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=-nsites&page=983",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=981",
"results": [
{
"id": "jvasp-46764",
"created_at": "2022-09-04T14:38:01.885698Z",
"updated_at": "2022-09-04T14:38:01.885728Z",
"structure_string": "Li3 Co2 Si2 O8\n1.0\n0.063540 -5.158264 -0.248357\n5.158166 -0.069312 -0.248358\n0.033647 -0.033685 6.617543\nLi Co Si O\n3 2 2 8\ndirect\n0.573884 0.093552 0.554541 Li\n0.906444 0.426109 0.445460 Li\n0.137381 0.862618 0.499997 Li\n0.812362 0.187637 -0.000001 Co\n0.198534 0.801467 -0.000002 Co\n0.333714 0.326595 0.251660 Si\n0.673407 0.666287 0.748336 Si\n0.190452 0.177540 0.047633 O\n0.651131 0.279755 0.245807 O\n0.230161 0.208682 0.454320 O\n0.720244 0.348867 0.754191 O\n0.242477 0.635231 0.244862 O\n0.791320 0.769838 0.545678 O\n0.364774 0.757528 0.755135 O\n0.822462 0.809548 0.952365 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 3.043852787470552,
"density_atomic": 0.08516428325679909,
"volume": 176.1301736641161,
"volume_molar": 7.071204652590349,
"formula_full": "Li3 Co2 Si2 O8",
"formula_reduced": "Li3Co2(SiO4)2",
"formula_anonymous": "A2B2C3D8",
"energy_above_hull": 2.6939751333333333,
"spacegroup": 5
},
{
"id": "jvasp-29533",
"created_at": "2022-09-04T14:37:56.995231Z",
"updated_at": "2022-09-04T14:37:56.995257Z",
"structure_string": "Cd5 I10\n1.0\n4.285041 -0.000000 0.000000\n-2.142520 3.710955 -0.000000\n0.000000 -0.000000 34.387187\nCd I\n5 10\ndirect\n0.666667 0.333333 0.050018 Cd\n-0.000000 0.000000 0.650030 Cd\n0.333332 0.666666 0.449982 Cd\n-0.000000 0.000000 0.849970 Cd\n-0.000000 0.000000 0.250000 Cd\n0.666667 0.333333 0.199573 I\n0.333332 0.666666 0.300427 I\n0.666667 0.333333 0.399534 I\n0.333332 0.666666 0.700453 I\n0.333332 0.666666 0.100466 I\n0.666667 0.333333 0.599573 I\n0.000000 -0.000000 -0.000400 I\n0.333332 0.666666 0.900427 I\n0.666667 0.333333 0.799547 I\n-0.000000 0.000000 0.500400 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Cd",
"I"
],
"chemical_system": "Cd-I",
"density": 5.56062706098678,
"density_atomic": 0.02743177683336946,
"volume": 546.8110976228564,
"volume_molar": 21.95315599343295,
"formula_full": "Cd5 I10",
"formula_reduced": "CdI2",
"formula_anonymous": "AB2",
"energy_above_hull": 2.000000000002e-05,
"spacegroup": 164
},
{
"id": "jvasp-30299",
"created_at": "2022-09-04T14:37:57.360282Z",
"updated_at": "2022-09-04T14:37:57.360318Z",
"structure_string": "Mn5 O9 F1\n1.0\n4.748116 -0.024463 -0.061989\n0.885273 4.954553 -0.116826\n1.839528 -2.742101 6.918487\nMn O F\n5 9 1\ndirect\n0.004297 0.197232 0.401681 Mn\n0.986553 0.001444 0.011057 Mn\n0.002517 0.592302 0.196368 Mn\n0.994377 0.791944 0.589778 Mn\n0.985122 0.420392 0.803808 Mn\n0.212070 0.208434 0.157224 O\n0.212847 0.809906 0.356924 O\n0.209268 0.412970 0.556214 O\n0.209036 0.614067 0.959914 O\n0.792278 0.385426 0.040236 O\n0.783758 -0.010245 0.242576 O\n0.784935 0.589616 0.443253 O\n0.794531 0.186572 0.642544 O\n0.787308 0.806095 0.842140 O\n0.238252 -0.005915 0.753006 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.483440156262042,
"density_atomic": 0.09253235895198396,
"volume": 162.10545337748994,
"volume_molar": 6.508145721352412,
"formula_full": "Mn5 O9 F1",
"formula_reduced": "Mn5O9F",
"formula_anonymous": "AB5C9",
"energy_above_hull": 3.420007199293104,
"spacegroup": 1
},
{
"id": "jvasp-45861",
"created_at": "2022-09-04T14:38:02.014149Z",
"updated_at": "2022-09-04T14:38:02.014174Z",
"structure_string": "Li3 Fe1 Co3 O8\n1.0\n4.960520 1.464620 -2.423881\n1.603867 -5.432133 0.000000\n1.603867 -2.479292 -4.833341\nLi Fe Co O\n3 1 3 8\ndirect\n0.500000 0.000000 -0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.500001 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 -0.000000 Co\n0.000001 0.500000 0.499999 Co\n0.211722 0.234877 0.023155 O\n0.211722 0.234877 0.530247 O\n0.211722 0.741969 0.023155 O\n0.218376 0.739458 0.521082 O\n0.781625 0.260542 0.478917 O\n0.788279 0.258031 0.976844 O\n0.788279 0.765123 0.469752 O\n0.788280 0.765123 0.976843 O\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Co",
"O"
],
"chemical_system": "Co-Fe-Li-O",
"density": 4.868277758511024,
"density_atomic": 0.11528301744033362,
"volume": 130.11456789603434,
"volume_molar": 5.223788285309972,
"formula_full": "Li3 Fe1 Co3 O8",
"formula_reduced": "Li3FeCo3O8",
"formula_anonymous": "AB3C3D8",
"energy_above_hull": 2.764271746666666,
"spacegroup": 166
},
{
"id": "jvasp-29528",
"created_at": "2022-09-04T14:37:56.918094Z",
"updated_at": "2022-09-04T14:37:56.918125Z",
"structure_string": "Pb5 I10\n1.0\n4.588677 -0.000000 -0.000000\n-2.294339 3.973912 -0.000000\n0.000000 0.000000 35.214740\nPb I\n5 10\ndirect\n-0.000000 -0.000000 0.853002 Pb\n0.333333 0.666667 0.452924 Pb\n0.333333 0.666667 0.652641 Pb\n0.333333 0.666667 0.253090 Pb\n0.333333 0.666667 0.053336 Pb\n0.666667 0.333333 0.107152 I\n0.666667 0.333333 0.706430 I\n-0.000000 -0.000000 0.199287 I\n0.333333 0.666667 0.799205 I\n0.666667 0.333333 0.506718 I\n0.000000 0.000000 -0.000441 I\n0.666667 0.333333 0.306891 I\n0.666667 0.333333 0.906809 I\n-0.000000 -0.000000 0.399124 I\n-0.000000 -0.000000 0.598832 I\n",
"nsites": 15,
"nelements": 2,
"elements": [
"Pb",
"I"
],
"chemical_system": "I-Pb",
"density": 5.9607132354993535,
"density_atomic": 0.023359365317239044,
"volume": 642.1407344030066,
"volume_molar": 25.780412602031202,
"formula_full": "Pb5 I10",
"formula_reduced": "PbI2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.00024,
"spacegroup": 156
},
{
"id": "jvasp-56858",
"created_at": "2022-09-04T14:37:55.924751Z",
"updated_at": "2022-09-04T14:37:55.924776Z",
"structure_string": "Mn2 Fe1 C6 N6\n1.0\n2.981527 -5.164157 0.000000\n2.981527 5.164157 0.000000\n0.000000 0.000000 6.475485\nMn Fe C N\n2 1 6 6\ndirect\n0.666668 0.333333 0.500004 Mn\n0.333333 0.666668 0.499995 Mn\n0.000000 0.000000 0.000000 Fe\n0.245979 -0.000004 0.821892 C\n0.245983 0.245979 0.178107 C\n0.754022 1.000005 0.178107 C\n1.000004 0.245983 0.821892 C\n-0.000003 0.754018 0.178107 C\n0.754018 0.754022 0.821892 C\n0.615612 0.615615 0.690748 N\n0.615615 0.000003 0.309251 N\n0.999998 0.615612 0.309251 N\n0.384386 0.999998 0.690748 N\n0.384389 0.384386 0.309251 N\n0.000003 0.384389 0.690748 N\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Mn",
"Fe",
"C",
"N"
],
"chemical_system": "C-Fe-Mn-N",
"density": 2.679964588444526,
"density_atomic": 0.07522302221464375,
"volume": 199.40703734554197,
"volume_molar": 8.00571498286287,
"formula_full": "Mn2 Fe1 C6 N6",
"formula_reduced": "Mn2Fe(CN)6",
"formula_anonymous": "AB2C6D6",
"energy_above_hull": 6.5530106321839074,
"spacegroup": 162
},
{
"id": "jvasp-4573",
"created_at": "2022-09-04T14:37:55.501967Z",
"updated_at": "2022-09-04T14:37:55.501990Z",
"structure_string": "B12 C3\n1.0\n5.976302 0.189841 3.002343\n1.932133 5.658540 3.002343\n0.256710 0.189841 6.683139\nB C\n12 3\ndirect\n0.496952 0.873451 0.496952 B\n0.496952 0.496952 0.873451 B\n0.873451 0.496952 0.496952 B\n0.126548 0.503048 0.503048 B\n0.503048 0.126549 0.503048 B\n0.503047 0.503048 0.126549 B\n0.342052 0.099105 0.342052 B\n0.342052 0.342052 0.099105 B\n0.099105 0.342052 0.342052 B\n0.900895 0.657948 0.657948 B\n0.657947 0.900895 0.657948 B\n0.657947 0.657948 0.900895 B\n0.415086 0.415086 0.415086 C\n0.584913 0.584913 0.584913 C\n0.500000 0.500000 0.500000 C\n",
"nsites": 15,
"nelements": 2,
"elements": [
"B",
"C"
],
"chemical_system": "B-C",
"density": 1.2682739451561178,
"density_atomic": 0.06911379685900111,
"volume": 217.03336644348255,
"volume_molar": 8.713369882262084,
"formula_full": "B12 C3",
"formula_reduced": "B4C",
"formula_anonymous": "AB4",
"energy_above_hull": 5.286978066666668,
"spacegroup": 166
},
{
"id": "jvasp-46959",
"created_at": "2022-09-04T14:38:02.206860Z",
"updated_at": "2022-09-04T14:38:02.206880Z",
"structure_string": "Li4 Co3 O2 F6\n1.0\n-5.021002 -0.017938 0.001793\n0.896732 5.186222 -0.036170\n-0.072901 -1.767044 -5.509315\nLi Co O F\n4 3 2 6\ndirect\n0.256893 0.974251 0.866078 Li\n0.761007 -0.003277 0.633068 Li\n0.238993 0.003277 0.366933 Li\n0.743107 0.025750 0.133923 Li\n0.501617 0.495754 0.778912 Co\n0.498383 0.504246 0.221089 Co\n0.000000 0.500000 -0.000000 Co\n0.642269 0.254955 0.937170 O\n0.357731 0.745046 0.062831 O\n0.134084 0.207013 0.687748 F\n0.872105 0.771716 0.826577 F\n0.401265 0.744937 0.564562 F\n0.598735 0.255063 0.435439 F\n0.865916 0.792987 0.312254 F\n0.127895 0.228284 0.173424 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Co",
"O",
"F"
],
"chemical_system": "Co-F-Li-O",
"density": 4.0510489494071455,
"density_atomic": 0.10438935325200867,
"volume": 143.692814762327,
"volume_molar": 5.768922377995594,
"formula_full": "Li4 Co3 O2 F6",
"formula_reduced": "Li4Co3(OF3)2",
"formula_anonymous": "A2B3C4D6",
"energy_above_hull": 1.2278074263333336,
"spacegroup": 2
},
{
"id": "jvasp-39698",
"created_at": "2022-09-04T14:37:41.372627Z",
"updated_at": "2022-09-04T14:37:41.372644Z",
"structure_string": "Li5 Cu4 P6\n1.0\n3.885218 0.000000 0.000000\n-1.942609 6.340828 4.389330\n-1.942609 -6.340828 4.389330\nLi Cu P\n5 4 6\ndirect\n0.000000 0.000000 0.000000 Li\n0.000001 0.721828 0.278172 Li\n0.827266 0.327266 0.327266 Li\n0.172734 0.672734 0.672734 Li\n0.000001 0.278172 0.721828 Li\n0.266694 0.439616 0.093774 Cu\n0.266694 0.093774 0.439616 Cu\n0.733306 0.906226 0.560384 Cu\n0.733306 0.560384 0.906226 Cu\n0.375853 0.728862 0.022845 P\n0.624147 0.977156 0.271139 P\n0.500000 0.586058 0.413943 P\n0.500000 0.413943 0.586058 P\n0.375853 0.022845 0.728862 P\n0.624147 0.271139 0.977156 P\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Li",
"Cu",
"P"
],
"chemical_system": "Cu-Li-P",
"density": 3.6450846547426,
"density_atomic": 0.0693588150923375,
"volume": 216.26667035805724,
"volume_molar": 8.68258887061827,
"formula_full": "Li5 Cu4 P6",
"formula_reduced": "Li5(Cu2P3)2",
"formula_anonymous": "A4B5C6",
"energy_above_hull": 1.594564986666667,
"spacegroup": 71
},
{
"id": "jvasp-37273",
"created_at": "2022-09-04T14:37:57.310147Z",
"updated_at": "2022-09-04T14:37:57.310167Z",
"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Sm",
"Mo",
"S"
],
"chemical_system": "Mo-S-Sm",
"density": 5.903659616012946,
"density_atomic": 0.054277779412699616,
"volume": 276.35618410156223,
"volume_molar": 11.095038937040545,
"formula_full": "Sm1 Mo6 S8",
"formula_reduced": "Sm(Mo3S4)2",
"formula_anonymous": "AB6C8",
"energy_above_hull": 4.289939618333333,
"spacegroup": 148
},
{
"id": "jvasp-47370",
"created_at": "2022-09-04T14:38:02.005089Z",
"updated_at": "2022-09-04T14:38:02.005116Z",
"structure_string": "Li8 Mn1 O5 F1\n1.0\n5.261840 0.009645 -0.006318\n-2.137986 4.819287 0.009325\n-2.484537 -1.189485 5.063509\nLi Mn O F\n8 1 5 1\ndirect\n0.243442 0.470970 0.359016 Li\n0.122575 0.229395 0.653989 Li\n0.406001 0.886085 0.643481 Li\n0.710059 0.359517 0.008161 Li\n0.318639 0.674875 0.975808 Li\n0.578462 0.097769 0.347622 Li\n0.901859 0.795154 0.369414 Li\n0.757486 0.520037 0.653313 Li\n0.955631 0.966269 0.977690 Mn\n0.491964 0.577607 0.759280 O\n0.870227 0.108804 0.236722 O\n0.167683 0.777052 0.232434 O\n0.813148 0.204505 0.752879 O\n0.114778 0.885947 0.753918 O\n0.548041 0.446022 0.276277 F\n",
"nsites": 15,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 2.707332876557199,
"density_atomic": 0.11675613683958179,
"volume": 128.47290434599932,
"volume_molar": 5.157879425450823,
"formula_full": "Li8 Mn1 O5 F1",
"formula_reduced": "Li8MnO5F",
"formula_anonymous": "ABC5D8",
"energy_above_hull": 1.652838334925287,
"spacegroup": 1
},
{
"id": "jvasp-59742",
"created_at": "2022-09-04T14:37:40.265906Z",
"updated_at": "2022-09-04T14:37:40.265932Z",
"structure_string": "Cu6 Pb1 O8\n1.0\n5.279961 -0.000000 3.048387\n1.759987 4.977995 3.048387\n-0.000000 -0.000000 6.096773\nCu Pb O\n6 1 8\ndirect\n0.000000 0.500000 -0.000000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.250000 0.250000 0.250000 O\n0.748232 0.251768 0.251768 O\n0.748232 0.748233 0.251768 O\n0.251768 0.251768 0.748232 O\n0.748232 0.251768 0.748232 O\n0.251768 0.748233 0.251768 O\n0.750000 0.750001 0.750000 O\n0.251768 0.748233 0.748232 O\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb",
"density": 7.424421832453974,
"density_atomic": 0.09360651206658294,
"volume": 160.24526145499792,
"volume_molar": 6.4334634707,
"formula_full": "Cu6 Pb1 O8",
"formula_reduced": "Cu6PbO8",
"formula_anonymous": "AB6C8",
"energy_above_hull": 1.3705341013333334,
"spacegroup": 225
}
]
}