formula_reduced": "Ba4Fe2S4I5",
"formula_anonymous": "A2B4C4D5",
"energy_above_hull": 0.8764950836666667,
"spacegroup": 87
},
{
"id": "jvasp-89051",
"created_at": "2022-09-04T14:36:20.530974Z",
"updated_at": "2022-09-04T14:36:20.531011Z",
"structure_string": "Ba4 Fe4 Si16 O40\n1.0\n7.587738 0.000000 0.000000\n-0.000000 7.587738 -0.000000\n0.000000 0.000000 16.266417\nBa Fe Si O\n4 4 16 40\ndirect\n0.250000 0.750000 0.000000 Ba\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.000000 Ba\n0.750000 0.250000 0.500000 Ba\n0.250000 0.250000 0.089352 Fe\n0.750000 0.750000 0.410648 Fe\n0.750000 0.750000 0.910649 Fe\n0.250000 0.250000 0.589352 Fe\n0.935301 0.517375 0.653904 Si\n0.564699 0.982626 0.653904 Si\n0.017375 0.435301 0.846096 Si\n0.517375 0.564699 0.653904 Si\n0.982626 0.935301 0.653904 Si\n0.435301 0.482626 0.846096 Si\n0.064699 0.017375 0.846096 Si\n0.482626 0.064699 0.846096 Si\n0.435301 0.017375 0.346096 Si\n0.982626 0.564699 0.153904 Si\n0.482626 0.435301 0.346096 Si\n0.017375 0.064699 0.346096 Si\n0.935301 0.982626 0.153904 Si\n0.564699 0.517375 0.153904 Si\n0.517375 0.935301 0.153904 Si\n0.064699 0.482626 0.346096 Si\n0.501706 0.721428 0.136074 O\n0.998295 0.778572 0.136074 O\n0.221428 0.001706 0.363926 O\n0.721428 0.998295 0.136074 O\n0.778572 0.501706 0.136074 O\n0.498295 0.221428 0.363926 O\n0.278572 0.498295 0.363926 O\n0.998295 0.721428 0.636074 O\n0.026750 0.386110 0.589304 O\n0.471793 0.528208 0.750000 O\n0.473250 0.113890 0.589304 O\n0.886110 0.526750 0.910696 O\n0.386110 0.473250 0.589304 O\n0.113890 0.026750 0.589304 O\n0.973250 0.886110 0.910696 O\n0.526750 0.613890 0.910696 O\n0.613890 0.973250 0.910696 O\n0.973250 0.613890 0.410696 O\n0.526750 0.886110 0.410696 O\n0.113890 0.473250 0.089304 O\n0.613890 0.526750 0.410696 O\n0.886110 0.973250 0.410696 O\n0.026750 0.113890 0.089304 O\n0.028207 0.971793 0.750000 O\n0.473250 0.386110 0.089304 O\n0.386110 0.026750 0.089304 O\n0.501706 0.778572 0.636074 O\n0.221428 0.498295 0.863926 O\n0.721428 0.501706 0.636074 O\n0.778572 0.998295 0.636074 O\n0.001706 0.221428 0.863926 O\n0.498295 0.278572 0.863926 O\n0.278572 0.001706 0.863926 O\n0.471793 0.971793 0.250000 O\n0.528208 0.471793 0.250000 O\n0.971793 0.028207 0.250000 O\n0.028207 0.528208 0.250000 O\n0.528208 0.028207 0.750000 O\n0.001706 0.278572 0.363926 O\n0.971793 0.471793 0.750000 O\n",
"nsites": 64,
"nelements": 4,
"elements": [
"Ba",
"Fe",
"Si",
"O"
],
"chemical_system": "Ba-Fe-O-Si",
"density": 3.3015637168093437,
"density_atomic": 0.06833818172871135,
"volume": 936.5189178440093,
"volume_molar": 8.812263668217968,
"formula_full": "Ba4 Fe4 Si16 O40",
"formula_reduced": "BaFe(Si2O5)2",
"formula_anonymous": "ABC4D10",
"energy_above_hull": 2.934095679375,
"spacegroup": 130
},
{
"id": "jvasp-64171",
"created_at": "2022-09-04T14:36:14.999193Z",
"updated_at": "2022-09-04T14:36:14.999222Z",
"structure_string": "Ba4 Ga1 Bi1\n1.0\n-0.000000 5.005284 5.005284\n5.005284 -0.000000 5.005284\n5.005284 5.005284 -0.000000\nBa Ga Bi\n4 1 1\ndirect\n0.127460 0.624179 0.624179 Ba\n0.624179 0.624179 0.624179 Ba\n0.624179 0.127460 0.624179 Ba\n0.624179 0.624179 0.127460 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Bi"
],
"chemical_system": "Ba-Bi-Ga",
"density": 5.482381392122218,
"density_atomic": 0.02392407094016406,
"volume": 250.79343791474543,
"volume_molar": 25.171889746781964,
"formula_full": "Ba4 Ga1 Bi1",
"formula_reduced": "Ba4GaBi",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0344353233333333,
"spacegroup": 216
},
{
"id": "jvasp-64699",
"created_at": "2022-09-04T14:36:07.310453Z",
"updated_at": "2022-09-04T14:36:07.310481Z",
"structure_string": "Ba4 Ga1 Br1\n1.0\n0.000000 5.054454 5.054454\n5.054454 0.000000 5.054454\n5.054454 5.054454 -0.000000\nBa Ga Br\n4 1 1\ndirect\n0.124169 0.625277 0.625277 Ba\n0.625277 0.625277 0.625277 Ba\n0.625277 0.124169 0.625277 Ba\n0.625277 0.625277 0.124169 Ba\n0.000000 0.000000 0.000000 Ga\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ba",
"Ga",
"Br"
],
"chemical_system": "Ba-Br-Ga",
"density": 4.494000799308091,
"density_atomic": 0.02323263713936638,
"volume": 258.25738008163273,
"volume_molar": 25.921038252673544,
"formula_full": "Ba4 Ga1 Br1",
"formula_reduced": "Ba4GaBr",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
}
]
}