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=493",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=491",
"results": [
{
"id": "jvasp-46191",
"created_at": "2022-09-04T14:38:04.729615Z",
"updated_at": "2022-09-04T14:38:04.729640Z",
"structure_string": "Li4 Fe2 B2 O8\n1.0\n3.469542 3.634607 -0.038444\n-3.469542 3.634607 0.038444\n-0.067435 0.000000 6.068910\nLi Fe B O\n4 2 2 8\ndirect\n0.323305 0.676696 0.716291 Li\n0.176545 0.176545 0.500000 Li\n0.823456 0.823455 0.500000 Li\n0.676696 0.323305 0.283709 Li\n0.195232 0.195232 -0.000000 Fe\n0.804769 0.804769 0.000000 Fe\n0.318141 0.681859 0.256486 B\n0.681860 0.318141 0.743514 B\n0.199108 0.800893 0.029713 O\n0.198697 0.801304 0.437681 O\n0.614977 0.717231 0.245950 O\n0.282770 0.385024 0.245950 O\n0.385025 0.282769 0.754050 O\n0.717232 0.614976 0.754050 O\n0.801305 0.198696 0.562319 O\n0.800894 0.199107 0.970287 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.1364408105126076,
"density_atomic": 0.10454497329567376,
"volume": 153.04418276284648,
"volume_molar": 5.76033506935642,
"formula_full": "Li4 Fe2 B2 O8",
"formula_reduced": "Li2FeBO4",
"formula_anonymous": "ABC2D4",
"energy_above_hull": 2.5007377604166665,
"spacegroup": 12
},
{
"id": "jvasp-30436",
"created_at": "2022-09-04T14:38:04.712492Z",
"updated_at": "2022-09-04T14:38:04.712514Z",
"structure_string": "Co5 Sn1 O12\n1.0\n2.499401 4.341570 0.481802\n-2.527688 4.345391 0.240900\n0.419411 0.728533 8.678476\nCo Sn O\n5 1 12\ndirect\n0.166567 0.666863 0.500000 Co\n0.666668 0.666663 -0.000000 Co\n0.333331 0.333337 -0.000000 Co\n0.833431 0.333138 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Sn\n0.038144 0.363707 0.884890 O\n0.325580 0.000000 0.115100 O\n0.598147 0.363708 0.115111 O\n0.799337 0.667042 0.602563 O\n0.131147 -0.000000 0.605929 O\n0.200661 0.332958 0.397437 O\n0.533618 0.667042 0.397437 O\n0.674419 -0.000000 0.884900 O\n0.401851 0.636293 0.884890 O\n0.961855 0.636293 0.115111 O\n0.466380 0.332958 0.602563 O\n0.868852 0.000000 0.394071 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Sn",
"O"
],
"chemical_system": "Co-O-Sn",
"density": 5.354724211340146,
"density_atomic": 0.09588275394129066,
"volume": 187.72927622647825,
"volume_molar": 6.280734034493187,
"formula_full": "Co5 Sn1 O12",
"formula_reduced": "Co5SnO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.1388649,
"spacegroup": 12
},
{
"id": "jvasp-29268",
"created_at": "2022-09-04T14:38:04.996813Z",
"updated_at": "2022-09-04T14:38:04.996829Z",
"structure_string": "Sc5 N1 Cl8\n1.0\n3.434631 -0.000000 0.654715\n1.510596 8.776044 1.411806\n-0.018069 0.024633 9.431189\nSc N Cl\n5 1 8\ndirect\n0.840491 0.645751 0.673267 Sc\n0.159510 0.354248 0.326733 Sc\n0.486751 0.636454 0.390046 Sc\n0.513250 0.363545 0.609954 Sc\n0.000000 0.000000 0.000000 Sc\n0.000001 0.500000 0.500000 N\n0.033006 0.175331 0.758657 Cl\n0.966995 0.824668 0.241343 Cl\n0.330981 0.501612 0.836426 Cl\n0.669020 0.498387 0.163574 Cl\n0.701948 0.163250 0.432856 Cl\n0.298053 0.836749 0.567144 Cl\n0.366563 0.165510 0.101366 Cl\n0.633439 0.834489 0.898634 Cl\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Sc",
"N",
"Cl"
],
"chemical_system": "Cl-N-Sc",
"density": 3.0514209405209765,
"density_atomic": 0.04924581879278368,
"volume": 284.28809477022065,
"volume_molar": 12.228735164989203,
"formula_full": "Sc5 N1 Cl8",
"formula_reduced": "Sc5NCl8",
"formula_anonymous": "AB5C8",
"energy_above_hull": 1.52603586,
"spacegroup": 12
},
{
"id": "jvasp-109909",
"created_at": "2022-09-04T14:38:11.770351Z",
"updated_at": "2022-09-04T14:38:11.770371Z",
"structure_string": "Hg1 Pt1 O2\n1.0\n3.183365 -0.020604 -0.242052\n1.591225 2.757216 -0.242052\n-0.616678 -0.353456 7.573776\nHg Pt O\n1 1 2\ndirect\n0.499998 0.500001 0.500000 Hg\n0.000000 0.000000 0.000000 Pt\n0.634665 0.634669 0.873302 O\n0.365330 0.365333 0.126699 O\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hg",
"Pt",
"O"
],
"chemical_system": "Hg-O-Pt",
"density": 10.731788044187601,
"density_atomic": 0.060446526625885025,
"volume": 66.1741910293168,
"volume_molar": 9.962757326441878,
"formula_full": "Hg1 Pt1 O2",
"formula_reduced": "HgPtO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.34114575,
"spacegroup": 12
},
{
"id": "jvasp-29359",
"created_at": "2022-09-04T14:38:04.936229Z",
"updated_at": "2022-09-04T14:38:04.936264Z",
"structure_string": "Ga6 Te6\n1.0\n4.143339 -0.000000 0.000000\n-2.071669 8.511869 -2.169861\n0.000000 0.042521 10.574111\nGa Te\n6 6\ndirect\n0.136313 0.272626 0.417943 Ga\n0.863687 0.727374 0.582057 Ga\n0.240032 0.480065 0.299464 Ga\n0.759968 0.519935 0.700536 Ga\n0.563064 0.126129 0.082001 Ga\n0.436936 0.873871 0.917999 Ga\n0.156608 0.313216 0.049240 Te\n0.843392 0.686784 0.950760 Te\n0.158845 0.317690 0.678038 Te\n0.841155 0.682310 0.321962 Te\n0.538928 0.077857 0.327556 Te\n0.461072 0.922143 0.672444 Te\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Ga",
"Te"
],
"chemical_system": "Ga-Te",
"density": 5.266399803379861,
"density_atomic": 0.03214526530140924,
"volume": 373.30536511309873,
"volume_molar": 18.734145459785616,
"formula_full": "Ga6 Te6",
"formula_reduced": "GaTe",
"formula_anonymous": "AB",
"energy_above_hull": 0.0486225888888889,
"spacegroup": 12
},
{
"id": "jvasp-45900",
"created_at": "2022-09-04T14:38:05.142701Z",
"updated_at": "2022-09-04T14:38:05.142715Z",
"structure_string": "Li2 Fe1 C2 O6\n1.0\n4.941055 0.154657 0.201127\n-2.673726 -1.213924 -4.469202\n-2.295463 5.419934 -0.099010\nLi Fe C O\n2 1 2 6\ndirect\n0.500001 0.499999 0.500000 Li\n0.500003 0.000000 0.499999 Li\n0.000001 0.000000 -0.000001 Fe\n0.155965 0.577982 0.760116 C\n0.844038 0.422018 0.239883 C\n0.001139 0.710151 0.757663 O\n0.001124 0.290989 0.757663 O\n0.457373 0.728673 0.740557 O\n0.542631 0.271328 0.259442 O\n0.998881 0.709010 0.242336 O\n0.998864 0.289849 0.242336 O\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"Fe",
"C",
"O"
],
"chemical_system": "C-Fe-Li-O",
"density": 2.6622488573480902,
"density_atomic": 0.09294421295816176,
"volume": 118.35056374033292,
"volume_molar": 6.479306853360336,
"formula_full": "Li2 Fe1 C2 O6",
"formula_reduced": "Li2Fe(CO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.3073460454545454,
"spacegroup": 12
},
{
"id": "jvasp-17299",
"created_at": "2022-09-04T14:38:04.982036Z",
"updated_at": "2022-09-04T14:38:04.982057Z",
"structure_string": "Ba2 As6\n1.0\n5.786840 -0.009081 1.926418\n1.590682 6.028132 1.697839\n-0.004595 -0.002658 6.461523\nBa As\n2 6\ndirect\n0.336828 0.835363 0.835363 Ba\n0.663173 0.164636 0.164637 Ba\n0.185061 0.906735 0.371163 As\n0.814939 0.628837 0.093265 As\n0.206525 0.502013 0.502013 As\n0.793476 0.497987 0.497987 As\n0.185062 0.371163 0.906735 As\n0.814940 0.093264 0.628837 As\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ba",
"As"
],
"chemical_system": "As-Ba",
"density": 5.331155706372936,
"density_atomic": 0.03546611117771774,
"volume": 225.56744267542228,
"volume_molar": 16.9799861333078,
"formula_full": "Ba2 As6",
"formula_reduced": "BaAs3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.505747805,
"spacegroup": 12
},
{
"id": "jvasp-30333",
"created_at": "2022-09-04T14:38:05.150628Z",
"updated_at": "2022-09-04T14:38:05.150651Z",
"structure_string": "Mn5 Co1 O12\n1.0\n2.469125 4.288980 -0.458940\n-2.496006 4.292144 -0.229470\n-0.404543 -0.702709 8.960788\nMn Co O\n5 1 12\ndirect\n0.166661 0.666678 0.500000 Mn\n0.666665 0.666669 -0.000000 Mn\n0.333334 0.333331 -0.000000 Mn\n0.833340 0.333321 0.500000 Mn\n0.500001 -0.000001 0.500000 Mn\n0.000000 0.000000 0.000000 Co\n-0.034996 0.330827 0.893669 O\n0.365814 -0.000000 0.106327 O\n0.704168 0.330827 0.106332 O\n0.868907 0.666558 0.608136 O\n0.202342 -0.000001 0.608118 O\n0.131093 0.333441 0.391864 O\n0.464534 0.666559 0.391864 O\n0.634187 -0.000001 0.893673 O\n0.295832 0.669172 0.893669 O\n0.034995 0.669172 0.106332 O\n0.535466 0.333440 0.608136 O\n0.797659 -0.000001 0.391882 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Mn-O",
"density": 4.61091711333135,
"density_atomic": 0.09509155828141352,
"volume": 189.2912507199733,
"volume_molar": 6.332991980400725,
"formula_full": "Mn5 Co1 O12",
"formula_reduced": "Mn5CoO12",
"formula_anonymous": "AB5C12",
"energy_above_hull": 3.639426617049808,
"spacegroup": 12
},
{
"id": "jvasp-77462",
"created_at": "2022-09-04T14:38:05.162918Z",
"updated_at": "2022-09-04T14:38:05.162943Z",
"structure_string": "Li2 Rh1 Au1\n1.0\n-10.363713 1.835365 -2.870753\n-7.257002 0.888875 0.366043\n-6.417982 3.348580 -1.094152\nLi Rh Au\n2 1 1\ndirect\n0.734801 0.013315 0.013342 Li\n0.265200 0.986686 0.986654 Li\n0.000002 0.999999 -0.000002 Rh\n0.500002 1.000000 -0.000003 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Rh",
"Au"
],
"chemical_system": "Au-Li-Rh",
"density": 9.095439745656924,
"density_atomic": 0.06983051230659683,
"volume": 57.281550254674606,
"volume_molar": 8.623938964616608,
"formula_full": "Li2 Rh1 Au1",
"formula_reduced": "Li2RhAu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.0870576425000005,
"spacegroup": 12
},
{
"id": "jvasp-44137",
"created_at": "2022-09-04T14:38:11.780813Z",
"updated_at": "2022-09-04T14:38:11.780835Z",
"structure_string": "Mn8 O4 F12\n1.0\n-4.831963 4.831963 6.407928\n-0.028304 4.750535 -3.163624\n-4.750535 0.028304 -3.163624\nMn O F\n8 4 12\ndirect\n0.883904 0.647073 0.647073 Mn\n0.606990 0.887578 0.887578 Mn\n0.767585 0.258116 0.258116 Mn\n0.500000 0.499999 0.499999 Mn\n0.232415 0.741881 0.741881 Mn\n0.393010 0.112420 0.112420 Mn\n0.116095 0.352925 0.352925 Mn\n0.000000 0.000000 0.000000 Mn\n0.024916 0.792167 0.792167 O\n0.500000 0.805962 0.194035 O\n0.500000 0.194035 0.805962 O\n0.975084 0.207830 0.207830 O\n-0.000000 0.693285 0.306713 F\n0.733209 0.575842 0.957388 F\n0.733209 0.957388 0.575842 F\n0.457937 0.719716 0.719716 F\n0.733498 0.489041 0.489041 F\n0.221352 0.974264 0.974264 F\n0.778648 0.025734 0.025734 F\n0.266502 0.510957 0.510957 F\n0.542062 0.280282 0.280282 F\n-0.000000 0.306713 0.693285 F\n0.266791 0.042610 0.424156 F\n0.266791 0.424156 0.042610 F\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.2032634366515,
"density_atomic": 0.08305095610502332,
"volume": 288.9792137931614,
"volume_molar": 7.251139592402297,
"formula_full": "Mn8 O4 F12",
"formula_reduced": "Mn2OF3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 1.555783138376437,
"spacegroup": 12
},
{
"id": "jvasp-46254",
"created_at": "2022-09-04T14:38:05.252194Z",
"updated_at": "2022-09-04T14:38:05.252219Z",
"structure_string": "Li4 Cr2 O6\n1.0\n2.486201 4.292841 -0.001157\n-2.486201 4.292841 0.001157\n-1.688325 0.000000 4.727565\nLi Cr O\n4 2 6\ndirect\n0.499999 0.500001 0.499999 Li\n0.839881 0.839882 0.499999 Li\n0.160117 0.160119 0.499999 Li\n0.000000 0.000000 0.000000 Li\n0.332739 0.332739 -0.000000 Cr\n0.667261 0.667261 -0.000000 Cr\n0.279856 0.720144 0.769352 O\n0.076429 0.566055 0.225954 O\n0.433945 0.923571 0.225954 O\n0.923570 0.433946 0.774045 O\n0.566054 0.076430 0.774045 O\n0.720142 0.279857 0.230647 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cr",
"O"
],
"chemical_system": "Cr-Li-O",
"density": 3.7483149905031246,
"density_atomic": 0.11893368765983045,
"volume": 100.89656039525099,
"volume_molar": 5.063444074167022,
"formula_full": "Li4 Cr2 O6",
"formula_reduced": "Li2CrO3",
"formula_anonymous": "AB2C3",
"energy_above_hull": 2.1045863166666674,
"spacegroup": 12
},
{
"id": "jvasp-30438",
"created_at": "2022-09-04T14:38:05.288454Z",
"updated_at": "2022-09-04T14:38:05.288479Z",
"structure_string": "Sb4 S4 O2\n1.0\n4.080254 0.003675 -0.006750\n-2.050369 10.529085 -0.031492\n-2.029458 -1.717796 5.240102\nSb S O\n4 4 2\ndirect\n0.333452 0.634138 0.030849 Sb\n0.671928 0.366081 0.975952 Sb\n0.268718 0.881874 0.654052 Sb\n0.736667 0.118343 0.352748 Sb\n0.072361 0.913934 0.228952 S\n0.933021 0.086284 0.777851 S\n0.607881 0.699604 0.514395 S\n0.397501 0.300615 0.492405 S\n0.817280 0.570506 0.062189 O\n0.188098 0.429710 0.944613 O\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sb",
"S",
"O"
],
"chemical_system": "O-S-Sb",
"density": 4.78200650797505,
"density_atomic": 0.04448937077623774,
"volume": 224.77279011869302,
"volume_molar": 13.536133811127065,
"formula_full": "Sb4 S4 O2",
"formula_reduced": "Sb2S2O",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.86647714,
"spacegroup": 12
}
]
}