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=spacegroup&page=1271",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=1269",
"results": [
{
"id": "jvasp-8567",
"created_at": "2022-09-04T14:37:06.301506Z",
"updated_at": "2022-09-04T14:37:06.301527Z",
"structure_string": "Li2 Fe1 Br4\n1.0\n3.777528 0.000000 0.000000\n0.000000 6.269085 -2.215650\n0.000000 -0.000361 6.649100\nLi Fe Br\n2 1 4\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Fe\n0.500000 0.239460 0.239460 Br\n0.500000 0.760541 0.760540 Br\n0.000000 0.242658 0.757342 Br\n0.000000 0.757343 0.242658 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Fe",
"Br"
],
"chemical_system": "Br-Fe-Li",
"density": 4.1059635235123455,
"density_atomic": 0.04445613048595546,
"volume": 157.45859847634364,
"volume_molar": 13.546254912812328,
"formula_full": "Li2 Fe1 Br4",
"formula_reduced": "Li2FeBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.5715959885714286,
"spacegroup": 65
},
{
"id": "jvasp-52321",
"created_at": "2022-09-04T14:37:06.437294Z",
"updated_at": "2022-09-04T14:37:06.437314Z",
"structure_string": "Nb3 O7 F1\n1.0\n3.272809 5.435170 0.000000\n-3.272809 5.435170 0.000000\n0.000000 0.000000 3.904398\nNb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.302030 0.302030 0.000000 Nb\n0.697970 0.697970 0.000000 Nb\n0.045275 0.662196 0.000000 O\n0.337804 0.954725 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314282 0.314282 0.500000 O\n0.685718 0.685718 0.500000 O\n0.954725 0.337804 0.000000 O\n0.662196 0.045275 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Nb",
"O",
"F"
],
"chemical_system": "F-Nb-O",
"density": 4.897916025705501,
"density_atomic": 0.07919081538571826,
"volume": 138.90499733361509,
"volume_molar": 7.604594965549589,
"formula_full": "Nb3 O7 F1",
"formula_reduced": "Nb3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.4013957256818177,
"spacegroup": 65
},
{
"id": "jvasp-8671",
"created_at": "2022-09-04T14:37:06.763369Z",
"updated_at": "2022-09-04T14:37:06.763393Z",
"structure_string": "Li2 Mn1 Br4\n1.0\n3.850156 0.000000 0.000000\n0.000000 6.296051 -2.262298\n0.000000 0.003652 6.690160\nLi Mn Br\n2 1 4\ndirect\n0.500001 0.500000 -0.000000 Li\n0.500001 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500001 0.243805 0.243805 Br\n0.500001 0.756194 0.756195 Br\n0.000000 0.245094 0.754905 Br\n0.000000 0.754905 0.245094 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.976494414500693,
"density_atomic": 0.04315486831976876,
"volume": 162.206496567929,
"volume_molar": 13.95471935026465,
"formula_full": "Li2 Mn1 Br4",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6804033801970444,
"spacegroup": 65
},
{
"id": "jvasp-49820",
"created_at": "2022-09-04T14:37:07.201576Z",
"updated_at": "2022-09-04T14:37:07.201586Z",
"structure_string": "Hf1 Zr1 O4\n1.0\n0.000000 4.869478 0.000015\n3.248809 0.000000 0.000000\n0.000000 -0.010279 -4.869477\nHf Zr O\n1 1 4\ndirect\n0.000138 0.000000 0.000400 Hf\n0.500140 0.500000 0.500401 Zr\n0.303682 0.000000 0.303948 O\n0.807092 0.500000 0.193408 O\n0.193149 0.500000 0.807359 O\n0.696585 0.000000 0.696845 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Hf",
"Zr",
"O"
],
"chemical_system": "Hf-O-Zr",
"density": 7.193355054083634,
"density_atomic": 0.07788652840474106,
"volume": 77.03514488180438,
"volume_molar": 7.731941432420326,
"formula_full": "Hf1 Zr1 O4",
"formula_reduced": "HfZrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.975703583333334,
"spacegroup": 65
},
{
"id": "jvasp-8679",
"created_at": "2022-09-04T14:37:06.958747Z",
"updated_at": "2022-09-04T14:37:06.958756Z",
"structure_string": "Li2 Mg1 Br4\n1.0\n3.849650 0.000000 0.000000\n0.000000 6.299723 -2.253718\n0.000000 -0.001601 6.690721\nLi Mg Br\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.242295 0.242295 Br\n0.500000 0.757706 0.757706 Br\n0.000000 0.244071 0.755928 Br\n0.000000 0.755928 0.244071 Br\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Br"
],
"chemical_system": "Br-Li-Mg",
"density": 3.661968747517875,
"density_atomic": 0.04314391965614091,
"volume": 162.24765982762653,
"volume_molar": 13.958260649465206,
"formula_full": "Li2 Mg1 Br4",
"formula_reduced": "Li2MgBr4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0,
"spacegroup": 65
},
{
"id": "jvasp-8570",
"created_at": "2022-09-04T14:37:07.203130Z",
"updated_at": "2022-09-04T14:37:07.203152Z",
"structure_string": "Li2 Co1 Cl4\n1.0\n3.532959 0.000000 0.000000\n0.000000 5.858232 -2.095750\n0.000000 -0.001617 6.221821\nLi Co Cl\n2 1 4\ndirect\n0.500000 0.500000 -0.000000 Li\n0.500000 -0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Co\n0.500000 0.234829 0.234829 Cl\n0.000000 0.240274 0.759725 Cl\n0.500000 0.765171 0.765171 Cl\n0.000000 0.759725 0.240275 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Li",
"Co",
"Cl"
],
"chemical_system": "Cl-Co-Li",
"density": 2.767907362334825,
"density_atomic": 0.05436454325681652,
"volume": 128.76039382750267,
"volume_molar": 11.077331656317945,
"formula_full": "Li2 Co1 Cl4",
"formula_reduced": "Li2CoCl4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.6342624528571429,
"spacegroup": 65
},
{
"id": "jvasp-52330",
"created_at": "2022-09-04T14:37:08.059161Z",
"updated_at": "2022-09-04T14:37:08.059194Z",
"structure_string": "Sb3 O7 F1\n1.0\n3.240422 5.485899 0.000000\n-3.240422 5.485899 0.000000\n0.000000 0.000000 3.828571\nSb O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Sb\n0.304516 0.304516 0.000000 Sb\n0.695484 0.695484 0.000000 Sb\n0.043415 0.662912 0.000000 O\n0.337088 0.956586 0.000000 O\n0.000000 0.000000 0.500000 O\n0.321799 0.321799 0.500000 O\n0.678201 0.678201 0.500000 O\n0.662912 0.043415 0.000000 O\n0.956586 0.337088 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Sb",
"O",
"F"
],
"chemical_system": "F-O-Sb",
"density": 6.0541714747607145,
"density_atomic": 0.08081213942224877,
"volume": 136.11816341755627,
"volume_molar": 7.452024909938241,
"formula_full": "Sb3 O7 F1",
"formula_reduced": "Sb3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 2.2429457347727277,
"spacegroup": 65
},
{
"id": "jvasp-43461",
"created_at": "2022-09-04T14:37:08.198306Z",
"updated_at": "2022-09-04T14:37:08.198337Z",
"structure_string": "Li1 V3 O4\n1.0\n2.921716 0.000665 0.000969\n-0.001249 5.124494 0.029988\n-0.001309 -1.640121 4.855124\nLi V O\n1 3 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n-0.000000 0.500000 0.500000 V\n0.999975 0.753002 0.253001 O\n0.500000 0.744450 0.755552 O\n0.000026 0.246998 0.746999 O\n0.500000 0.255551 0.244448 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 5.101413118466559,
"density_atomic": 0.10983554620018349,
"volume": 72.83616531044879,
"volume_molar": 5.482870498976897,
"formula_full": "Li1 V3 O4",
"formula_reduced": "LiV3O4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 3.134524575,
"spacegroup": 65
},
{
"id": "jvasp-50802",
"created_at": "2022-09-04T14:37:08.270596Z",
"updated_at": "2022-09-04T14:37:08.270623Z",
"structure_string": "Ta3 O7 F1\n1.0\n3.244634 5.395830 0.000000\n-3.244634 5.395830 0.000000\n0.000000 0.000000 3.875997\nTa O F\n3 7 1\ndirect\n0.000000 0.000000 0.000000 Ta\n0.302188 0.302188 0.000000 Ta\n0.697812 0.697812 0.000000 Ta\n0.045295 0.662253 0.000000 O\n0.337747 0.954705 0.000000 O\n0.000000 0.000000 0.500000 O\n0.314191 0.314191 0.500000 O\n0.685809 0.685809 0.500000 O\n0.954705 0.337747 0.000000 O\n0.662253 0.045295 0.000000 O\n0.500000 0.500000 0.000000 F\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Ta",
"O",
"F"
],
"chemical_system": "F-O-Ta",
"density": 8.244552616047724,
"density_atomic": 0.08105042268371952,
"volume": 135.71798438269656,
"volume_molar": 7.43011641469164,
"formula_full": "Ta3 O7 F1",
"formula_reduced": "Ta3O7F",
"formula_anonymous": "AB3C7",
"energy_above_hull": 3.774667489318181,
"spacegroup": 65
},
{
"id": "jvasp-78579",
"created_at": "2022-09-04T14:37:09.440028Z",
"updated_at": "2022-09-04T14:37:09.440061Z",
"structure_string": "Be1 F2\n1.0\n0.000000 0.000000 -2.406243\n-0.867913 -3.680269 0.000000\n-2.753250 4.768768 0.000000\nBe F\n1 2\ndirect\n0.000000 0.000000 0.000000 Be\n0.499999 0.576893 0.788446 F\n0.499999 0.423106 0.211554 F\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Be",
"F"
],
"chemical_system": "Be-F",
"density": 2.273100167033221,
"density_atomic": 0.08735943681049839,
"volume": 34.340880728291005,
"volume_molar": 6.893520585604658,
"formula_full": "Be1 F2",
"formula_reduced": "BeF2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1533066666666664,
"spacegroup": 65
},
{
"id": "jvasp-36233",
"created_at": "2022-09-04T14:37:09.700494Z",
"updated_at": "2022-09-04T14:37:09.700520Z",
"structure_string": "Sr1 B2\n1.0\n3.293703 0.054748 0.000000\n-1.599438 2.879804 0.000000\n0.000000 0.000000 4.405819\nSr B\n1 2\ndirect\n0.000059 0.000059 0.000000 Sr\n0.656197 0.343843 0.500000 B\n0.343842 0.656197 0.500000 B\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Sr",
"B"
],
"chemical_system": "B-Sr",
"density": 4.301042943790242,
"density_atomic": 0.07113057074548416,
"volume": 42.175958502209255,
"volume_molar": 8.466318626274097,
"formula_full": "Sr1 B2",
"formula_reduced": "SrB2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.5003638255555565,
"spacegroup": 65
},
{
"id": "jvasp-8783",
"created_at": "2022-09-04T14:37:09.999416Z",
"updated_at": "2022-09-04T14:37:09.999440Z",
"structure_string": "Cr1 Sb1 O4\n1.0\n3.125972 0.000000 0.000000\n0.000000 4.606976 -0.051950\n0.000000 -0.051950 4.606976\nCr Sb O\n1 1 4\ndirect\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Sb\n0.000000 0.691376 0.691376 O\n0.500000 0.197341 0.802660 O\n0.500000 0.802660 0.197341 O\n0.000000 0.308625 0.308625 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Cr",
"Sb",
"O"
],
"chemical_system": "Cr-O-Sb",
"density": 5.951338126199186,
"density_atomic": 0.09044602692293315,
"volume": 66.33790564523585,
"volume_molar": 6.6582700919868145,
"formula_full": "Cr1 Sb1 O4",
"formula_reduced": "CrSbO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 2.6695312500000004,
"spacegroup": 65
}
]
}