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{
"count": 55712,
"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4502",
"previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=4500",
"results": [
{
"id": "jvasp-12450",
"created_at": "2022-09-04T14:37:20.144715Z",
"updated_at": "2022-09-04T14:37:20.144732Z",
"structure_string": "Pb2 C4 O8\n1.0\n-5.548317 0.036103 -0.006426\n2.291771 5.215189 -0.017979\n-0.188723 -2.459804 -6.371017\nPb C O\n2 4 8\ndirect\n0.268145 0.088287 0.257166 Pb\n0.731855 0.911714 0.742835 Pb\n0.123484 0.621812 0.494418 C\n0.876517 0.378189 0.505583 C\n0.354180 0.457024 0.955686 C\n0.645820 0.542977 0.044315 C\n0.878304 0.143299 0.433000 O\n0.121696 0.856702 0.567001 O\n0.308704 0.604590 0.873323 O\n0.691296 0.395411 0.126678 O\n0.181188 0.240540 0.974944 O\n0.818813 0.759461 0.025057 O\n0.683766 0.424979 0.585479 O\n0.316235 0.575022 0.414522 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pb",
"C",
"O"
],
"chemical_system": "C-O-Pb",
"density": 5.295375795927752,
"density_atomic": 0.07561386259636406,
"volume": 185.15123443347542,
"volume_molar": 7.964334254615343,
"formula_full": "Pb2 C4 O8",
"formula_reduced": "Pb(CO2)2",
"formula_anonymous": "AB2C4",
"energy_above_hull": 3.3961421171428574,
"spacegroup": 2
},
{
"id": "jvasp-10935",
"created_at": "2022-09-04T14:37:20.155266Z",
"updated_at": "2022-09-04T14:37:20.155283Z",
"structure_string": "Mg1 Cr2 F12\n1.0\n-4.841805 0.038260 0.724383\n2.309128 4.458586 -1.543077\n1.260207 -0.176205 -8.640549\nMg Cr F\n1 2 12\ndirect\n-0.000001 -0.000000 0.500000 Mg\n0.230202 0.751456 0.237316 Cr\n0.769798 0.248544 0.762685 Cr\n0.825126 0.559693 0.200635 F\n0.341804 0.072152 0.694609 F\n0.776600 0.904356 0.865491 F\n0.251131 0.396141 0.364956 F\n0.707066 0.298700 -0.066375 F\n0.193725 0.806994 0.429526 F\n0.223400 0.095644 0.134510 F\n0.748870 0.603859 0.635045 F\n0.174874 0.440307 0.799366 F\n0.658196 0.927848 0.305392 F\n0.292935 0.701301 0.066376 F\n0.806275 0.193006 0.570475 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"F"
],
"chemical_system": "Cr-F-Mg",
"density": 3.212334961363551,
"density_atomic": 0.08144678268338808,
"volume": 184.16933739801863,
"volume_molar": 7.393957823245336,
"formula_full": "Mg1 Cr2 F12",
"formula_reduced": "MgCr2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 0.4025764826666665,
"spacegroup": 2
},
{
"id": "jvasp-12513",
"created_at": "2022-09-04T14:37:26.651891Z",
"updated_at": "2022-09-04T14:37:26.651906Z",
"structure_string": "I4 O12\n1.0\n5.033994 -0.064551 -0.048381\n-1.716998 6.608493 -0.003608\n-0.708478 -1.186999 6.741187\nI O\n4 12\ndirect\n0.003405 0.172141 0.672881 I\n0.996593 0.827858 0.327119 I\n0.797182 0.658957 0.776720 I\n0.202816 0.341043 0.223280 I\n0.225258 0.982895 0.585147 O\n0.774741 0.017105 0.414853 O\n0.792732 0.956955 0.801406 O\n0.207266 0.043044 0.198594 O\n0.842527 0.298858 0.150448 O\n0.157471 0.701142 0.849552 O\n0.784824 0.630741 0.477121 O\n0.215174 0.369259 0.522879 O\n0.267096 0.295750 0.895055 O\n0.732902 0.704249 0.104945 O\n0.257953 0.686598 0.295968 O\n0.742045 0.313401 0.704033 O\n",
"nsites": 16,
"nelements": 2,
"elements": [
"I",
"O"
],
"chemical_system": "I-O",
"density": 5.205684143871986,
"density_atomic": 0.07169556114227613,
"volume": 223.1658382343759,
"volume_molar": 8.399600566692511,
"formula_full": "I4 O12",
"formula_reduced": "IO3",
"formula_anonymous": "AB3",
"energy_above_hull": 1.6900241937500002,
"spacegroup": 2
},
{
"id": "jvasp-42970",
"created_at": "2022-09-04T14:37:27.059933Z",
"updated_at": "2022-09-04T14:37:27.059941Z",
"structure_string": "Mn6 O8 F4\n1.0\n4.564269 -0.043406 0.002946\n0.046435 5.494932 0.062538\n0.050285 0.539108 7.431700\nMn O F\n6 8 4\ndirect\n0.500001 0.499999 0.000000 Mn\n0.537997 0.842117 0.660075 Mn\n0.462005 0.157883 0.339925 Mn\n0.007876 0.325903 0.687661 Mn\n0.992126 0.674096 0.312340 Mn\n0.000000 0.000000 0.000000 Mn\n0.197075 0.293642 0.906041 O\n0.196152 0.953890 0.223616 O\n0.304591 0.457340 0.230472 O\n0.302198 0.127170 0.569090 O\n0.695411 0.542660 0.769528 O\n0.802927 0.706358 0.093959 O\n0.803850 0.046110 0.776385 O\n0.697804 0.872830 0.430911 O\n0.297313 0.803401 0.882617 F\n0.805416 0.371040 0.439144 F\n0.702689 0.196598 0.117384 F\n0.194587 0.628959 0.560856 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.757545100420445,
"density_atomic": 0.09664437845097099,
"volume": 186.24983975794976,
"volume_molar": 6.231237508610099,
"formula_full": "Mn6 O8 F4",
"formula_reduced": "Mn3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy_above_hull": 2.6779684765708813,
"spacegroup": 2
},
{
"id": "jvasp-9540",
"created_at": "2022-09-04T14:37:28.362467Z",
"updated_at": "2022-09-04T14:37:28.362475Z",
"structure_string": "V2 Zn2 F8\n1.0\n-5.066323 -0.098568 0.056424\n-0.131817 -5.456867 0.060924\n1.391651 1.854341 5.393779\nV Zn F\n2 2 8\ndirect\n0.504538 0.000517 0.003712 V\n0.004539 0.500515 0.003713 V\n0.639311 0.694739 0.412928 Zn\n0.369774 0.306302 0.594499 Zn\n0.660414 0.991427 0.709886 F\n0.724610 0.354679 0.149994 F\n0.348663 0.009619 0.297536 F\n0.814807 0.823896 0.190889 F\n0.284467 0.646355 0.857431 F\n0.742971 0.475268 0.660103 F\n0.194270 0.177136 0.816531 F\n0.266111 0.525778 0.347323 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"V",
"Zn",
"F"
],
"chemical_system": "F-V-Zn",
"density": 4.257849864551481,
"density_atomic": 0.07998592997166191,
"volume": 150.02638594377112,
"volume_molar": 7.529000115562292,
"formula_full": "V2 Zn2 F8",
"formula_reduced": "VZnF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0556363666666665,
"spacegroup": 2
},
{
"id": "jvasp-9537",
"created_at": "2022-09-04T14:37:27.578449Z",
"updated_at": "2022-09-04T14:37:27.578475Z",
"structure_string": "Zn2 Ni2 F8\n1.0\n4.948115 0.021815 -0.342049\n0.015187 5.452522 0.447832\n-2.771523 -2.235031 5.109939\nZn Ni F\n2 2 8\ndirect\n0.766635 0.813930 0.519515 Zn\n0.233973 0.189310 0.479601 Zn\n0.000365 0.501701 -0.000419 Ni\n0.500327 0.001697 -0.000440 Ni\n0.097604 0.175065 0.768765 F\n0.439353 0.522350 0.253814 F\n0.902987 0.828233 0.230278 F\n0.893871 0.291745 0.184947 F\n0.561373 0.480851 0.745251 F\n0.506160 -0.054400 0.683265 F\n0.106875 0.711561 0.814152 F\n0.494374 0.057553 0.315784 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Zn",
"Ni",
"F"
],
"chemical_system": "F-Ni-Zn",
"density": 4.8283717169534714,
"density_atomic": 0.0871895458313054,
"volume": 137.63117912344256,
"volume_molar": 6.906952780384538,
"formula_full": "Zn2 Ni2 F8",
"formula_reduced": "ZnNiF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 2
},
{
"id": "jvasp-10248",
"created_at": "2022-09-04T14:37:27.750859Z",
"updated_at": "2022-09-04T14:37:27.750880Z",
"structure_string": "Rb4 Li4 Ge2 O8\n1.0\n5.634077 -0.007477 0.020180\n0.485421 5.725029 -0.002865\n2.421459 0.807526 8.448091\nRb Li Ge O\n4 4 2 8\ndirect\n0.470895 0.848848 0.729184 Rb\n0.529105 0.151152 0.270815 Rb\n0.784684 0.722627 0.022560 Rb\n0.215316 0.277374 0.977440 Rb\n0.072694 0.817505 0.560805 Li\n0.927307 0.182495 0.439194 Li\n0.305420 0.410771 0.579565 Li\n0.694580 0.589229 0.420434 Li\n0.855491 0.315065 0.725042 Ge\n0.144509 0.684936 0.274957 Ge\n0.015256 0.574295 0.722546 O\n0.984745 0.425705 0.277453 O\n0.897526 0.867056 0.393934 O\n0.102474 0.132945 0.606065 O\n0.270884 0.797961 0.077144 O\n0.729117 0.202039 0.922855 O\n0.369717 0.640912 0.388745 O\n0.630284 0.359088 0.611254 O\n",
"nsites": 18,
"nelements": 4,
"elements": [
"Rb",
"Li",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Rb",
"density": 3.9210662334841695,
"density_atomic": 0.0661115188553068,
"volume": 272.26722833875914,
"volume_molar": 9.109064296617047,
"formula_full": "Rb4 Li4 Ge2 O8",
"formula_reduced": "Rb2Li2GeO4",
"formula_anonymous": "AB2C2D4",
"energy_above_hull": 1.086556661111111,
"spacegroup": 2
},
{
"id": "jvasp-41803",
"created_at": "2022-09-04T14:37:28.148335Z",
"updated_at": "2022-09-04T14:37:28.148359Z",
"structure_string": "Ba1 Sb2 F12\n1.0\n4.895663 -0.952938 -0.378070\n-3.343123 5.694543 0.551735\n-2.589657 -0.453898 8.993152\nBa Sb F\n1 2 12\ndirect\n0.276475 0.087315 0.865202 Ba\n0.088398 0.489968 0.584460 Sb\n0.464670 0.684702 0.145939 Sb\n0.045031 0.546155 0.957627 F\n0.507973 0.628378 0.772800 F\n0.792890 0.215355 0.717199 F\n0.022271 0.711298 0.648975 F\n0.184673 0.258175 0.569306 F\n0.436554 0.774513 0.484548 F\n0.662640 0.327348 0.414663 F\n0.890484 0.847426 0.315709 F\n0.116619 0.400162 0.245881 F\n0.368303 0.916450 0.161069 F\n0.760060 0.959302 0.013166 F\n0.530947 0.463438 0.081462 F\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"F"
],
"chemical_system": "Ba-F-Sb",
"density": 4.626828581653299,
"density_atomic": 0.0686485026882839,
"volume": 218.50440159068492,
"volume_molar": 8.77242842039115,
"formula_full": "Ba1 Sb2 F12",
"formula_reduced": "BaSb2F12",
"formula_anonymous": "AB2C12",
"energy_above_hull": 2.666666666678585e-06,
"spacegroup": 2
},
{
"id": "jvasp-41753",
"created_at": "2022-09-04T14:37:28.421840Z",
"updated_at": "2022-09-04T14:37:28.421865Z",
"structure_string": "Rb6 Ge2 P2 Se14\n1.0\n-7.264687 -0.013952 0.017203\n3.596363 9.052565 -0.101900\n-0.074617 -2.336050 -11.700006\nRb Ge P Se\n6 2 2 14\ndirect\n0.933089 0.474256 0.209169 Rb\n0.066913 0.525745 0.790831 Rb\n0.315143 0.125609 0.603558 Rb\n0.684858 0.874392 0.396443 Rb\n0.386551 0.196982 0.986229 Rb\n0.613451 0.803019 0.013771 Rb\n0.601961 0.560705 0.630664 Ge\n0.398041 0.439296 0.369336 Ge\n0.768857 0.072217 0.780482 P\n0.231145 0.927784 0.219518 P\n0.456490 0.922855 0.776461 Se\n0.543511 0.077146 0.223540 Se\n0.466989 0.522407 0.198628 Se\n0.533013 0.477594 0.801373 Se\n0.344465 0.609298 0.533076 Se\n0.655537 0.390703 0.466925 Se\n0.107570 0.772879 0.054350 Se\n0.925572 0.763772 0.632544 Se\n0.037200 0.064528 0.191874 Se\n0.962802 0.935473 0.808126 Se\n0.844664 0.172547 0.627759 Se\n0.892432 0.227122 0.945651 Se\n0.074429 0.236229 0.367456 Se\n0.155338 0.827454 0.372242 Se\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Rb",
"Ge",
"P",
"Se"
],
"chemical_system": "Ge-P-Rb-Se",
"density": 3.9344217724278883,
"density_atomic": 0.03115066555945592,
"volume": 770.4490279410642,
"volume_molar": 19.332302061109424,
"formula_full": "Rb6 Ge2 P2 Se14",
"formula_reduced": "Rb3GePSe7",
"formula_anonymous": "ABC3D7",
"energy_above_hull": 1.030339584722222,
"spacegroup": 2
},
{
"id": "jvasp-46539",
"created_at": "2022-09-04T14:37:28.505070Z",
"updated_at": "2022-09-04T14:37:28.505098Z",
"structure_string": "Li2 Mn2 Al2 O6\n1.0\n5.511335 0.309004 -0.186845\n-2.456007 4.717121 0.222290\n-2.915521 -1.690574 4.843054\nLi Mn Al O\n2 2 2 6\ndirect\n0.316400 0.076351 0.569447 Li\n0.683599 0.923649 0.430553 Li\n0.666642 0.422030 0.261373 Mn\n0.333357 0.577970 0.738627 Mn\n0.008557 0.756691 0.921138 Al\n-0.008557 0.243309 0.078861 Al\n0.015514 0.757381 0.619481 O\n0.706502 0.426140 0.916138 O\n0.283320 0.071929 0.218714 O\n0.716679 0.928070 0.781286 O\n0.293497 0.573860 0.083862 O\n0.984485 0.242618 0.380519 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Al",
"O"
],
"chemical_system": "Al-Li-Mn-O",
"density": 3.5479102037001558,
"density_atomic": 0.0936703400215209,
"volume": 128.10885491867523,
"volume_molar": 6.429079641022339,
"formula_full": "Li2 Mn2 Al2 O6",
"formula_reduced": "LiMnAlO3",
"formula_anonymous": "ABCD3",
"energy_above_hull": 2.1632100902298848,
"spacegroup": 2
},
{
"id": "jvasp-9291",
"created_at": "2022-09-04T14:37:28.507186Z",
"updated_at": "2022-09-04T14:37:28.507210Z",
"structure_string": "Ca4 Cu4 O8\n1.0\n3.862080 0.055655 -0.070601\n-0.615029 6.931492 0.452063\n-1.602343 -1.648001 7.364589\nCa Cu O\n4 4 8\ndirect\n0.894351 0.134798 0.306632 Ca\n0.085414 0.842563 0.701515 Ca\n0.766813 0.714928 0.024973 Ca\n0.212935 0.262446 -0.016829 Ca\n0.602852 0.151957 0.650821 Cu\n0.287224 0.452212 0.639204 Cu\n0.692581 0.525150 0.368951 Cu\n0.376980 0.825414 0.357325 Cu\n0.875197 0.800356 0.351883 O\n0.792960 0.397917 0.147479 O\n0.186798 0.579443 0.860666 O\n0.104616 0.177008 0.656264 O\n0.683679 0.012682 0.851092 O\n0.486693 0.299306 0.452258 O\n0.296106 0.964683 0.157056 O\n0.493088 0.678059 0.555889 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ca",
"Cu",
"O"
],
"chemical_system": "Ca-Cu-O",
"density": 4.518072901030774,
"density_atomic": 0.08024748341238064,
"volume": 199.38319956749584,
"volume_molar": 7.504460581091445,
"formula_full": "Ca4 Cu4 O8",
"formula_reduced": "CaCuO2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.5102769675,
"spacegroup": 2
},
{
"id": "jvasp-9546",
"created_at": "2022-09-04T14:37:28.639999Z",
"updated_at": "2022-09-04T14:37:28.640033Z",
"structure_string": "Mg2 V2 F8\n1.0\n5.061682 -0.015570 -0.001811\n-0.110661 5.471297 0.010203\n-1.794664 -1.946089 5.073571\nMg V F\n2 2 8\ndirect\n0.742302 0.675957 0.483088 Mg\n0.250396 0.323000 0.511920 Mg\n0.496348 0.999484 0.997503 V\n0.996350 0.499488 0.997505 V\n0.150021 0.668072 0.745769 F\n0.288887 0.019015 0.251181 F\n0.842678 0.330894 0.249242 F\n0.338164 0.547629 0.315509 F\n0.703818 0.979944 0.743829 F\n0.217819 0.215338 0.801068 F\n0.654531 0.451335 0.679497 F\n0.774880 0.783634 0.193946 F\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Mg",
"V",
"F"
],
"chemical_system": "F-Mg-V",
"density": 3.5728839830944934,
"density_atomic": 0.08535993477299277,
"volume": 140.5811758398474,
"volume_molar": 7.054996909282269,
"formula_full": "Mg2 V2 F8",
"formula_reduced": "MgVF4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0462235138888889,
"spacegroup": 2
}
]
}