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=200",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-id&page=198",
"results": [
{
"id": "jvasp-94872",
"created_at": "2022-09-04T14:35:59.627635Z",
"updated_at": "2022-09-04T14:35:59.627656Z",
"structure_string": "Pd1 N2 Cl4\n1.0\n-0.000000 0.000000 3.342957\n6.624151 0.000000 0.000000\n0.000000 6.624151 0.000000\nPd N Cl\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 N\n0.500000 0.000000 0.500000 N\n-0.000000 0.242999 0.242999 Cl\n-0.000000 0.757001 0.757001 Cl\n-0.000000 0.757001 0.242999 Cl\n-0.000000 0.242999 0.757001 Cl\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Pd",
"N",
"Cl"
],
"chemical_system": "Cl-N-Pd",
"density": 3.127180248948862,
"density_atomic": 0.04772069961454183,
"volume": 146.68686872869952,
"volume_molar": 12.619556730398154,
"formula_full": "Pd1 N2 Cl4",
"formula_reduced": "Pd(NCl2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 2.205316924285714,
"spacegroup": 123
},
{
"id": "jvasp-94870",
"created_at": "2022-09-04T14:35:55.286128Z",
"updated_at": "2022-09-04T14:35:55.286156Z",
"structure_string": "Sr1 Ag4 Sb2\n1.0\n-2.384518 -4.130106 0.000000\n2.384518 -4.130106 0.000000\n-0.000000 -2.753404 8.376262\nSr Ag Sb\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.143175 0.143175 0.570476 Ag\n0.856826 0.856826 0.429524 Ag\n0.435024 0.435024 0.694927 Ag\n0.564977 0.564977 0.305072 Ag\n0.256513 0.256513 0.230461 Sb\n0.743488 0.743488 0.769539 Sb\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"Ag",
"Sb"
],
"chemical_system": "Ag-Sb-Sr",
"density": 7.675578821142671,
"density_atomic": 0.042428334882339894,
"volume": 164.98408479644664,
"volume_molar": 14.193676882913966,
"formula_full": "Sr1 Ag4 Sb2",
"formula_reduced": "Sr(Ag2Sb)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.2120839357142859,
"spacegroup": 166
},
{
"id": "jvasp-9487",
"created_at": "2022-09-04T14:38:27.586209Z",
"updated_at": "2022-09-04T14:38:27.586230Z",
"structure_string": "Ti2 Zn2 Si2 O10\n1.0\n5.429903 -0.032013 0.007963\n-0.698068 5.384952 -0.006256\n-2.128784 -2.390304 6.590331\nTi Zn Si O\n2 2 2 10\ndirect\n0.006505 0.493682 0.506379 Ti\n0.991512 0.508617 0.006400 Ti\n0.822898 0.912522 0.355583 Zn\n0.410447 0.325306 0.855731 Zn\n0.325290 0.137402 0.230899 Si\n0.635331 0.827489 0.730797 Si\n0.272548 0.321893 0.086006 O\n0.135564 0.186960 0.371230 O\n0.684968 0.637967 0.871305 O\n0.820062 0.774928 0.586095 O\n0.324056 0.737585 0.584251 O\n0.696609 0.141287 0.866917 O\n0.639090 0.198920 0.367130 O\n0.235736 0.826055 0.084569 O\n0.069892 0.396490 0.731891 O\n0.894021 0.571918 0.231779 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Ti",
"Zn",
"Si",
"O"
],
"chemical_system": "O-Si-Ti-Zn",
"density": 3.8174596651642183,
"density_atomic": 0.08308433408136032,
"volume": 192.57541360723917,
"volume_molar": 7.248226547862586,
"formula_full": "Ti2 Zn2 Si2 O10",
"formula_reduced": "TiZnSiO5",
"formula_anonymous": "ABCD5",
"energy_above_hull": 2.2046381041666665,
"spacegroup": 9
},
{
"id": "jvasp-94869",
"created_at": "2022-09-04T14:35:49.179631Z",
"updated_at": "2022-09-04T14:35:49.179647Z",
"structure_string": "In1 Pd5 Se1\n1.0\n4.070652 -0.000000 -0.000000\n-0.000000 4.070652 0.000000\n-0.000000 -0.000000 7.175821\nIn Pd Se\n1 5 1\ndirect\n0.500000 0.500000 0.000000 In\n0.000000 0.000000 0.000000 Pd\n0.500000 0.000000 0.722010 Pd\n0.000000 0.500000 0.722010 Pd\n0.500000 0.000000 0.277990 Pd\n0.000000 0.500000 0.277990 Pd\n0.000000 0.000000 0.500000 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"In",
"Pd",
"Se"
],
"chemical_system": "In-Pd-Se",
"density": 10.13708720126482,
"density_atomic": 0.058870603917539045,
"volume": 118.9048444246471,
"volume_molar": 10.229453002444659,
"formula_full": "In1 Pd5 Se1",
"formula_reduced": "InPd5Se",
"formula_anonymous": "ABC5",
"energy_above_hull": 1.455455976666667,
"spacegroup": 123
},
{
"id": "jvasp-94868",
"created_at": "2022-09-04T14:35:45.854537Z",
"updated_at": "2022-09-04T14:35:45.854564Z",
"structure_string": "Ti3 Se4\n1.0\n-0.000000 3.553737 -0.000000\n0.009687 -0.000000 6.438358\n6.032487 -1.776869 -3.157226\nTi Se\n3 4\ndirect\n0.000000 0.000000 0.000000 Ti\n0.748238 0.708185 0.496475 Ti\n0.251763 0.291815 0.503526 Ti\n0.632723 0.964183 0.265445 Se\n0.367278 0.035817 0.734556 Se\n0.888118 0.550372 0.776235 Se\n0.111883 0.449628 0.223766 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Ti",
"Se"
],
"chemical_system": "Se-Ti",
"density": 5.5230655128009944,
"density_atomic": 0.05067565709067833,
"volume": 138.13338399291587,
"volume_molar": 11.883695458006716,
"formula_full": "Ti3 Se4",
"formula_reduced": "Ti3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.6052926380952384,
"spacegroup": 12
},
{
"id": "jvasp-94867",
"created_at": "2022-09-04T14:36:18.223911Z",
"updated_at": "2022-09-04T14:36:18.223935Z",
"structure_string": "Sm4 Bi2 O1\n1.0\n4.682858 -0.000000 -0.000000\n-0.000000 4.682858 -0.000000\n-2.341429 -2.341429 8.583702\nSm Bi O\n4 2 1\ndirect\n0.500000 0.000000 0.000000 Sm\n0.000000 0.500000 0.000000 Sm\n0.827974 0.827974 0.655949 Sm\n0.172025 0.172025 0.344051 Sm\n0.641161 0.641161 0.282323 Bi\n0.358839 0.358839 0.717677 Bi\n0.000000 0.000000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sm",
"Bi",
"O"
],
"chemical_system": "Bi-O-Sm",
"density": 9.133994226050968,
"density_atomic": 0.03718788084503036,
"volume": 188.23336638004346,
"volume_molar": 16.193826115275336,
"formula_full": "Sm4 Bi2 O1",
"formula_reduced": "Sm4Bi2O",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.4870368,
"spacegroup": 139
},
{
"id": "jvasp-94866",
"created_at": "2022-09-04T14:36:12.993415Z",
"updated_at": "2022-09-04T14:36:12.993440Z",
"structure_string": "Fe3 Se4\n1.0\n0.000000 -3.527322 0.000000\n-3.053960 1.763661 0.041682\n-0.155981 0.000000 -11.119710\nFe Se\n3 4\ndirect\n-0.000000 -0.000000 0.500000 Fe\n0.000203 0.000406 0.237162 Fe\n-0.000203 -0.000406 0.762838 Fe\n0.333446 0.666890 0.366116 Se\n0.666554 0.333109 0.633884 Se\n0.333080 0.666160 0.875184 Se\n0.666920 0.333840 0.124817 Se\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Fe",
"Se"
],
"chemical_system": "Fe-Se",
"density": 6.699590076922792,
"density_atomic": 0.05842691935666857,
"volume": 119.80778855151215,
"volume_molar": 10.307133811450324,
"formula_full": "Fe3 Se4",
"formula_reduced": "Fe3Se4",
"formula_anonymous": "A3B4",
"energy_above_hull": 2.562977138095238,
"spacegroup": 164
},
{
"id": "jvasp-94865",
"created_at": "2022-09-04T14:36:09.747319Z",
"updated_at": "2022-09-04T14:36:09.747340Z",
"structure_string": "Mg1 Al2 Se4\n1.0\n-1.952752 -3.382265 -0.000000\n1.952752 -3.382265 -0.000000\n0.000000 -2.254844 12.916928\nMg Al Se\n1 2 4\ndirect\n0.832431 0.832431 0.502711 Mg\n0.069208 0.069208 0.792375 Al\n0.595650 0.595650 0.213055 Al\n0.956470 0.956470 0.130594 Se\n0.708389 0.708389 0.874834 Se\n0.536134 0.536134 0.391601 Se\n0.128723 0.128723 0.613830 Se\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Mg",
"Al",
"Se"
],
"chemical_system": "Al-Mg-Se",
"density": 3.8354866547433337,
"density_atomic": 0.04102551889581927,
"volume": 170.6255079375325,
"volume_molar": 14.679011800661685,
"formula_full": "Mg1 Al2 Se4",
"formula_reduced": "Mg(AlSe2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 1.1687611595238097,
"spacegroup": 166
},
{
"id": "jvasp-94864",
"created_at": "2022-09-04T14:36:03.207297Z",
"updated_at": "2022-09-04T14:36:03.207314Z",
"structure_string": "Er2 Mo2 C3\n1.0\n0.000000 3.367859 0.000000\n0.171817 0.000000 5.648936\n5.299020 -1.683929 -1.932619\nEr Mo C\n2 2 3\ndirect\n0.614381 0.820007 0.228762 Er\n0.385619 0.179993 0.771239 Er\n0.851007 0.629656 0.702014 Mo\n0.148994 0.370345 0.297987 Mo\n0.000000 0.500000 0.000000 C\n0.270325 0.744350 0.540651 C\n0.729675 0.255651 0.459350 C\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Er",
"Mo",
"C"
],
"chemical_system": "C-Er-Mo",
"density": 9.162424780797481,
"density_atomic": 0.06867375737244488,
"volume": 101.93122187906857,
"volume_molar": 8.76920237135061,
"formula_full": "Er2 Mo2 C3",
"formula_reduced": "Er2Mo2C3",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 5.285553114285715,
"spacegroup": 12
},
{
"id": "jvasp-94863",
"created_at": "2022-09-04T14:36:32.752649Z",
"updated_at": "2022-09-04T14:36:32.752681Z",
"structure_string": "Cr3 S4\n1.0\n-0.000000 3.455890 0.000000\n6.041405 -0.000000 -0.167619\n-3.010243 -1.727945 -5.502302\nCr S\n3 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.735603 0.718780 0.471207 Cr\n0.264398 0.281220 0.528793 Cr\n0.633107 0.978130 0.266214 S\n0.366894 0.021871 0.733786 S\n0.123185 0.447983 0.246371 S\n0.876816 0.552017 0.753629 S\n",
"nsites": 7,
"nelements": 2,
"elements": [
"Cr",
"S"
],
"chemical_system": "Cr-S",
"density": 4.047269035906069,
"density_atomic": 0.06002237017905506,
"volume": 116.62318530771158,
"volume_molar": 10.033160540037187,
"formula_full": "Cr3 S4",
"formula_reduced": "Cr3S4",
"formula_anonymous": "A3B4",
"energy_above_hull": 3.4737688857142865,
"spacegroup": 12
},
{
"id": "jvasp-94862",
"created_at": "2022-09-04T14:36:32.214755Z",
"updated_at": "2022-09-04T14:36:32.214779Z",
"structure_string": "Ce1 Zn2 Au4\n1.0\n-0.000000 0.000000 -5.362684\n-3.511385 3.511385 -2.681341\n3.511385 3.511385 -2.681341\nCe Zn Au\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Ce\n0.249999 0.500001 0.500001 Zn\n0.749999 0.500001 0.500001 Zn\n0.698937 -0.000000 0.602124 Au\n0.301061 -0.000000 0.397877 Au\n0.698937 0.602124 -0.000000 Au\n0.301061 0.397877 -0.000000 Au\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Au"
],
"chemical_system": "Au-Ce-Zn",
"density": 13.2951745010999,
"density_atomic": 0.05293329618610591,
"volume": 132.24190640592263,
"volume_molar": 11.376848210674455,
"formula_full": "Ce1 Zn2 Au4",
"formula_reduced": "Ce(ZnAu2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 0.0479952257142858,
"spacegroup": 139
},
{
"id": "jvasp-94860",
"created_at": "2022-09-04T14:36:32.217566Z",
"updated_at": "2022-09-04T14:36:32.217594Z",
"structure_string": "Tl2 Pd3 S2\n1.0\n5.109617 -0.005178 2.880149\n1.680327 4.825424 2.880149\n-0.007294 -0.005178 5.865441\nTl Pd S\n2 3 2\ndirect\n0.000000 0.000000 0.000000 Tl\n0.500001 0.499999 0.500000 Tl\n0.000000 -0.000000 0.500000 Pd\n0.000000 0.500000 0.000000 Pd\n0.500000 -0.000000 0.000000 Pd\n0.719671 0.719669 0.719670 S\n0.280331 0.280330 0.280330 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Tl",
"Pd",
"S"
],
"chemical_system": "Pd-S-Tl",
"density": 9.082899054615538,
"density_atomic": 0.048335073701674426,
"volume": 144.82237149785303,
"volume_molar": 12.459152947958328,
"formula_full": "Tl2 Pd3 S2",
"formula_reduced": "Tl2Pd3S2",
"formula_anonymous": "A2B2C3",
"energy_above_hull": 1.1701074714285715,
"spacegroup": 166
}
]
}