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=-created_at&page=896",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-created_at&page=894",
"results": [
{
"id": "jvasp-9614",
"created_at": "2022-09-04T14:38:20.666939Z",
"updated_at": "2022-09-04T14:38:20.666957Z",
"structure_string": "Tl6 B2 O6\n1.0\n4.676085 -8.099218 0.000000\n4.676085 8.099217 0.000000\n0.000000 -0.000000 3.771745\nTl B O\n6 2 6\ndirect\n0.056560 0.702631 0.749999 Tl\n0.353929 0.056560 0.250000 Tl\n0.702631 0.646070 0.250000 Tl\n0.297369 0.353930 0.749999 Tl\n0.646071 0.943440 0.749999 Tl\n0.943440 0.297369 0.250000 Tl\n0.666667 0.333333 0.749999 B\n0.333333 0.666667 0.250000 B\n0.592780 0.430761 0.749999 O\n0.162018 0.592780 0.250000 O\n0.430762 0.837982 0.250000 O\n0.569238 0.162018 0.749999 O\n0.407220 0.569239 0.250000 O\n0.837982 0.407220 0.749999 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tl",
"B",
"O"
],
"chemical_system": "B-O-Tl",
"density": 7.811315062841877,
"density_atomic": 0.0490038563236644,
"volume": 285.69180163152333,
"volume_molar": 12.289116024307367,
"formula_full": "Tl6 B2 O6",
"formula_reduced": "Tl3BO3",
"formula_anonymous": "AB3C3",
"energy_above_hull": 1.387658697619048,
"spacegroup": 176
},
{
"id": "jvasp-11111",
"created_at": "2022-09-04T14:38:20.665406Z",
"updated_at": "2022-09-04T14:38:20.665421Z",
"structure_string": "Tb4 Zn4 Sn4\n1.0\n2.249527 -3.896294 0.000000\n2.249527 3.896294 0.000000\n-0.000000 -0.000000 15.959910\nTb Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.750000 Tb\n0.000000 0.000000 0.250000 Tb\n0.000000 0.000000 0.500000 Tb\n0.000000 0.000000 0.000000 Tb\n0.666668 0.333334 0.838494 Zn\n0.666668 0.333334 0.661506 Zn\n0.333334 0.666668 0.161506 Zn\n0.333334 0.666668 0.338494 Zn\n0.666668 0.333334 0.112796 Sn\n0.666668 0.333334 0.387204 Sn\n0.333334 0.666668 0.887204 Sn\n0.333334 0.666668 0.612796 Sn\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Zn",
"Sn"
],
"chemical_system": "Sn-Tb-Zn",
"density": 8.14434188147012,
"density_atomic": 0.0428921565605663,
"volume": 279.77143054244146,
"volume_molar": 14.040191127942883,
"formula_full": "Tb4 Zn4 Sn4",
"formula_reduced": "TbZnSn",
"formula_anonymous": "ABC",
"energy_above_hull": 0.0,
"spacegroup": 194
},
{
"id": "jvasp-20524",
"created_at": "2022-09-04T14:38:20.665024Z",
"updated_at": "2022-09-04T14:38:20.665046Z",
"structure_string": "Ti1 Al1\n1.0\n2.818767 0.000000 0.000000\n0.000000 2.818767 -0.000000\n0.000000 -0.000000 4.089149\nTi Al\n1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Al\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Ti",
"Al"
],
"chemical_system": "Al-Ti",
"density": 3.8254376702576396,
"density_atomic": 0.061557178156740076,
"volume": 32.49011829144436,
"volume_molar": 9.783003283006433,
"formula_full": "Ti1 Al1",
"formula_reduced": "TiAl",
"formula_anonymous": "AB",
"energy_above_hull": 1.631300566666667,
"spacegroup": 123
},
{
"id": "jvasp-109929",
"created_at": "2022-09-04T14:38:20.663646Z",
"updated_at": "2022-09-04T14:38:20.663665Z",
"structure_string": "Ca2 Zn1 Sn1\n1.0\n4.595224 -0.000000 2.653054\n1.531741 4.332419 2.653054\n-0.000000 -0.000000 5.306108\nCa Zn Sn\n2 1 1\ndirect\n0.749999 0.750000 0.750000 Ca\n0.250000 0.250000 0.250000 Ca\n0.000000 0.000000 0.000000 Zn\n0.499999 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ca",
"Zn",
"Sn"
],
"chemical_system": "Ca-Sn-Zn",
"density": 4.154243560959117,
"density_atomic": 0.03786576783133469,
"volume": 105.63631029000075,
"volume_molar": 15.903918248335522,
"formula_full": "Ca2 Zn1 Sn1",
"formula_reduced": "Ca2ZnSn",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-109800",
"created_at": "2022-09-04T14:38:20.662093Z",
"updated_at": "2022-09-04T14:38:20.662120Z",
"structure_string": "K4 Zn2 Se4\n1.0\n6.268991 0.004577 -5.131227\n-1.189816 5.819162 -5.509215\n-0.047401 -0.004577 8.101079\nK Zn Se\n4 2 4\ndirect\n0.817030 0.643645 0.173386 K\n0.182970 0.356355 0.826613 K\n0.470258 0.143645 0.326614 K\n0.529741 0.856355 0.673386 K\n-0.000001 0.749999 0.750000 Zn\n-0.000000 0.250000 0.250000 Zn\n0.699419 0.393804 0.305615 Se\n0.300580 0.606195 0.694385 Se\n0.088187 0.893804 0.194385 Se\n0.911812 0.106196 0.805615 Se\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Zn",
"Se"
],
"chemical_system": "K-Se-Zn",
"density": 3.4063956487505775,
"density_atomic": 0.03401667070410709,
"volume": 293.9735074894506,
"volume_molar": 17.703498418123857,
"formula_full": "K4 Zn2 Se4",
"formula_reduced": "K2ZnSe2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.0,
"spacegroup": 72
},
{
"id": "jvasp-108640",
"created_at": "2022-09-04T14:38:20.654627Z",
"updated_at": "2022-09-04T14:38:20.654638Z",
"structure_string": "La1 Dy1 Tl2\n1.0\n4.748337 -0.000000 2.741454\n1.582779 4.476775 2.741454\n-0.000000 -0.000000 5.482908\nLa Dy Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 0.500001 0.499999 Dy\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750001 0.749999 Tl\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Dy",
"Tl"
],
"chemical_system": "Dy-La-Tl",
"density": 10.118005825220326,
"density_atomic": 0.034319601057266905,
"volume": 116.5514713683722,
"volume_molar": 17.54723415913618,
"formula_full": "La1 Dy1 Tl2",
"formula_reduced": "LaDyTl2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.396596675,
"spacegroup": 225
},
{
"id": "jvasp-25261",
"created_at": "2022-09-04T14:38:20.644410Z",
"updated_at": "2022-09-04T14:38:20.644429Z",
"structure_string": "I1\n1.0\n2.926271 0.007786 -1.393739\n-0.672288 2.848007 -1.393740\n0.280860 0.355849 4.359604\nI\n1\ndirect\n0.000000 0.000000 0.000000 I\n",
"nsites": 1,
"nelements": 1,
"elements": [
"I"
],
"chemical_system": "I",
"density": 5.368574765051894,
"density_atomic": 0.025476102557222057,
"volume": 39.2524719098572,
"volume_molar": 23.638391101910607,
"formula_full": "I1",
"formula_reduced": "I",
"formula_anonymous": "A",
"energy_above_hull": 0.0843362749999999,
"spacegroup": 139
},
{
"id": "jvasp-109499",
"created_at": "2022-09-04T14:38:20.640878Z",
"updated_at": "2022-09-04T14:38:20.640901Z",
"structure_string": "Al3 Ag1\n1.0\n4.086767 0.000000 0.000000\n0.000000 4.086767 0.000000\n0.000000 -0.000000 4.086767\nAl Ag\n3 1\ndirect\n-0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.500000 0.500000 -0.000000 Al\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Al",
"Ag"
],
"chemical_system": "Ag-Al",
"density": 4.593470513348375,
"density_atomic": 0.058603068654311016,
"volume": 68.25581137389378,
"volume_molar": 10.276152594539933,
"formula_full": "Al3 Ag1",
"formula_reduced": "Al3Ag",
"formula_anonymous": "AB3",
"energy_above_hull": 1.2042539150000002,
"spacegroup": 221
},
{
"id": "jvasp-26764",
"created_at": "2022-09-04T14:38:20.640414Z",
"updated_at": "2022-09-04T14:38:20.640437Z",
"structure_string": "Rb1 Na7 Co2 O6\n1.0\n4.529926 -0.000107 0.000094\n-2.265077 5.189506 -0.189047\n0.000224 -0.099955 10.474062\nRb Na Co O\n1 7 2 6\ndirect\n0.000000 0.000001 -0.000001 Rb\n0.123462 0.246982 0.715658 Na\n0.278217 0.556394 0.109807 Na\n0.771089 0.542232 0.601462 Na\n0.721782 0.443607 0.890191 Na\n0.876538 0.753020 0.284341 Na\n0.228912 0.457770 0.398538 Na\n0.500000 0.000001 0.500000 Na\n0.404542 0.809129 0.761827 Co\n0.595458 0.190872 0.238172 Co\n0.427775 0.855422 0.282759 O\n0.316287 0.632544 0.608583 O\n0.683712 0.367454 0.391415 O\n0.291722 0.583420 0.888495 O\n0.572228 0.144585 0.717240 O\n0.708275 0.416576 0.111506 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Rb",
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O-Rb",
"density": 3.1050925153678643,
"density_atomic": 0.065004461311217,
"volume": 246.136952406974,
"volume_molar": 9.264196085201364,
"formula_full": "Rb1 Na7 Co2 O6",
"formula_reduced": "RbNa7(CoO3)2",
"formula_anonymous": "AB2C6D7",
"energy_above_hull": 1.1026859875,
"spacegroup": 12
},
{
"id": "jvasp-19785",
"created_at": "2022-09-04T14:38:20.635005Z",
"updated_at": "2022-09-04T14:38:20.635024Z",
"structure_string": "Zr6 Hg2\n1.0\n5.587103 -0.000000 0.000000\n0.000000 5.587103 0.000000\n0.000000 0.000000 5.587103\nZr Hg\n6 2\ndirect\n0.500000 0.250000 0.000000 Zr\n0.500000 0.750000 0.000000 Zr\n0.250000 0.000000 0.500000 Zr\n0.750000 0.000000 0.500000 Zr\n0.000000 0.500000 0.250000 Zr\n0.000000 0.500000 0.750000 Zr\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Zr",
"Hg"
],
"chemical_system": "Hg-Zr",
"density": 9.031032146628576,
"density_atomic": 0.04587012816871427,
"volume": 174.40544248263953,
"volume_molar": 13.12867654925674,
"formula_full": "Zr6 Hg2",
"formula_reduced": "Zr3Hg",
"formula_anonymous": "AB3",
"energy_above_hull": 2.828562166666667,
"spacegroup": 223
},
{
"id": "jvasp-110214",
"created_at": "2022-09-04T14:38:20.634495Z",
"updated_at": "2022-09-04T14:38:20.634516Z",
"structure_string": "Mg4 Cd1 Ag5\n1.0\n3.317551 0.000000 0.000000\n0.000000 3.317551 0.000000\n0.000000 -0.000000 16.652277\nMg Cd Ag\n4 1 5\ndirect\n0.500000 0.500000 0.202974 Mg\n0.500000 0.500000 0.400959 Mg\n0.500000 0.500000 0.599041 Mg\n0.500000 0.500000 0.797026 Mg\n0.500000 0.500000 -0.000000 Cd\n0.000000 0.000000 0.893048 Ag\n0.000000 0.000000 0.106953 Ag\n0.000000 0.000000 0.301532 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.698468 Ag\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Ag"
],
"chemical_system": "Ag-Cd-Mg",
"density": 6.785874716382297,
"density_atomic": 0.0545621101134642,
"volume": 183.27736920739648,
"volume_molar": 11.037221154894311,
"formula_full": "Mg4 Cd1 Ag5",
"formula_reduced": "Mg4CdAg5",
"formula_anonymous": "AB4C5",
"energy_above_hull": 0.0,
"spacegroup": 123
},
{
"id": "jvasp-109309",
"created_at": "2022-09-04T14:38:20.626300Z",
"updated_at": "2022-09-04T14:38:20.626334Z",
"structure_string": "Tb1 Ce3\n1.0\n4.391747 -0.012443 -3.998028\n-0.866046 4.305527 -3.998028\n0.010219 0.012443 5.938987\nTb Ce\n1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500001 0.000000 Ce\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Tb",
"Ce"
],
"chemical_system": "Ce-Tb",
"density": 8.537147082180525,
"density_atomic": 0.03550096094390067,
"volume": 112.6730064101893,
"volume_molar": 16.963317611363557,
"formula_full": "Tb1 Ce3",
"formula_reduced": "TbCe3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.993536225,
"spacegroup": 139
}
]
}