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=142",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nelements&page=140",
"results": [
{
"id": "jvasp-29173",
"created_at": "2022-09-04T14:38:34.721409Z",
"updated_at": "2022-09-04T14:38:34.721429Z",
"structure_string": "Mo1 W3 Se4 S4\n1.0\n3.263586 -0.000000 0.000000\n-1.631793 2.826385 -0.000029\n0.000000 -0.000379 36.598805\nMo W Se S\n1 3 4 4\ndirect\n0.333305 0.666607 0.093905 Mo\n0.333314 0.666626 0.469698 W\n0.666691 0.333380 0.281797 W\n0.666692 0.333383 0.657530 W\n0.666643 0.333282 0.047838 Se\n0.666644 0.333285 0.422999 Se\n0.666647 0.333289 0.140293 Se\n0.666646 0.333288 0.516299 Se\n0.333358 0.666716 0.324313 S\n0.333357 0.666713 0.699754 S\n0.333357 0.666712 0.239277 S\n0.333354 0.666708 0.615042 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Mo",
"W",
"Se",
"S"
],
"chemical_system": "Mo-S-Se-W",
"density": 5.369123872688637,
"density_atomic": 0.035545772725692884,
"volume": 337.5928860121886,
"volume_molar": 16.941932326166956,
"formula_full": "Mo1 W3 Se4 S4",
"formula_reduced": "MoW3(SeS)4",
"formula_anonymous": "AB3C4D4",
"energy_above_hull": 4.303559947222222,
"spacegroup": 156
},
{
"id": "jvasp-113066",
"created_at": "2022-09-04T14:38:44.936515Z",
"updated_at": "2022-09-04T14:38:44.936542Z",
"structure_string": "Pr6 Mg1 Ge2 S14\n1.0\n10.282873 0.000000 0.000000\n-5.141436 8.905229 0.000000\n-0.000000 -0.000000 5.808784\nPr Mg Ge S\n6 1 2 14\ndirect\n0.230275 0.357765 0.241938 Pr\n0.127490 0.769725 0.241938 Pr\n0.642234 0.872510 0.241938 Pr\n0.770955 0.642678 0.750492 Pr\n0.871722 0.229044 0.750492 Pr\n0.357322 0.128278 0.750492 Pr\n0.000000 0.000000 0.481252 Mg\n0.333333 0.666667 0.822349 Ge\n0.666666 0.333333 0.332369 Ge\n0.583731 0.103493 0.484019 S\n0.104063 0.519397 0.977062 S\n0.480603 0.584666 0.977062 S\n0.415334 0.895936 0.977062 S\n0.666666 0.333333 0.953558 S\n0.333333 0.666667 0.444498 S\n0.839872 0.752314 0.240593 S\n0.752333 0.910028 0.718781 S\n0.089972 0.842306 0.718781 S\n0.519761 0.416268 0.484019 S\n0.247686 0.087560 0.240593 S\n0.912440 0.160127 0.240593 S\n0.157694 0.247666 0.718781 S\n0.896506 0.480239 0.484019 S\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Pr",
"Mg",
"Ge",
"S"
],
"chemical_system": "Ge-Mg-Pr-S",
"density": 4.570122595946953,
"density_atomic": 0.04323973708047117,
"volume": 531.9181279293148,
"volume_molar": 13.927329735591396,
"formula_full": "Pr6 Mg1 Ge2 S14",
"formula_reduced": "Pr6Mg(GeS7)2",
"formula_anonymous": "AB2C6D14",
"energy_above_hull": 1.9949056543478263,
"spacegroup": 143
},
{
"id": "jvasp-110719",
"created_at": "2022-09-04T14:38:37.648129Z",
"updated_at": "2022-09-04T14:38:37.648153Z",
"structure_string": "Rb2 Y1 In1 Br6\n1.0\n7.182883 -0.000000 4.147039\n2.394294 6.772087 4.147039\n-0.000000 -0.000000 8.294079\nRb Y In Br\n2 1 1 6\ndirect\n0.749999 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Y\n0.499999 0.500000 0.500000 In\n0.763483 0.236516 0.236516 Br\n0.236516 0.236516 0.763484 Br\n0.236515 0.763484 0.763484 Br\n0.236515 0.763484 0.236516 Br\n0.763483 0.236516 0.763484 Br\n0.763483 0.763484 0.236517 Br\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Rb",
"Y",
"In",
"Br"
],
"chemical_system": "Br-In-Rb-Y",
"density": 3.5152799334585527,
"density_atomic": 0.024786232044897452,
"volume": 403.44978542467175,
"volume_molar": 24.2963139741917,
"formula_full": "Rb2 Y1 In1 Br6",
"formula_reduced": "Rb2YInBr6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-26919",
"created_at": "2022-09-04T14:38:36.328192Z",
"updated_at": "2022-09-04T14:38:36.328212Z",
"structure_string": "K8 Na4 In4 Sb8\n1.0\n7.022898 -0.000000 -0.000000\n0.000000 10.708398 -1.663289\n-0.000000 0.012551 10.836798\nK Na In Sb\n8 4 4 8\ndirect\n0.750000 0.422939 0.077061 K\n0.250000 0.077061 0.422939 K\n0.250000 0.577061 0.922939 K\n0.750000 0.922939 0.577061 K\n0.778034 0.326856 0.673144 K\n0.278034 0.173144 0.826856 K\n0.221966 0.673144 0.326856 K\n0.721966 0.826856 0.173144 K\n0.000000 0.618830 0.618830 Na\n0.500000 0.881170 0.881170 Na\n0.000000 0.381170 0.381170 Na\n0.500000 0.118830 0.118830 Na\n0.000000 0.132396 0.132396 In\n0.500000 0.367604 0.367604 In\n0.000000 0.867604 0.867604 In\n0.500000 0.632396 0.632396 In\n0.208833 0.892928 0.107072 Sb\n0.750000 0.642186 0.857814 Sb\n0.250000 0.857814 0.642186 Sb\n0.250000 0.357813 0.142187 Sb\n0.750000 0.142187 0.357813 Sb\n0.791167 0.107072 0.892928 Sb\n0.291167 0.392928 0.607072 Sb\n0.708833 0.607072 0.392928 Sb\n",
"nsites": 24,
"nelements": 4,
"elements": [
"K",
"Na",
"In",
"Sb"
],
"chemical_system": "In-K-Na-Sb",
"density": 3.744533088632897,
"density_atomic": 0.029443625002978688,
"volume": 815.1170244007666,
"volume_molar": 20.453122736724048,
"formula_full": "K8 Na4 In4 Sb8",
"formula_reduced": "K2NaInSb2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 64
},
{
"id": "jvasp-38758",
"created_at": "2022-09-04T14:38:36.328661Z",
"updated_at": "2022-09-04T14:38:36.328686Z",
"structure_string": "Li4 Yb8 In4 Ge8\n1.0\n4.377306 -0.000000 0.000000\n0.000000 7.142305 0.000000\n0.000000 0.000000 16.615468\nYb Li In Ge\n8 4 4 8\ndirect\n0.750001 0.985127 0.279536 Yb\n0.250000 0.514874 0.779536 Yb\n0.750001 0.485127 0.220464 Yb\n0.250000 0.014873 0.720464 Yb\n0.750001 0.843156 0.062117 Yb\n0.250000 0.656845 0.562117 Yb\n0.750001 0.343155 0.437883 Yb\n0.250000 0.156845 0.937883 Yb\n0.750001 0.490269 0.933071 Li\n0.250000 0.009732 0.433070 Li\n0.750001 0.990269 0.566930 Li\n0.250000 0.509732 0.066930 Li\n0.750001 0.844610 0.846739 In\n0.250000 0.655391 0.346739 In\n0.750001 0.344610 0.653261 In\n0.250000 0.155391 0.153261 In\n0.750001 0.269405 0.060724 Ge\n0.750001 0.731490 0.684229 Ge\n0.250000 0.768511 0.184229 Ge\n0.750001 0.231489 0.815771 Ge\n0.250000 0.268511 0.315771 Ge\n0.750001 0.769406 0.439276 Ge\n0.250000 0.730595 0.939276 Ge\n0.250000 0.230595 0.560724 Ge\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Yb",
"Li",
"In",
"Ge"
],
"chemical_system": "Ge-In-Li-Yb",
"density": 7.839637572138356,
"density_atomic": 0.046201211493805044,
"volume": 519.4668975989531,
"volume_molar": 13.03459490625584,
"formula_full": "Li4 Yb8 In4 Ge8",
"formula_reduced": "LiYb2InGe2",
"formula_anonymous": "ABC2D2",
"energy_above_hull": 0.0,
"spacegroup": 62
},
{
"id": "jvasp-112556",
"created_at": "2022-09-04T14:38:40.701478Z",
"updated_at": "2022-09-04T14:38:40.701496Z",
"structure_string": "Na2 Cd4 Si6 O18\n1.0\n6.842048 0.010690 -1.502120\n-0.186487 6.960511 -0.621067\n-0.014842 -0.007443 7.874888\nNa Cd Si O\n2 4 6 18\ndirect\n0.262450 0.350278 0.565957 Na\n0.737550 0.649722 0.434043 Na\n0.589120 0.149714 0.858295 Cd\n0.410880 0.850286 0.141704 Cd\n0.086405 0.137747 0.851068 Cd\n0.913595 0.862253 0.148932 Cd\n0.735871 0.147416 0.456576 Si\n0.264129 0.852584 0.543424 Si\n0.952500 0.348203 0.217170 Si\n0.405054 0.341755 0.220168 Si\n0.594946 0.658245 0.779832 Si\n0.047500 0.651797 0.782830 Si\n0.210565 0.878124 0.336232 O\n0.848442 0.550906 0.175839 O\n0.151558 0.449095 0.824161 O\n0.497487 0.547532 0.191172 O\n0.502513 0.452468 0.808828 O\n0.708745 0.945899 0.332619 O\n0.291255 0.054101 0.667381 O\n0.789435 0.121876 0.663768 O\n0.107953 0.823990 0.939717 O\n0.091358 0.716299 0.595983 O\n0.533298 0.274212 0.408374 O\n0.466702 0.725788 0.591626 O\n0.892047 0.176010 0.060283 O\n0.809234 0.612481 0.732976 O\n0.389586 0.168414 0.065498 O\n0.610414 0.831586 0.934502 O\n0.908642 0.283701 0.404017 O\n0.190766 0.387519 0.267024 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Na",
"Cd",
"Si",
"O"
],
"chemical_system": "Cd-Na-O-Si",
"density": 4.217666830794068,
"density_atomic": 0.080029503396316,
"volume": 374.861753813919,
"volume_molar": 7.524900823359623,
"formula_full": "Na2 Cd4 Si6 O18",
"formula_reduced": "NaCd2(SiO3)3",
"formula_anonymous": "AB2C3D9",
"energy_above_hull": 2.050833053333333,
"spacegroup": 2
},
{
"id": "jvasp-116837",
"created_at": "2022-09-04T14:38:46.054501Z",
"updated_at": "2022-09-04T14:38:46.054525Z",
"structure_string": "Li1 V4 O5 F7\n1.0\n4.832211 0.014281 1.291029\n2.055395 4.594981 1.550798\n0.000845 0.071365 8.709300\nLi V O F\n1 4 5 7\ndirect\n0.678975 0.527366 0.099116 Li\n0.993058 -0.001825 0.988810 V\n0.546740 0.492148 0.504050 V\n0.762262 0.788565 0.732834 V\n0.214915 0.246841 0.247977 V\n0.164178 0.163937 0.081374 O\n0.736890 0.129504 0.625210 O\n0.684040 0.673796 0.578024 O\n0.826416 0.428229 0.318736 O\n0.820275 0.811189 0.936421 O\n0.262779 0.868305 0.380998 F\n0.747588 0.389437 0.882984 F\n0.670756 0.083396 0.181882 F\n0.326077 0.323853 0.427209 F\n0.317844 0.941266 0.810569 F\n0.257770 0.614192 0.122742 F\n0.188073 0.564773 0.684723 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.6496445840616887,
"density_atomic": 0.08818592818469481,
"volume": 192.77452026581324,
"volume_molar": 6.828913505777647,
"formula_full": "Li1 V4 O5 F7",
"formula_reduced": "LiV4O5F7",
"formula_anonymous": "AB4C5D7",
"energy_above_hull": 1.9825827222058827,
"spacegroup": 1
},
{
"id": "jvasp-111134",
"created_at": "2022-09-04T14:38:37.088547Z",
"updated_at": "2022-09-04T14:38:37.088561Z",
"structure_string": "Co1 H4 Br2 O2\n1.0\n3.729164 0.098574 -0.406935\n-0.720264 5.634212 -0.646686\n0.125496 -0.101553 5.714478\nCo H Br O\n1 4 2 2\ndirect\n0.000000 0.000000 0.000000 Co\n0.846281 0.214595 0.615691 H\n0.153720 0.384310 0.785403 H\n0.846280 0.615689 0.214597 H\n0.153722 0.785404 0.384309 H\n0.438961 0.755280 0.755279 Br\n0.561039 0.244719 0.244721 Br\n0.999999 0.767677 0.232322 O\n1.000000 0.232322 0.767678 O\n",
"nsites": 9,
"nelements": 4,
"elements": [
"Co",
"H",
"Br",
"O"
],
"chemical_system": "Br-Co-H-O",
"density": 3.5115254311293227,
"density_atomic": 0.07470298421541881,
"volume": 120.47711473007509,
"volume_molar": 8.061446036257573,
"formula_full": "Co1 H4 Br2 O2",
"formula_reduced": "CoH4(BrO)2",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 2.311590678888889,
"spacegroup": 12
},
{
"id": "jvasp-113229",
"created_at": "2022-09-04T14:38:45.664479Z",
"updated_at": "2022-09-04T14:38:45.664502Z",
"structure_string": "Li2 Co3 Bi1 O8\n1.0\n5.137304 0.049345 3.432213\n1.860249 4.788925 3.432213\n0.071368 0.049345 6.177936\nLi Co Bi O\n2 3 1 8\ndirect\n0.109696 0.109697 0.109696 Li\n0.890302 0.890306 0.890302 Li\n-0.000000 0.500001 0.500000 Co\n0.499999 0.000001 0.500000 Co\n0.499999 0.500001 -0.000001 Co\n0.499999 0.500001 0.499999 Bi\n0.242486 0.711281 0.242486 O\n0.711279 0.242488 0.242486 O\n0.731726 0.731729 0.731726 O\n0.242487 0.242488 0.711279 O\n0.757512 0.757515 0.288719 O\n0.268273 0.268274 0.268273 O\n0.288720 0.757515 0.757512 O\n0.757512 0.288722 0.757513 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Co",
"Bi",
"O"
],
"chemical_system": "Bi-Co-Li-O",
"density": 5.852714351127986,
"density_atomic": 0.09351567443896938,
"volume": 149.7075231932027,
"volume_molar": 6.439712696431651,
"formula_full": "Li2 Co3 Bi1 O8",
"formula_reduced": "Li2Co3BiO8",
"formula_anonymous": "AB2C3D8",
"energy_above_hull": 2.670723928571429,
"spacegroup": 166
},
{
"id": "jvasp-112163",
"created_at": "2022-09-04T14:38:45.772730Z",
"updated_at": "2022-09-04T14:38:45.772757Z",
"structure_string": "Cd1 H2 C3 O4\n1.0\n3.699509 0.005965 1.263975\n1.878135 4.668641 0.532216\n0.026454 0.013021 5.972551\nCd H C O\n1 2 3 4\ndirect\n0.382450 0.739060 0.499778 Cd\n0.335996 0.054255 0.946244 H\n0.098217 0.423452 0.052987 H\n0.894032 0.322940 0.792790 C\n0.770718 0.155372 0.206435 C\n0.060241 0.238975 0.999603 C\n0.460183 0.347787 0.326821 O\n0.849604 0.887045 0.243167 O\n0.741657 0.591340 0.756034 O\n0.895938 0.130806 0.672398 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cd",
"H",
"C",
"O"
],
"chemical_system": "C-Cd-H-O",
"density": 3.459484361325839,
"density_atomic": 0.09714554707588134,
"volume": 102.9383260582073,
"volume_molar": 6.199090891213003,
"formula_full": "Cd1 H2 C3 O4",
"formula_reduced": "CdH2C3O4",
"formula_anonymous": "AB2C3D4",
"energy_above_hull": 3.624824375,
"spacegroup": 5
},
{
"id": "jvasp-120523",
"created_at": "2022-09-04T14:38:44.932844Z",
"updated_at": "2022-09-04T14:38:44.932868Z",
"structure_string": "La2 Fe4 Pb2 O12\n1.0\n5.486014 -0.000000 0.000000\n0.000000 5.453506 0.000000\n-0.000000 -0.000000 7.687373\nLa Fe Pb O\n2 4 2 12\ndirect\n0.998925 0.749961 0.500000 La\n0.498925 0.250040 -0.000000 La\n0.000049 0.250010 0.749921 Fe\n0.500049 0.749991 0.249921 Fe\n0.000049 0.250010 0.250079 Fe\n0.500049 0.749991 0.750079 Fe\n0.501086 0.249938 0.500000 Pb\n0.001086 0.750062 -0.000000 Pb\n0.031345 0.250002 0.500000 O\n0.457562 0.750003 0.500000 O\n0.252655 0.497315 0.769058 O\n0.252836 0.002863 0.230919 O\n0.752836 -0.002863 0.269081 O\n0.252655 0.497315 0.230942 O\n0.752836 -0.002863 0.730919 O\n0.752654 0.502685 0.269058 O\n0.531345 0.749999 -0.000000 O\n0.252836 0.002863 0.769081 O\n0.752654 0.502685 0.730942 O\n0.957561 0.249998 -0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"La",
"Fe",
"Pb",
"O"
],
"chemical_system": "Fe-La-O-Pb",
"density": 7.996777416891884,
"density_atomic": 0.08695996069345403,
"volume": 229.99090432552958,
"volume_molar": 6.92518799684016,
"formula_full": "La2 Fe4 Pb2 O12",
"formula_reduced": "LaFe2PbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 2.607436782,
"spacegroup": 44
},
{
"id": "jvasp-112384",
"created_at": "2022-09-04T14:38:40.712731Z",
"updated_at": "2022-09-04T14:38:40.712759Z",
"structure_string": "Al1 In3 Cu4 Se8\n1.0\n5.587022 0.000234 1.553120\n2.579133 6.446578 1.547392\n-0.007084 0.034854 10.859953\nAl In Cu Se\n1 3 4 8\ndirect\n0.247302 0.375830 0.124638 Al\n0.252531 0.874192 0.625431 In\n0.500978 0.249735 0.754790 In\n0.498695 0.750545 0.245020 In\n0.748997 0.616678 0.880869 Cu\n0.751637 0.133132 0.368882 Cu\n0.993254 0.001651 0.005518 Cu\n0.006392 0.498133 0.494592 Cu\n0.359896 0.682941 0.050521 Se\n0.381083 0.204187 0.547542 Se\n0.897171 0.424252 0.312914 Se\n0.876636 0.916995 0.831644 Se\n0.103522 0.311485 0.952152 Se\n0.092778 0.815875 0.435102 Se\n0.665783 0.559924 0.686189 Se\n0.623348 0.084437 0.184194 Se\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Al",
"In",
"Cu",
"Se"
],
"chemical_system": "Al-Cu-In-Se",
"density": 5.338980992156057,
"density_atomic": 0.04091574880765878,
"volume": 391.0474686706712,
"volume_molar": 14.718393126102953,
"formula_full": "Al1 In3 Cu4 Se8",
"formula_reduced": "AlIn3(CuSe2)4",
"formula_anonymous": "AB3C4D8",
"energy_above_hull": 0.7214482152083332,
"spacegroup": 1
}
]
}