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=-id&page=262",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=260",
"results": [
{
"id": "jvasp-93470",
"created_at": "2022-09-04T14:36:14.733511Z",
"updated_at": "2022-09-04T14:36:14.733546Z",
"structure_string": "Ta2 S4\n1.0\n1.691226 2.929288 0.000000\n-1.691226 2.929288 0.000000\n-0.000000 1.952858 12.076694\nTa S\n2 4\ndirect\n0.082362 0.082362 0.752915 Ta\n0.917639 0.917639 0.247085 Ta\n0.208622 0.208622 0.374136 S\n0.791379 0.791379 0.625864 S\n0.373388 0.373388 0.879837 S\n0.626613 0.626613 0.120163 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 6.802075231974753,
"density_atomic": 0.050142902967682236,
"volume": 119.65801030441096,
"volume_molar": 12.009956351911555,
"formula_full": "Ta2 S4",
"formula_reduced": "TaS2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.7350097333333334,
"spacegroup": 166
},
{
"id": "jvasp-93468",
"created_at": "2022-09-04T14:36:12.858376Z",
"updated_at": "2022-09-04T14:36:12.858412Z",
"structure_string": "Tl4 Au2\n1.0\n-3.886161 3.886161 2.715270\n3.886161 -3.886161 2.715270\n3.886161 3.886161 -2.715270\nTl Au\n4 2\ndirect\n0.651935 0.151935 0.803871 Tl\n0.848064 0.651935 0.500000 Tl\n0.151935 0.348064 0.500000 Tl\n0.348065 0.848064 0.196129 Tl\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Tl",
"Au"
],
"chemical_system": "Au-Tl",
"density": 12.264387335803828,
"density_atomic": 0.03657940691220217,
"volume": 164.02671629972542,
"volume_molar": 16.46319956595888,
"formula_full": "Tl4 Au2",
"formula_reduced": "Tl2Au",
"formula_anonymous": "AB2",
"energy_above_hull": 0.0615152855555555,
"spacegroup": 140
},
{
"id": "jvasp-93461",
"created_at": "2022-09-04T14:36:07.424872Z",
"updated_at": "2022-09-04T14:36:07.424901Z",
"structure_string": "Ho2 I2 O2\n1.0\n1.947101 1.124159 10.639053\n-1.947101 1.124159 10.639053\n0.000000 -2.248318 10.639053\nHo I O\n2 2 2\ndirect\n0.377067 0.377067 0.377068 Ho\n0.622932 0.622932 0.622932 Ho\n0.111508 0.111508 0.111508 I\n0.888492 0.888492 0.888492 I\n0.306555 0.306555 0.306555 O\n0.693444 0.693444 0.693445 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Ho",
"I",
"O"
],
"chemical_system": "Ho-I-O",
"density": 7.316872754070496,
"density_atomic": 0.042941855480622904,
"volume": 139.72381800566214,
"volume_molar": 14.023941659245331,
"formula_full": "Ho2 I2 O2",
"formula_reduced": "HoIO",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0872217805555557,
"spacegroup": 166
},
{
"id": "jvasp-93460",
"created_at": "2022-09-04T14:36:05.226776Z",
"updated_at": "2022-09-04T14:36:05.226813Z",
"structure_string": "Mn2 O4\n1.0\n2.870767 0.000000 0.000000\n0.000000 4.525667 0.000002\n0.000000 0.000000 4.336739\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.828865 0.221051 O\n0.000000 0.328864 0.278946 O\n0.000000 0.671137 0.721053 O\n0.500000 0.171136 0.778948 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.124354215649246,
"density_atomic": 0.10648965603043299,
"volume": 56.3435006146071,
"volume_molar": 5.655141526871841,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0774847471264373,
"spacegroup": 58
},
{
"id": "jvasp-93459",
"created_at": "2022-09-04T14:36:02.600576Z",
"updated_at": "2022-09-04T14:36:02.600600Z",
"structure_string": "Mn2 O4\n1.0\n2.848228 0.000000 -0.000001\n-0.000001 5.867008 -0.000005\n-0.000001 -0.000003 3.779488\nMn O\n2 4\ndirect\n1.000000 0.960415 1.000002 Mn\n0.500001 0.289586 0.500002 Mn\n0.000000 0.041034 0.500000 O\n0.500001 0.208967 1.000001 O\n1.000001 0.477118 0.500001 O\n0.500001 0.772883 1.000000 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.571498332612588,
"density_atomic": 0.09500070925950495,
"volume": 63.15742321049768,
"volume_molar": 6.339048210208469,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.126221413793104,
"spacegroup": 59
},
{
"id": "jvasp-93458",
"created_at": "2022-09-04T14:36:00.437748Z",
"updated_at": "2022-09-04T14:36:00.437775Z",
"structure_string": "Fe2 O4\n1.0\n-0.601775 3.358478 1.432912\n3.411965 -0.000000 1.432912\n3.553032 0.168589 -3.681628\nFe O\n2 4\ndirect\n0.000000 0.000000 0.000000 Fe\n0.250000 0.250002 0.500000 Fe\n0.460541 0.039459 0.921082 O\n0.789460 0.210540 0.578920 O\n0.210542 0.789460 0.421083 O\n0.039461 0.460541 0.078920 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Fe",
"O"
],
"chemical_system": "Fe-O",
"density": 4.841607547730639,
"density_atomic": 0.0995750713215559,
"volume": 60.25604521662167,
"volume_molar": 6.047839765590339,
"formula_full": "Fe2 O4",
"formula_reduced": "FeO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0164408333333337,
"spacegroup": 141
},
{
"id": "jvasp-93457",
"created_at": "2022-09-04T14:35:57.446600Z",
"updated_at": "2022-09-04T14:35:57.446623Z",
"structure_string": "Mn2 O4\n1.0\n2.876103 0.000000 0.000000\n0.000000 4.440655 -0.000002\n0.000000 -0.000002 4.440655\nMn O\n2 4\ndirect\n0.000000 0.000000 0.000000 Mn\n0.499999 0.500001 0.500001 Mn\n0.000000 0.304742 0.304742 O\n0.499999 0.195259 0.804743 O\n0.000000 0.695260 0.695260 O\n0.499999 0.804743 0.195259 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 5.090781604322144,
"density_atomic": 0.10579198063919083,
"volume": 56.71507390019777,
"volume_molar": 5.692435970679886,
"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.0790014137931045,
"spacegroup": 136
},
{
"id": "jvasp-93455",
"created_at": "2022-09-04T14:35:54.875188Z",
"updated_at": "2022-09-04T14:35:54.875211Z",
"structure_string": "Nb1 Cr1 O4\n1.0\n3.065401 0.000000 0.000000\n0.000000 4.657612 -0.035423\n0.000000 -0.035423 4.657612\nNb Cr O\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 0.500000 Cr\n0.000000 0.692722 0.692722 O\n0.500000 0.798892 0.201108 O\n0.500000 0.201108 0.798892 O\n0.000000 0.307278 0.307278 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Nb",
"Cr",
"O"
],
"chemical_system": "Cr-Nb-O",
"density": 5.216736684509303,
"density_atomic": 0.09023239043133177,
"volume": 66.49496894982619,
"volume_molar": 6.674034380794711,
"formula_full": "Nb1 Cr1 O4",
"formula_reduced": "NbCrO4",
"formula_anonymous": "ABC4",
"energy_above_hull": 3.2738151333333336,
"spacegroup": 65
},
{
"id": "jvasp-93454",
"created_at": "2022-09-04T14:35:53.111107Z",
"updated_at": "2022-09-04T14:35:53.111133Z",
"structure_string": "Cu2 S4\n1.0\n3.278522 1.056793 1.298732\n-2.810147 3.582920 4.218089\n-0.789730 -2.491141 4.202583\nCu S\n2 4\ndirect\n0.535993 0.958108 0.291912 Cu\n0.035953 0.458092 0.791882 Cu\n0.534766 0.381998 0.140796 S\n0.034794 0.881997 0.640808 S\n0.537212 0.534228 0.443215 S\n0.037237 0.034225 0.943226 S\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cu",
"S"
],
"chemical_system": "Cu-S",
"density": 4.017511157765405,
"density_atomic": 0.05684862708409124,
"volume": 105.5434459503256,
"volume_molar": 10.593291463471878,
"formula_full": "Cu2 S4",
"formula_reduced": "CuS2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.9450701500000002,
"spacegroup": 166
},
{
"id": "jvasp-93451",
"created_at": "2022-09-04T14:35:51.066495Z",
"updated_at": "2022-09-04T14:35:51.066519Z",
"structure_string": "K1 B1 F4\n1.0\n3.997366 -1.320643 2.667486\n0.241286 4.208262 2.652312\n-0.168941 -0.099389 5.114416\nK B F\n1 1 4\ndirect\n0.358925 0.221802 0.614104 K\n0.859020 0.722025 0.613594 B\n0.582891 0.692029 0.925793 F\n0.135278 0.751890 0.619453 F\n0.829545 0.445688 0.607412 F\n0.888349 -0.001432 0.301644 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"K",
"B",
"F"
],
"chemical_system": "B-F-K",
"density": 2.2938512810725165,
"density_atomic": 0.0658311789363088,
"volume": 91.14222313723043,
"volume_molar": 9.14785494852884,
"formula_full": "K1 B1 F4",
"formula_reduced": "KBF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0286469522222221,
"spacegroup": 121
},
{
"id": "jvasp-93450",
"created_at": "2022-09-04T14:35:48.764311Z",
"updated_at": "2022-09-04T14:35:48.764333Z",
"structure_string": "Cr2 Cl4\n1.0\n0.000000 0.000000 -3.592874\n0.000000 -5.808651 0.000000\n-6.190166 -0.000000 0.000000\nCr Cl\n2 4\ndirect\n0.499999 0.500000 0.500000 Cr\n0.000000 0.000000 0.000000 Cr\n0.499999 0.777155 0.164531 Cl\n0.499999 0.222845 0.835469 Cl\n0.000000 0.722845 0.664532 Cl\n0.000000 0.277155 0.335469 Cl\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Cr",
"Cl"
],
"chemical_system": "Cl-Cr",
"density": 3.1595034257030714,
"density_atomic": 0.046444221135020676,
"volume": 129.18722401560044,
"volume_molar": 12.966394123593306,
"formula_full": "Cr2 Cl4",
"formula_reduced": "CrCl2",
"formula_anonymous": "AB2",
"energy_above_hull": 1.1580518450000004,
"spacegroup": 58
},
{
"id": "jvasp-9345",
"created_at": "2022-09-04T14:37:30.771674Z",
"updated_at": "2022-09-04T14:37:30.771692Z",
"structure_string": "Ba2 Ti3 Al1 O8\n1.0\n3.958149 -0.000000 -0.000000\n0.000000 3.958149 -0.000000\n0.000000 0.000000 11.306076\nBa Ti Al O\n2 3 1 8\ndirect\n0.500000 0.500000 0.824375 Ba\n0.500000 0.500000 0.175635 Ba\n0.000000 0.000000 0.639226 Ti\n0.000000 0.000000 0.000003 Ti\n0.000000 0.000000 0.360778 Ti\n0.500000 0.500000 0.500006 Al\n0.500000 0.000000 0.615839 O\n0.000000 0.500000 0.615839 O\n0.000000 0.500000 0.000003 O\n0.000000 0.000000 0.812743 O\n0.500000 0.000000 0.384152 O\n0.000000 0.500000 0.384152 O\n0.000000 0.000000 0.187251 O\n0.500000 0.000000 0.000003 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Ba",
"Ti",
"Al",
"O"
],
"chemical_system": "Al-Ba-O-Ti",
"density": 5.373820403257351,
"density_atomic": 0.0790372566749971,
"volume": 177.131653968815,
"volume_molar": 7.619369666084404,
"formula_full": "Ba2 Ti3 Al1 O8",
"formula_reduced": "Ba2Ti3AlO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.6160291242857143,
"spacegroup": 123
}
]
}