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=nelements&page=4490",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=nelements&page=4488",
"results": [
{
"id": "jvasp-107810",
"created_at": "2022-09-04T14:36:34.991869Z",
"updated_at": "2022-09-04T14:36:34.991900Z",
"structure_string": "K2 Na1 Nd1 F6\n1.0\n5.485666 -0.000000 3.167151\n1.828555 5.171936 3.167151\n-0.000000 -0.000000 6.334302\nK Na Nd F\n2 1 1 6\ndirect\n0.750001 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500001 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Nd\n0.747742 0.252259 0.252258 F\n0.252259 0.252259 0.747740 F\n0.252260 0.747742 0.747740 F\n0.252260 0.747742 0.252258 F\n0.747742 0.252259 0.747740 F\n0.747742 0.747742 0.252258 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Nd",
"F"
],
"chemical_system": "F-K-Na-Nd",
"density": 3.3209979257367963,
"density_atomic": 0.05564404983931246,
"volume": 179.71373451209533,
"volume_molar": 10.82261405737108,
"formula_full": "K2 Na1 Nd1 F6",
"formula_reduced": "K2NaNdF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-99086",
"created_at": "2022-09-04T14:36:09.737499Z",
"updated_at": "2022-09-04T14:36:09.737517Z",
"structure_string": "Ba8 Na2 Ru6 O24\n1.0\n5.832126 -0.000000 0.000000\n-2.916062 5.050769 -0.000000\n0.000000 -0.000000 19.224905\nBa Na Ru O\n8 2 6 24\ndirect\n0.000000 0.000000 0.116816 Ba\n0.000000 0.000000 0.616816 Ba\n0.333334 0.666667 0.372583 Ba\n0.666668 0.333333 0.872583 Ba\n0.666668 0.333333 0.496825 Ba\n0.333334 0.666667 0.996825 Ba\n0.333334 0.666667 0.745785 Ba\n0.666668 0.333333 0.245785 Ba\n0.666668 0.333333 0.059444 Na\n0.333334 0.666667 0.559445 Na\n0.333334 0.666667 0.183671 Ru\n0.666668 0.333333 0.683672 Ru\n0.000000 0.000000 0.434756 Ru\n0.000000 0.000000 0.799869 Ru\n0.000000 0.000000 0.299868 Ru\n0.000000 0.000000 0.934757 Ru\n0.155926 0.311852 0.488358 O\n0.513249 0.026498 0.628268 O\n0.486752 0.973502 0.128268 O\n0.026499 0.513249 0.128268 O\n0.513249 0.486751 0.628268 O\n0.844075 0.688148 0.988358 O\n0.155927 0.844074 0.488358 O\n0.688149 0.844074 0.488358 O\n0.311852 0.155926 0.988358 O\n0.844075 0.155926 0.988358 O\n0.691367 0.845683 0.864677 O\n0.668409 0.834204 0.244775 O\n0.845684 0.154317 0.364677 O\n0.154317 0.845683 0.864677 O\n0.154317 0.308634 0.864677 O\n0.308634 0.154317 0.364677 O\n0.834205 0.668408 0.744775 O\n0.165797 0.834204 0.244775 O\n0.973503 0.486751 0.628268 O\n0.331592 0.165796 0.744775 O\n0.834204 0.165796 0.744775 O\n0.165797 0.331592 0.244775 O\n0.845684 0.691366 0.364677 O\n0.486752 0.513249 0.128268 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ru",
"O"
],
"chemical_system": "Ba-Na-O-Ru",
"density": 6.260349819647508,
"density_atomic": 0.07063360698573597,
"volume": 566.3026667755727,
"volume_molar": 8.525885930214685,
"formula_full": "Ba8 Na2 Ru6 O24",
"formula_reduced": "Ba4Na(RuO4)3",
"formula_anonymous": "AB3C4D12",
"energy_above_hull": 2.470446819,
"spacegroup": 186
},
{
"id": "jvasp-8108",
"created_at": "2022-09-04T14:36:39.603493Z",
"updated_at": "2022-09-04T14:36:39.603511Z",
"structure_string": "Pr2 Cu2 S2 O2\n1.0\n3.975071 0.000000 0.000000\n0.000000 3.975071 0.000000\n0.000000 0.000000 8.474469\nPr Cu S O\n2 2 2 2\ndirect\n0.500000 0.000000 0.852341 Pr\n0.000000 0.500000 0.147660 Pr\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.665400 S\n0.500000 0.000000 0.334600 S\n0.500000 0.500000 0.000000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Pr",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-O-Pr-S",
"density": 6.262810116817501,
"density_atomic": 0.05974309415055394,
"volume": 133.9066901998718,
"volume_molar": 10.080061713616757,
"formula_full": "Pr2 Cu2 S2 O2",
"formula_reduced": "PrCuSO",
"formula_anonymous": "ABCD",
"energy_above_hull": 0.8653434499999999,
"spacegroup": 129
},
{
"id": "jvasp-48916",
"created_at": "2022-09-04T14:36:13.546311Z",
"updated_at": "2022-09-04T14:36:13.546335Z",
"structure_string": "Li4 Mn4 O4 F8\n1.0\n4.880878 0.000000 0.000000\n0.000000 5.159528 0.000000\n0.000000 0.000000 8.424193\nLi Mn O F\n4 4 4 8\ndirect\n0.000000 0.000000 0.786097 Li\n0.000000 0.500000 0.180150 Li\n0.500000 0.500000 0.286097 Li\n0.500000 0.000000 0.680150 Li\n0.000000 0.000000 0.428501 Mn\n0.000000 0.500000 0.593942 Mn\n0.500000 0.500000 0.928501 Mn\n0.500000 0.000000 0.093942 Mn\n0.183021 0.817149 0.586129 O\n0.316979 0.317148 0.086129 O\n0.683021 0.682852 0.086129 O\n0.816979 0.182852 0.586129 O\n0.764294 0.650278 0.413913 F\n0.772727 0.167806 0.255612 F\n0.727273 0.667806 0.755612 F\n0.735707 0.150278 0.913912 F\n0.264294 0.849723 0.913912 F\n0.272727 0.332194 0.755612 F\n0.227273 0.832194 0.255612 F\n0.235707 0.349723 0.413913 F\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O",
"density": 3.627968804563651,
"density_atomic": 0.09427439663583541,
"volume": 212.1466772919938,
"volume_molar": 6.387885762093412,
"formula_full": "Li4 Mn4 O4 F8",
"formula_reduced": "LiMnOF2",
"formula_anonymous": "ABCD2",
"energy_above_hull": 1.012626261275862,
"spacegroup": 34
},
{
"id": "jvasp-100120",
"created_at": "2022-09-04T14:36:15.534349Z",
"updated_at": "2022-09-04T14:36:15.534370Z",
"structure_string": "Rb2 Al1 In1 F6\n1.0\n5.434192 -0.000000 3.137433\n1.811398 5.123405 3.137433\n-0.000000 -0.000000 6.274864\nRb Al In F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750001 0.749999 Rb\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.499999 In\n0.206869 0.206869 0.793130 F\n0.206869 0.793132 0.793130 F\n0.793131 0.793132 0.206868 F\n0.206869 0.793132 0.206868 F\n0.793131 0.206869 0.793130 F\n0.793131 0.206869 0.206868 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Al",
"In",
"F"
],
"chemical_system": "Al-F-In-Rb",
"density": 4.0560170152638655,
"density_atomic": 0.057240315122543475,
"volume": 174.70204310705495,
"volume_molar": 10.520802946502728,
"formula_full": "Rb2 Al1 In1 F6",
"formula_reduced": "Rb2AlInF6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-95278",
"created_at": "2022-09-04T14:36:21.022299Z",
"updated_at": "2022-09-04T14:36:21.022324Z",
"structure_string": "Nd2 C1 N2 O2\n1.0\n3.906078 -0.000000 -0.000000\n-1.953039 3.382762 -0.000000\n0.000000 0.000000 8.385194\nNd C N O\n2 1 2 2\ndirect\n0.666667 0.333333 0.819124 Nd\n0.333333 0.666667 0.180875 Nd\n-0.000000 -0.000000 0.500000 C\n-0.000000 -0.000000 0.352715 N\n-0.000000 -0.000000 0.647285 N\n0.666667 0.333333 0.103345 O\n0.333333 0.666667 0.896655 O\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Nd",
"C",
"N",
"O"
],
"chemical_system": "C-N-Nd-O",
"density": 5.403027888585573,
"density_atomic": 0.06317897421813175,
"volume": 110.79635411350299,
"volume_molar": 9.531874859518858,
"formula_full": "Nd2 C1 N2 O2",
"formula_reduced": "Nd2C(NO)2",
"formula_anonymous": "AB2C2D2",
"energy_above_hull": 3.664515214285714,
"spacegroup": 164
},
{
"id": "jvasp-28570",
"created_at": "2022-09-04T14:36:21.289035Z",
"updated_at": "2022-09-04T14:36:21.289063Z",
"structure_string": "Te2 W3 Se2 S2\n1.0\n3.353219 0.000000 -0.000000\n-1.676610 2.904019 0.001291\n0.000000 -0.002903 20.673307\nTe W Se S\n2 3 2 2\ndirect\n0.666480 0.332957 0.574765 Te\n0.666267 0.332532 0.759570 Te\n0.333378 0.666756 0.032938 W\n0.333040 0.666080 0.667200 W\n0.666894 0.333787 0.340807 W\n0.666813 0.333625 -0.047971 Se\n0.666611 0.333222 0.113881 Se\n0.333490 0.666981 0.414534 S\n0.333631 0.667261 0.267116 S\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Te",
"W",
"Se",
"S"
],
"chemical_system": "S-Se-Te-W",
"density": 8.485863388185914,
"density_atomic": 0.0447065499871707,
"volume": 201.31278308397097,
"volume_molar": 13.470376850211334,
"formula_full": "Te2 W3 Se2 S2",
"formula_reduced": "Te2W3(SeS)2",
"formula_anonymous": "A2B2C2D3",
"energy_above_hull": 4.188034696296296,
"spacegroup": 156
},
{
"id": "jvasp-47552",
"created_at": "2022-09-04T14:36:35.036654Z",
"updated_at": "2022-09-04T14:36:35.036669Z",
"structure_string": "Li2 V2 Si2 O8\n1.0\n-0.000000 3.897442 3.897442\n4.197291 -0.091294 3.988737\n4.197291 3.988737 -0.091294\nLi V Si O\n2 2 2 8\ndirect\n0.006042 0.993960 0.993960 Li\n0.243960 0.256040 0.256040 Li\n0.625001 0.625000 0.125000 V\n0.625001 0.125000 0.625000 V\n0.625001 0.625000 0.625000 Si\n0.125001 0.625000 0.625000 Si\n0.831157 0.411425 0.411425 O\n0.345993 0.411425 0.411425 O\n0.380316 0.830594 0.408776 O\n0.869686 0.841224 0.419406 O\n0.869686 0.419406 0.841224 O\n0.380316 0.408776 0.830594 O\n0.418845 0.838574 0.838574 O\n0.904009 0.838574 0.838574 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"V",
"Si",
"O"
],
"chemical_system": "Li-O-Si-V",
"density": 3.7310282985193095,
"density_atomic": 0.10487834757233605,
"volume": 133.48799179300576,
"volume_molar": 5.742024831051467,
"formula_full": "Li2 V2 Si2 O8",
"formula_reduced": "LiVSiO4",
"formula_anonymous": "ABCD4",
"energy_above_hull": 2.538040971428572,
"spacegroup": 74
},
{
"id": "jvasp-90191",
"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Rb",
"Mn",
"Cl",
"O"
],
"chemical_system": "Cl-Mn-O-Rb",
"density": 3.070774288322786,
"density_atomic": 0.04164127906347061,
"volume": 216.1316895737518,
"volume_molar": 14.461949525663975,
"formula_full": "Rb2 Mn1 Cl4 O2",
"formula_reduced": "Rb2Mn(Cl2O)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 0.8438589457088121,
"spacegroup": 2
},
{
"id": "jvasp-48878",
"created_at": "2022-09-04T14:36:20.976226Z",
"updated_at": "2022-09-04T14:36:20.976250Z",
"structure_string": "Li7 Ni1 O4 F2\n1.0\n5.399724 0.024358 -0.001948\n-1.953829 4.985487 0.036055\n-2.579698 -1.156188 4.746840\nLi Ni O F\n7 1 4 2\ndirect\n0.590252 0.127533 0.311272 Li\n0.751217 0.520618 0.701540 Li\n0.115275 0.197779 0.639276 Li\n0.313029 0.651512 0.984244 Li\n0.901104 0.764745 0.358651 Li\n0.169864 0.455568 0.297695 Li\n0.459137 0.933553 0.682952 Li\n0.013414 0.000283 0.002577 Ni\n0.856201 0.218227 0.763621 O\n0.874208 0.083574 0.227345 O\n0.124307 0.878308 0.767267 O\n0.207982 0.813494 0.254542 O\n0.543589 0.471912 0.289454 F\n0.414984 0.543870 0.711533 F\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 2.7105639320776724,
"density_atomic": 0.10919975009963061,
"volume": 128.20542159873824,
"volume_molar": 5.514793536162472,
"formula_full": "Li7 Ni1 O4 F2",
"formula_reduced": "Li7Ni(O2F)2",
"formula_anonymous": "AB2C4D7",
"energy_above_hull": 1.1946397832142857,
"spacegroup": 1
},
{
"id": "jvasp-19270",
"created_at": "2022-09-04T14:36:35.055649Z",
"updated_at": "2022-09-04T14:36:35.055670Z",
"structure_string": "Mg4 Nb4 Co2 O16\n1.0\n-5.161311 0.000146 -0.020459\n-0.000322 -5.982241 -0.002007\n0.121360 2.987799 9.464683\nMg Nb Co O\n4 4 2 16\ndirect\n0.753635 0.588176 0.457932 Mg\n0.747703 0.129803 0.541146 Mg\n0.247710 0.411432 0.541157 Mg\n0.253644 0.869813 0.457955 Mg\n0.748126 0.716824 0.771543 Nb\n0.753226 0.944799 0.227548 Nb\n0.253214 0.282803 0.227548 Nb\n0.248107 0.054829 0.771551 Nb\n0.250675 0.639203 0.999548 Co\n0.750652 0.360433 0.999542 Co\n0.888111 0.453009 0.618817 O\n0.613226 0.833716 0.380271 O\n0.113231 0.546609 0.380278 O\n0.388112 0.165895 0.618823 O\n0.043962 0.084094 0.373803 O\n0.457373 0.709865 0.625289 O\n0.081998 0.321347 0.884501 O\n0.910459 0.183102 0.135944 O\n0.919331 0.678287 0.114590 O\n0.582009 0.563280 0.884502 O\n0.590866 0.046722 0.863153 O\n0.957372 0.915525 0.625297 O\n0.410468 0.952911 0.135942 O\n0.090877 0.816535 0.863157 O\n0.419314 0.436358 0.114589 O\n0.543961 0.289756 0.373807 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Mg",
"Nb",
"Co",
"O"
],
"chemical_system": "Co-Mg-Nb-O",
"density": 4.7891817623551205,
"density_atomic": 0.088983889745176,
"volume": 292.1877215578735,
"volume_molar": 6.767675336789233,
"formula_full": "Mg4 Nb4 Co2 O16",
"formula_reduced": "Mg2Nb2CoO8",
"formula_anonymous": "AB2C2D8",
"energy_above_hull": 2.8157173692307693,
"spacegroup": 15
},
{
"id": "jvasp-48172",
"created_at": "2022-09-04T14:36:08.859022Z",
"updated_at": "2022-09-04T14:36:08.859050Z",
"structure_string": "Li5 Ti2 Co5 O12\n1.0\n5.028144 0.007586 -0.001870\n-2.515833 -4.408964 0.010575\n-1.888921 0.059361 -9.548883\nLi Ti Co O\n5 2 5 12\ndirect\n0.332049 0.157523 0.993577 Li\n0.819828 0.148275 0.506137 Li\n0.176076 0.858579 0.503614 Li\n0.918208 0.835455 0.749995 Li\n0.687664 0.868234 0.996904 Li\n0.253422 0.505498 0.750068 Ti\n0.753262 0.506071 0.250120 Ti\n0.405345 0.818896 0.245502 Co\n0.499431 0.504993 0.499583 Co\n0.582794 0.165510 0.750015 Co\n0.100447 0.194361 0.254125 Co\n0.011651 0.515671 0.000705 Co\n0.524004 0.829423 0.633825 O\n0.228748 0.182411 0.633464 O\n0.479573 0.183031 0.369470 O\n0.118542 0.511550 0.377234 O\n0.613640 0.479423 0.864953 O\n0.308660 0.833497 0.866349 O\n0.955561 0.187827 0.866567 O\n0.026986 0.832564 0.128166 O\n0.389283 0.504158 0.122696 O\n0.711182 0.185903 0.131119 O\n0.863652 0.475907 0.635078 O\n0.797228 0.829641 0.370677 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.844562140467135,
"density_atomic": 0.11346520304225868,
"volume": 211.51859210141723,
"volume_molar": 5.307478062465661,
"formula_full": "Li5 Ti2 Co5 O12",
"formula_reduced": "Li5Ti2Co5O12",
"formula_anonymous": "A2B5C5D12",
"energy_above_hull": 2.9217138819444446,
"spacegroup": 5
}
]
}