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=-density&page=1043",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-density&page=1041",
"results": [
{
"id": "jvasp-36980",
"created_at": "2022-09-04T14:38:15.388819Z",
"updated_at": "2022-09-04T14:38:15.388836Z",
"structure_string": "Tl1 Hg1 F3\n1.0\n4.528263 -0.006337 -0.010782\n0.007719 4.501398 0.161784\n0.029866 0.279223 4.552066\nTl Hg F\n1 1 3\ndirect\n-0.000073 0.985339 0.064399 Tl\n0.498995 0.477971 0.551329 Hg\n-0.000317 0.501492 0.445931 F\n0.498992 0.003548 0.432577 F\n0.502403 0.591646 0.015767 F\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tl",
"Hg",
"F"
],
"chemical_system": "F-Hg-Tl",
"density": 8.285615525459326,
"density_atomic": 0.054004918038682716,
"volume": 92.58416050957791,
"volume_molar": 11.151096934702231,
"formula_full": "Tl1 Hg1 F3",
"formula_reduced": "TlHgF3",
"formula_anonymous": "ABC3",
"energy_above_hull": 0.0,
"spacegroup": 6
},
{
"id": "jvasp-11148",
"created_at": "2022-09-04T14:37:09.708447Z",
"updated_at": "2022-09-04T14:37:09.708472Z",
"structure_string": "U2 Rh4 O12\n1.0\n4.793150 -0.000000 0.000000\n0.000000 4.793150 0.000000\n0.000000 0.000000 9.418840\nU Rh O\n2 4 12\ndirect\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.329905 Rh\n0.500000 0.500000 0.829905 Rh\n0.000000 0.000000 0.670095 Rh\n0.500000 0.500000 0.170095 Rh\n0.686672 0.686672 0.000000 O\n0.813328 0.186672 0.500000 O\n0.186672 0.813328 0.500000 O\n0.313328 0.313328 0.000000 O\n0.797603 0.202397 0.832214 O\n0.702397 0.702397 0.332214 O\n0.202397 0.797603 0.167786 O\n0.297603 0.297603 0.332214 O\n0.297603 0.297603 0.667786 O\n0.702397 0.702397 0.667786 O\n0.797603 0.202397 0.167786 O\n0.202397 0.797603 0.832214 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"U",
"Rh",
"O"
],
"chemical_system": "O-Rh-U",
"density": 8.28517575003825,
"density_atomic": 0.0831827061517597,
"volume": 216.39113263711988,
"volume_molar": 7.239654777536477,
"formula_full": "U2 Rh4 O12",
"formula_reduced": "U(RhO3)2",
"formula_anonymous": "AB2C6",
"energy_above_hull": 3.226638111111112,
"spacegroup": 136
},
{
"id": "jvasp-106270",
"created_at": "2022-09-04T14:38:38.059077Z",
"updated_at": "2022-09-04T14:38:38.059105Z",
"structure_string": "Nd1 Cd3\n1.0\n4.458739 -0.000000 2.574254\n1.486247 4.203739 2.574254\n-0.000000 -0.000000 5.148509\nNd Cd\n1 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.250000 0.249999 Cd\n0.750001 0.750000 0.749998 Cd\n0.500000 0.500000 0.499999 Cd\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 8.285020135209695,
"density_atomic": 0.04145059034916385,
"volume": 96.50043500721067,
"volume_molar": 14.528480075366357,
"formula_full": "Nd1 Cd3",
"formula_reduced": "NdCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0013549999999999,
"spacegroup": 225
},
{
"id": "jvasp-43952",
"created_at": "2022-09-04T14:37:30.828197Z",
"updated_at": "2022-09-04T14:37:30.828210Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n4.747074 0.007524 -0.003730\n0.007524 4.747074 0.003730\n-0.007517 0.007517 9.034697\nTa Cr N O\n4 2 2 10\ndirect\n0.992411 0.007587 0.339191 Ta\n0.000580 -0.000580 0.673985 Ta\n0.496842 0.503157 0.167115 Ta\n0.486503 0.513496 0.826609 Ta\n0.003348 0.996651 0.993483 Cr\n0.516567 0.483431 0.498931 Cr\n0.198538 0.801461 0.844195 N\n0.793804 0.206195 0.498395 N\n0.700457 0.695957 0.663284 O\n0.697401 0.696537 0.332533 O\n0.700292 0.694772 0.001050 O\n0.305226 0.299706 0.001050 O\n0.198472 0.801526 0.499450 O\n0.303461 0.302597 0.332533 O\n0.199414 0.800585 0.162459 O\n0.802321 0.197678 0.166297 O\n0.304042 0.299541 0.663284 O\n0.800301 0.199697 0.836162 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.284943928641843,
"density_atomic": 0.08841146138353229,
"volume": 203.5935128581951,
"volume_molar": 6.811493290305116,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.398970727777778,
"spacegroup": 8
},
{
"id": "jvasp-103717",
"created_at": "2022-09-04T14:36:41.796012Z",
"updated_at": "2022-09-04T14:36:41.796032Z",
"structure_string": "Hf3 Sc1 Si4\n1.0\n3.747948 -0.000000 0.000000\n0.000000 5.276759 0.024625\n0.000000 0.000288 7.020840\nHf Sc Si\n3 1 4\ndirect\n-0.000000 0.877926 0.822818 Hf\n0.500000 0.374016 0.679157 Hf\n0.500000 0.123865 0.174682 Hf\n-0.000000 0.625074 0.324055 Sc\n-0.000000 0.142460 0.456968 Si\n-0.000000 0.359240 0.956250 Si\n0.500000 0.856826 0.542325 Si\n0.500000 0.640595 0.043749 Si\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Hf",
"Sc",
"Si"
],
"chemical_system": "Hf-Sc-Si",
"density": 8.284895826669215,
"density_atomic": 0.0576156118124368,
"volume": 138.8512548654935,
"volume_molar": 10.45227251878296,
"formula_full": "Hf3 Sc1 Si4",
"formula_reduced": "Hf3ScSi4",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.503881081249999,
"spacegroup": 6
},
{
"id": "jvasp-112980",
"created_at": "2022-09-04T14:38:44.003511Z",
"updated_at": "2022-09-04T14:38:44.003543Z",
"structure_string": "V3 Co20 B6\n1.0\n6.358752 -0.000000 3.671227\n2.119584 5.995089 3.671227\n-0.000000 -0.000000 7.342454\nV Co B\n3 20 6\ndirect\n0.000000 0.000000 0.000000 V\n0.749999 0.750000 0.750000 V\n0.250000 0.250000 0.250000 V\n0.661156 0.000000 0.000000 Co\n-0.000000 0.661156 0.000000 Co\n0.000000 0.000000 0.661156 Co\n0.338844 0.000000 0.000000 Co\n0.338844 0.000000 0.661156 Co\n0.338844 0.661156 0.000001 Co\n-0.000000 0.338844 0.661156 Co\n-0.000000 0.338844 0.000000 Co\n-0.000000 0.661156 0.338844 Co\n0.661155 0.338844 0.000001 Co\n0.000000 0.000000 0.338844 Co\n0.379682 0.379682 0.379682 Co\n0.860954 0.379682 0.379682 Co\n0.379681 0.860954 0.379682 Co\n0.379682 0.379682 0.860954 Co\n0.620317 0.620318 0.620318 Co\n0.139045 0.620318 0.620318 Co\n0.620318 0.139046 0.620318 Co\n0.620317 0.620318 0.139046 Co\n0.661156 0.000000 0.338844 Co\n0.725715 0.274285 0.725715 B\n0.725714 0.725715 0.274286 B\n0.274284 0.725715 0.274285 B\n0.725715 0.274285 0.274285 B\n0.274285 0.274285 0.725715 B\n0.274284 0.725715 0.725715 B\n",
"nsites": 29,
"nelements": 3,
"elements": [
"V",
"Co",
"B"
],
"chemical_system": "B-Co-V",
"density": 8.283921960131105,
"density_atomic": 0.10360703407918005,
"volume": 279.90377543128204,
"volume_molar": 5.812482534146931,
"formula_full": "V3 Co20 B6",
"formula_reduced": "V3(Co10B3)2",
"formula_anonymous": "A3B6C20",
"energy_above_hull": 4.672167451724138,
"spacegroup": 225
},
{
"id": "jvasp-74605",
"created_at": "2022-09-04T14:35:41.394860Z",
"updated_at": "2022-09-04T14:35:41.394882Z",
"structure_string": "Be1 Co1 Ru1\n1.0\n1.298671 -2.249363 -0.000000\n1.298671 2.249363 0.000000\n0.000000 0.000000 5.799228\nBe Co Ru\n1 1 1\ndirect\n0.000000 0.000000 0.009967 Be\n0.666666 0.333333 0.317489 Co\n0.333333 0.666666 0.672544 Ru\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Be",
"Co",
"Ru"
],
"chemical_system": "Be-Co-Ru",
"density": 8.283549025476704,
"density_atomic": 0.08854466225464318,
"volume": 33.88120665447209,
"volume_molar": 6.80124651972932,
"formula_full": "Be1 Co1 Ru1",
"formula_reduced": "BeCoRu",
"formula_anonymous": "ABC",
"energy_above_hull": 2.8743124999999994,
"spacegroup": 156
},
{
"id": "jvasp-42591",
"created_at": "2022-09-04T14:36:08.486364Z",
"updated_at": "2022-09-04T14:36:08.486390Z",
"structure_string": "Ta4 Cr2 N2 O10\n1.0\n0.000000 4.742992 0.001673\n4.751214 0.000000 0.000000\n0.000000 -4.710039 -9.037829\nTa Cr N O\n4 2 2 10\ndirect\n0.316801 0.243594 0.331203 Ta\n0.681714 0.241780 0.675958 Ta\n0.681714 0.758219 0.175958 Ta\n0.316801 0.756405 0.831203 Ta\n-0.001391 0.249963 0.994790 Cr\n-0.001391 0.750036 0.494789 Cr\n0.039366 0.945002 0.339977 N\n0.039366 0.054997 0.839977 N\n0.363509 0.943322 0.662920 O\n0.699617 0.944986 0.999385 O\n0.298347 0.549445 0.997634 O\n0.966273 0.551559 0.663769 O\n0.298347 0.450554 0.497634 O\n0.966273 0.448440 0.163769 O\n0.635761 0.445712 0.834366 O\n0.363509 0.056677 0.162920 O\n0.635761 0.554287 0.334366 O\n0.699617 0.055013 0.499385 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Ta",
"Cr",
"N",
"O"
],
"chemical_system": "Cr-N-O-Ta",
"density": 8.283468912213493,
"density_atomic": 0.08839572098032396,
"volume": 203.62976624181422,
"volume_molar": 6.812706195745008,
"formula_full": "Ta4 Cr2 N2 O10",
"formula_reduced": "Ta2CrNO5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 4.39841295,
"spacegroup": 7
},
{
"id": "jvasp-62836",
"created_at": "2022-09-04T14:35:44.442830Z",
"updated_at": "2022-09-04T14:35:44.442855Z",
"structure_string": "Tb4 Fe3 B6\n1.0\n7.346332 -2.644146 -0.073926\n7.346332 2.644146 -0.073926\n6.439807 0.000000 4.415254\nTb Fe B\n4 3 6\ndirect\n0.257910 0.257910 0.257909 Tb\n0.742091 0.742091 0.742088 Tb\n0.409259 0.409259 0.409257 Tb\n0.590742 0.590742 0.590740 Tb\n0.000000 0.000000 0.000000 Fe\n0.108723 0.108723 0.108723 Fe\n0.891278 0.891278 0.891275 Fe\n0.500000 0.832726 0.167273 B\n0.167275 0.500001 0.832724 B\n0.832727 0.167274 0.499999 B\n0.500001 0.167275 0.832724 B\n0.832726 0.500000 0.167273 B\n0.167274 0.832727 0.499999 B\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Tb",
"Fe",
"B"
],
"chemical_system": "B-Fe-Tb",
"density": 8.282290753538257,
"density_atomic": 0.07469194529974507,
"volume": 174.0482182895345,
"volume_molar": 8.062637458206027,
"formula_full": "Tb4 Fe3 B6",
"formula_reduced": "Tb4(FeB2)3",
"formula_anonymous": "A3B4C6",
"energy_above_hull": 4.025848123076924,
"spacegroup": 166
},
{
"id": "jvasp-22463",
"created_at": "2022-09-04T14:38:12.585532Z",
"updated_at": "2022-09-04T14:38:12.585554Z",
"structure_string": "Er4 Fe2 C8\n1.0\n4.614622 -0.000000 1.917127\n1.778414 5.855612 2.231646\n-0.000607 0.032442 6.513843\nEr Fe C\n4 2 8\ndirect\n0.144965 0.510221 0.199846 Er\n0.855033 0.489778 0.800155 Er\n0.355033 0.800154 0.489779 Er\n0.644965 0.199845 0.510222 Er\n0.250000 -0.000000 0.000000 Fe\n0.750000 -0.000000 0.000001 Fe\n0.421495 0.245172 0.911837 C\n0.578503 0.754827 0.088164 C\n0.078504 0.088163 0.754828 C\n0.921495 0.911837 0.245174 C\n0.370713 0.468111 0.790462 C\n0.629285 0.531889 0.209539 C\n0.870713 0.790461 0.468112 C\n0.129285 0.209538 0.531889 C\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Er",
"Fe",
"C"
],
"chemical_system": "C-Er-Fe",
"density": 8.282179048677385,
"density_atomic": 0.07963743553010942,
"volume": 175.79672055997915,
"volume_molar": 7.561947116847003,
"formula_full": "Er4 Fe2 C8",
"formula_reduced": "Er2FeC4",
"formula_anonymous": "AB2C4",
"energy_above_hull": 4.876740785714286,
"spacegroup": 72
},
{
"id": "jvasp-100605",
"created_at": "2022-09-04T14:36:35.468346Z",
"updated_at": "2022-09-04T14:36:35.468366Z",
"structure_string": "La2 Tl1 Ag1\n1.0\n4.772069 0.000000 2.755155\n1.590689 4.499150 2.755155\n0.000000 0.000000 5.510311\nLa Tl Ag\n2 1 1\ndirect\n0.750000 0.750000 0.749998 La\n0.250000 0.250000 0.249999 La\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.499999 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
"La",
"Tl",
"Ag"
],
"chemical_system": "Ag-La-Tl",
"density": 8.281972233207942,
"density_atomic": 0.033810118519677725,
"volume": 118.30777811890756,
"volume_molar": 17.811652320872735,
"formula_full": "La2 Tl1 Ag1",
"formula_reduced": "La2TlAg",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.6199274650000002,
"spacegroup": 225
},
{
"id": "jvasp-15754",
"created_at": "2022-09-04T14:36:35.693872Z",
"updated_at": "2022-09-04T14:36:35.693901Z",
"structure_string": "Yb2 Sb4\n1.0\n4.317997 -0.000000 -0.000000\n0.000000 4.435942 -1.209948\n-0.000000 -0.003975 8.721984\nYb Sb\n2 4\ndirect\n0.250000 0.896187 0.792376 Yb\n0.750001 0.103812 0.207623 Yb\n0.250000 0.256236 0.512474 Sb\n0.750001 0.743763 0.487525 Sb\n0.750001 0.438336 0.876672 Sb\n0.250000 0.561663 0.123327 Sb\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Yb",
"Sb"
],
"chemical_system": "Sb-Yb",
"density": 8.281846310338334,
"density_atomic": 0.035918795072099795,
"volume": 167.04346534888492,
"volume_molar": 16.765987689486128,
"formula_full": "Yb2 Sb4",
"formula_reduced": "YbSb2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.5526720333333336,
"spacegroup": 63
}
]
}