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=539",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=id&page=537",
"results": [
{
"id": "jvasp-109354",
"created_at": "2022-09-04T14:37:56.195009Z",
"updated_at": "2022-09-04T14:37:56.195036Z",
"structure_string": "Ti1 Cu1 Ni2\n1.0\n3.060836 0.000000 0.000000\n0.000000 3.060836 0.000000\n0.000000 0.000000 5.220124\nTi Cu Ni\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ti\n0.000000 0.000000 0.000000 Cu\n0.500001 0.500001 0.754728 Ni\n0.500001 0.500001 0.245271 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Cu",
"Ni"
],
"chemical_system": "Cu-Ni-Ti",
"density": 7.768618544053444,
"density_atomic": 0.08178978198268277,
"volume": 48.905864559547474,
"volume_molar": 7.362950009177257,
"formula_full": "Ti1 Cu1 Ni2",
"formula_reduced": "TiCuNi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.2853458958333333,
"spacegroup": 123
},
{
"id": "jvasp-109355",
"created_at": "2022-09-04T14:38:19.137269Z",
"updated_at": "2022-09-04T14:38:19.137295Z",
"structure_string": "Ti4 V1\n1.0\n11.463961 -0.022498 1.886033\n11.169903 2.545830 0.885217\n0.007697 -0.067229 2.771251\nTi V\n4 1\ndirect\n0.408464 0.408463 0.591536 Ti\n0.801372 0.801371 0.198628 Ti\n0.198629 0.198628 0.801371 Ti\n0.591537 0.591536 0.408463 Ti\n0.000000 0.000000 0.000000 V\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Ti",
"V"
],
"chemical_system": "Ti-V",
"density": 4.981502186662133,
"density_atomic": 0.061877334375703676,
"volume": 80.80503225367228,
"volume_molar": 9.732385566959088,
"formula_full": "Ti4 V1",
"formula_reduced": "Ti4V",
"formula_anonymous": "AB4",
"energy_above_hull": 4.210081506666668,
"spacegroup": 69
},
{
"id": "jvasp-109357",
"created_at": "2022-09-04T14:38:03.042188Z",
"updated_at": "2022-09-04T14:38:03.042217Z",
"structure_string": "Sr1 Pr1 Mn1 O4\n1.0\n3.672986 -0.029491 -5.794793\n-0.334218 3.657868 -5.794793\n0.027137 0.029491 6.860737\nSr Pr Mn O\n1 1 1 4\ndirect\n0.642604 0.642604 0.000001 Sr\n0.359777 0.359777 0.000001 Pr\n0.003127 0.003127 0.000000 Mn\n0.834899 0.834899 0.000002 O\n0.172131 0.172131 0.000000 O\n0.993732 0.493731 0.500002 O\n0.493731 0.993732 0.500002 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Pr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Pr-Sr",
"density": 6.1792581974396015,
"density_atomic": 0.07496807358934839,
"volume": 93.3730808976606,
"volume_molar": 8.032940519436847,
"formula_full": "Sr1 Pr1 Mn1 O4",
"formula_reduced": "SrPrMnO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.033845343054187,
"spacegroup": 107
},
{
"id": "jvasp-109358",
"created_at": "2022-09-04T14:38:19.194017Z",
"updated_at": "2022-09-04T14:38:19.194040Z",
"structure_string": "Ta3 Ti1 B4\n1.0\n3.131948 -0.000000 0.000000\n0.000000 3.286703 0.000000\n-0.000000 -0.000000 8.687110\nTa Ti B\n3 1 4\ndirect\n-0.000000 0.500000 0.645824 Ta\n0.500000 0.500000 0.349785 Ta\n0.500000 0.000000 0.856936 Ta\n0.000000 0.000000 0.145358 Ti\n0.000000 0.000000 0.438109 B\n-0.000000 0.500000 0.945494 B\n0.500000 0.500000 0.061219 B\n0.500000 0.000000 0.557276 B\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ta",
"Ti",
"B"
],
"chemical_system": "B-Ta-Ti",
"density": 11.772181722270473,
"density_atomic": 0.08946221819064072,
"volume": 89.42322425934367,
"volume_molar": 6.731490546285179,
"formula_full": "Ta3 Ti1 B4",
"formula_reduced": "Ta3TiB4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 5.997393283333333,
"spacegroup": 25
},
{
"id": "jvasp-10936",
"created_at": "2022-09-04T14:37:27.491114Z",
"updated_at": "2022-09-04T14:37:27.491140Z",
"structure_string": "Co2 Si4 O12\n1.0\n5.282856 0.029188 0.027630\n1.640624 6.078427 0.010410\n1.641156 0.242817 6.073447\nCo Si O\n2 4 12\ndirect\n0.753695 0.585855 0.915131 Co\n0.253694 0.415841 0.085144 Co\n0.755180 0.106713 0.789862 Si\n0.252227 0.894985 0.210410 Si\n0.752219 0.711126 0.394274 Si\n0.255170 0.290575 0.606003 Si\n0.049018 0.132572 0.645930 O\n0.958406 0.869097 0.354364 O\n0.639695 0.310830 0.971495 O\n0.718773 0.582839 0.633920 O\n0.139689 0.472207 0.810121 O\n0.867696 0.529494 0.190155 O\n0.549002 0.146635 0.631882 O\n0.367700 0.690865 0.028782 O\n0.788606 0.867069 0.918150 O\n0.458388 0.855072 0.368404 O\n0.218748 0.134637 0.082142 O\n0.288631 0.418842 0.366351 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Co",
"Si",
"O"
],
"chemical_system": "Co-O-Si",
"density": 3.6052942226132396,
"density_atomic": 0.0925645442523044,
"volume": 194.4589058952979,
"volume_molar": 6.505882796317098,
"formula_full": "Co2 Si4 O12",
"formula_reduced": "Co(SiO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 2.921987677777778,
"spacegroup": 15
},
{
"id": "jvasp-109363",
"created_at": "2022-09-04T14:38:10.557860Z",
"updated_at": "2022-09-04T14:38:10.557880Z",
"structure_string": "Sn1 Se1 S1\n1.0\n3.800975 0.000000 0.000000\n-1.900487 3.291741 0.000000\n-0.000000 -0.000000 6.026186\nSn Se S\n1 1 1\ndirect\n0.333332 0.666666 0.008087 Sn\n0.000000 0.000000 0.739691 Se\n0.666665 0.333333 0.252224 S\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Sn",
"Se",
"S"
],
"chemical_system": "S-Se-Sn",
"density": 5.0595636071088075,
"density_atomic": 0.0397885445013326,
"volume": 75.39858614078038,
"volume_molar": 15.135363294825488,
"formula_full": "Sn1 Se1 S1",
"formula_reduced": "SnSeS",
"formula_anonymous": "ABC",
"energy_above_hull": 0.9684116888888892,
"spacegroup": 156
},
{
"id": "jvasp-109364",
"created_at": "2022-09-04T14:38:16.231643Z",
"updated_at": "2022-09-04T14:38:16.231671Z",
"structure_string": "Sn2 Sb2 Pt2\n1.0\n3.981134 -0.000000 0.000000\n0.000000 5.502018 0.151082\n0.000000 -0.001795 6.705414\nSn Sb Pt\n2 2 2\ndirect\n-0.000000 0.789977 0.637392 Sn\n-0.000000 0.210022 0.362607 Sn\n0.499999 0.294018 0.866342 Sb\n0.499999 0.705982 0.133657 Sb\n0.499999 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Sn",
"Sb",
"Pt"
],
"chemical_system": "Pt-Sb-Sn",
"density": 9.848350756616734,
"density_atomic": 0.040850150289535245,
"volume": 146.87828459561496,
"volume_molar": 14.742028407035548,
"formula_full": "Sn2 Sb2 Pt2",
"formula_reduced": "SnSbPt",
"formula_anonymous": "ABC",
"energy_above_hull": 1.2316197333333334,
"spacegroup": 10
},
{
"id": "jvasp-109365",
"created_at": "2022-09-04T14:38:20.480281Z",
"updated_at": "2022-09-04T14:38:20.480306Z",
"structure_string": "Sm1 Zn1 Ag1 As2\n1.0\n4.293543 -0.000000 0.000000\n-2.146771 3.718318 0.000000\n0.000000 0.000000 6.921149\nSm Zn Ag As\n1 1 1 2\ndirect\n0.000000 0.000000 0.985545 Sm\n0.666666 0.333334 0.375923 Zn\n0.333333 0.666667 0.635171 Ag\n0.333333 0.666667 0.242976 As\n0.666666 0.333334 0.760385 As\n",
"nsites": 5,
"nelements": 4,
"elements": [
"Sm",
"Zn",
"Ag",
"As"
],
"chemical_system": "Ag-As-Sm-Zn",
"density": 7.115584143387511,
"density_atomic": 0.045251133221049934,
"volume": 110.49447039425962,
"volume_molar": 13.308265078317682,
"formula_full": "Sm1 Zn1 Ag1 As2",
"formula_reduced": "SmZnAgAs2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 0.7910080069999998,
"spacegroup": 156
},
{
"id": "jvasp-109366",
"created_at": "2022-09-04T14:38:26.897366Z",
"updated_at": "2022-09-04T14:38:26.897388Z",
"structure_string": "Sm3 Dy1 S4\n1.0\n3.973995 -0.000000 0.000000\n0.000000 5.625794 0.000000\n-0.000000 -0.000000 7.965389\nSm Dy S\n3 1 4\ndirect\n0.499999 0.500000 0.251395 Sm\n0.000000 0.000000 0.500000 Sm\n0.499999 0.500000 0.748605 Sm\n0.000000 0.000000 0.000000 Dy\n-0.000000 0.500000 0.500000 S\n0.499999 0.000000 0.757326 S\n-0.000000 0.500000 -0.000000 S\n0.499999 0.000000 0.242674 S\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"Dy",
"S"
],
"chemical_system": "Dy-S-Sm",
"density": 6.917373285752564,
"density_atomic": 0.04492332107264267,
"volume": 178.08122393853526,
"volume_molar": 13.405377465886763,
"formula_full": "Sm3 Dy1 S4",
"formula_reduced": "Sm3DyS4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 1.705360390625,
"spacegroup": 47
},
{
"id": "jvasp-109367",
"created_at": "2022-09-04T14:38:27.689616Z",
"updated_at": "2022-09-04T14:38:27.689644Z",
"structure_string": "Sc1 Sb1 Pb2 O6\n1.0\n5.036915 0.000091 -2.864295\n-1.687901 4.714858 -2.914757\n0.019158 -0.000091 5.794337\nSc Sb Pb O\n1 1 2 6\ndirect\n0.983072 -0.000000 0.983072 Sc\n0.495420 0.500000 0.995420 Sb\n0.202547 0.755331 0.447214 Pb\n0.691884 0.244669 0.447214 Pb\n0.268953 0.243281 0.512234 O\n0.268953 0.756719 0.025671 O\n0.762895 0.744858 0.018035 O\n0.751753 0.736243 0.487995 O\n0.751753 0.263757 0.015509 O\n0.273177 0.255142 0.018035 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sc",
"Sb",
"Pb",
"O"
],
"chemical_system": "O-Pb-Sb-Sc",
"density": 8.15567366735522,
"density_atomic": 0.07253540360142133,
"volume": 137.8637121115302,
"volume_molar": 8.302346800317515,
"formula_full": "Sc1 Sb1 Pb2 O6",
"formula_reduced": "ScSb(PbO3)2",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.091817399,
"spacegroup": 44
},
{
"id": "jvasp-109368",
"created_at": "2022-09-04T14:38:27.877148Z",
"updated_at": "2022-09-04T14:38:27.877173Z",
"structure_string": "Sm2 In3 Sn3\n1.0\n4.723229 0.000000 0.000000\n0.000000 4.794002 0.000000\n0.000000 0.000000 9.272309\nSm In Sn\n2 3 3\ndirect\n0.000000 0.000000 0.247807 Sm\n0.000000 0.000000 0.752193 Sm\n0.500000 0.500000 0.253350 In\n0.500000 0.500000 0.746650 In\n-0.000000 0.500000 0.500000 In\n-0.000000 0.500000 -0.000000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.000000 -0.000000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Sm",
"In",
"Sn"
],
"chemical_system": "In-Sm-Sn",
"density": 7.919357330416692,
"density_atomic": 0.03810350070626967,
"volume": 209.95446223353576,
"volume_molar": 15.804691559505704,
"formula_full": "Sm2 In3 Sn3",
"formula_reduced": "Sm2(InSn)3",
"formula_anonymous": "A2B3C3",
"energy_above_hull": 0.350690345,
"spacegroup": 47
},
{
"id": "jvasp-109369",
"created_at": "2022-09-04T14:38:28.462701Z",
"updated_at": "2022-09-04T14:38:28.462729Z",
"structure_string": "Sb3 Au1\n1.0\n3.074132 -0.000000 0.000000\n0.000000 3.074132 0.000000\n-0.000000 -0.000000 11.779252\nSb Au\n3 1\ndirect\n0.000000 0.000000 0.231919 Sb\n0.000000 0.000000 0.500000 Sb\n0.000000 0.000000 0.768081 Sb\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sb",
"Au"
],
"chemical_system": "Au-Sb",
"density": 8.387126144684157,
"density_atomic": 0.03593331254823096,
"volume": 111.31731856424477,
"volume_molar": 16.759214035491077,
"formula_full": "Sb3 Au1",
"formula_reduced": "Sb3Au",
"formula_anonymous": "AB3",
"energy_above_hull": 1.3291889675,
"spacegroup": 123
}
]
}