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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-spacegroup&page=3421",
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"results": [
{
"id": "jvasp-42921",
"created_at": "2022-09-04T14:38:10.144435Z",
"updated_at": "2022-09-04T14:38:10.144461Z",
"structure_string": "Li4 Mn2 F10\n1.0\n-0.000000 4.089322 0.000000\n-4.866148 2.044660 0.000000\n-0.000000 -0.000000 9.557294\nLi Mn F\n4 2 10\ndirect\n0.124753 0.750495 0.920730 Li\n0.124753 0.750495 0.579269 Li\n0.875246 0.249505 0.079270 Li\n0.875246 0.249505 0.420730 Li\n0.204990 0.590020 0.250000 Mn\n0.795010 0.409980 0.750000 Mn\n0.068250 0.863500 0.114733 F\n0.068250 0.863500 0.385266 F\n0.667262 0.665475 0.899561 F\n0.667262 0.665475 0.600438 F\n0.241333 0.517335 0.750000 F\n0.758667 0.482666 0.250000 F\n0.332737 0.334525 0.399561 F\n0.332737 0.334525 0.100439 F\n0.931749 0.136501 0.614733 F\n0.931749 0.136501 0.885266 F\n",
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{
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"updated_at": "2022-09-04T14:38:10.391922Z",
"structure_string": "Nd2 Au2\n1.0\n-3.905207 0.000000 0.000000\n0.000000 0.000000 -4.757646\n-1.952603 -5.636894 0.000000\nNd Au\n2 2\ndirect\n0.136686 0.750001 0.726626 Nd\n0.863314 0.250000 0.273373 Nd\n0.411315 0.750001 0.177370 Au\n0.588686 0.250000 0.822629 Au\n",
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{
"id": "jvasp-46038",
"created_at": "2022-09-04T14:38:10.642184Z",
"updated_at": "2022-09-04T14:38:10.642208Z",
"structure_string": "Tb6 Sb2 O14\n1.0\n5.296429 3.708484 0.000000\n-5.296429 3.708484 0.000000\n0.000000 -0.000000 7.519291\nTb Sb O\n6 2 14\ndirect\n0.057131 0.514493 0.250000 Tb\n0.485506 0.942868 0.750000 Tb\n0.000000 0.000000 0.000000 Tb\n0.000000 0.000000 0.500000 Tb\n0.942868 0.485506 0.750000 Tb\n0.514493 0.057131 0.250000 Tb\n0.499999 0.499999 0.500000 Sb\n0.499999 0.499999 0.000000 Sb\n0.437104 0.178809 0.965317 O\n0.821190 0.562895 0.465317 O\n0.437104 0.178809 0.534683 O\n0.821190 0.562895 0.034683 O\n0.409690 0.409690 0.250000 O\n0.590309 0.590309 0.750000 O\n0.178809 0.437104 0.534683 O\n0.562895 0.821190 0.465317 O\n0.562895 0.821190 0.034683 O\n0.848216 0.114652 0.750000 O\n0.151783 0.885347 0.250000 O\n0.114652 0.848216 0.750000 O\n0.178809 0.437104 0.965317 O\n0.885347 0.151783 0.250000 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "O-Sb-Tb",
"density": 7.98870144008349,
"density_atomic": 0.07447941008733845,
"volume": 295.3836499806007,
"volume_molar": 8.085645083571585,
"formula_full": "Tb6 Sb2 O14",
"formula_reduced": "Tb3SbO7",
"formula_anonymous": "AB3C7",
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"spacegroup": 63
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{
"id": "jvasp-9383",
"created_at": "2022-09-04T14:38:10.708456Z",
"updated_at": "2022-09-04T14:38:10.708479Z",
"structure_string": "Na4 S2 O8\n1.0\n5.267265 0.019600 0.000000\n-2.285746 4.745507 0.000000\n0.000000 0.000000 6.952566\nNa S O\n4 2 8\ndirect\n0.189661 0.810340 0.750000 Na\n0.810340 0.189661 0.250000 Na\n0.500000 0.500000 0.500000 Na\n0.500000 0.500000 0.000000 Na\n0.850513 0.149488 0.750000 S\n0.149487 0.850513 0.250000 S\n0.245187 0.754814 0.076706 O\n0.754814 0.245187 0.576707 O\n0.754814 0.245187 0.923294 O\n0.245187 0.754814 0.423294 O\n0.164716 0.266902 0.750000 O\n0.835284 0.733099 0.250000 O\n0.733098 0.835284 0.750000 O\n0.266902 0.164716 0.250000 O\n",
"nsites": 14,
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"elements": [
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"O"
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"density_atomic": 0.0804150672110695,
"volume": 174.09672696353644,
"volume_molar": 7.488821397355027,
"formula_full": "Na4 S2 O8",
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"formula_anonymous": "AB2C4",
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"spacegroup": 63
},
{
"id": "jvasp-18021",
"created_at": "2022-09-04T14:38:10.824710Z",
"updated_at": "2022-09-04T14:38:10.824734Z",
"structure_string": "Ce2 Pt2\n1.0\n3.622780 0.000000 -1.297453\n0.000000 4.402872 -0.000000\n0.057745 -0.000000 5.867771\nCe Pt\n2 2\ndirect\n0.863765 0.250000 0.727533 Ce\n0.136233 0.750000 0.272467 Ce\n0.596599 0.250000 0.193199 Pt\n0.403399 0.750000 0.806800 Pt\n",
"nsites": 4,
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"elements": [
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"volume": 93.9245524524462,
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"formula_full": "Ce2 Pt2",
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"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-46365",
"created_at": "2022-09-04T14:38:10.892941Z",
"updated_at": "2022-09-04T14:38:10.892976Z",
"structure_string": "Mg2 Fe4 O10\n1.0\n1.860909 4.669624 -0.000000\n-1.860909 4.669624 -0.000000\n0.000000 0.000000 9.568815\nMg Fe O\n2 4 10\ndirect\n0.205325 0.205325 0.250000 Mg\n0.794674 0.794674 0.750000 Mg\n0.138517 0.138517 0.558166 Fe\n0.138517 0.138517 0.941833 Fe\n0.861482 0.861482 0.058167 Fe\n0.861482 0.861482 0.441833 Fe\n0.045791 0.045791 0.111392 O\n0.045791 0.045791 0.388608 O\n0.317524 0.317524 0.050756 O\n0.317524 0.317524 0.449244 O\n0.785880 0.785880 0.250000 O\n0.214119 0.214119 0.750000 O\n0.682476 0.682476 0.550756 O\n0.954208 0.954208 0.611391 O\n0.682476 0.682476 0.949244 O\n0.954208 0.954208 0.888608 O\n",
"nsites": 16,
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"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.31341810080339,
"density_atomic": 0.09621101140318766,
"volume": 166.30113088562635,
"volume_molar": 6.259305117127659,
"formula_full": "Mg2 Fe4 O10",
"formula_reduced": "MgFe2O5",
"formula_anonymous": "AB2C5",
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"spacegroup": 63
},
{
"id": "jvasp-14332",
"created_at": "2022-09-04T14:38:10.995393Z",
"updated_at": "2022-09-04T14:38:10.995418Z",
"structure_string": "Mn6 As2\n1.0\n3.461756 -0.000000 -0.804980\n0.000000 3.560710 -0.000000\n0.001444 0.000000 7.852207\nMn As\n6 2\ndirect\n0.947239 0.250000 0.894478 Mn\n0.052760 0.750000 0.105522 Mn\n0.550758 0.250000 0.101514 Mn\n0.449242 0.750000 0.898486 Mn\n0.314936 0.250000 0.629872 Mn\n0.685064 0.750000 0.370129 Mn\n0.162606 0.250000 0.325214 As\n0.837394 0.750000 0.674787 As\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "As-Mn",
"density": 8.225617281201842,
"density_atomic": 0.08265071558464909,
"volume": 96.79287037517021,
"volume_molar": 7.286253624546362,
"formula_full": "Mn6 As2",
"formula_reduced": "Mn3As",
"formula_anonymous": "AB3",
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"spacegroup": 63
},
{
"id": "jvasp-11118",
"created_at": "2022-09-04T14:38:11.102893Z",
"updated_at": "2022-09-04T14:38:11.102921Z",
"structure_string": "Nd2 Lu2 Se6\n1.0\n4.014878 0.000000 -0.000000\n-2.007440 6.525063 -0.000000\n-0.000000 -0.000000 9.922466\nNd Lu Se\n2 2 6\ndirect\n0.747950 0.495899 0.750000 Nd\n0.252050 0.504101 0.250000 Nd\n0.000000 0.000000 0.000000 Lu\n0.000000 0.000000 0.500000 Lu\n0.914944 0.829888 0.250000 Se\n0.085056 0.170111 0.750000 Se\n0.356778 0.713556 0.562037 Se\n0.643222 0.286443 0.437964 Se\n0.356778 0.713556 0.937964 Se\n0.643222 0.286443 0.062036 Se\n",
"nsites": 10,
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],
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"volume": 259.942134942589,
"volume_molar": 15.654081260791854,
"formula_full": "Nd2 Lu2 Se6",
"formula_reduced": "NdLuSe3",
"formula_anonymous": "ABC3",
"energy_above_hull": 1.1297494699999997,
"spacegroup": 63
},
{
"id": "jvasp-12778",
"created_at": "2022-09-04T14:38:11.302675Z",
"updated_at": "2022-09-04T14:38:11.302712Z",
"structure_string": "Tl2 Pb2 I6\n1.0\n4.638790 0.000000 0.000000\n-2.319395 7.505669 0.000000\n0.000000 -0.000000 11.895470\nTl Pb I\n2 2 6\ndirect\n0.247727 0.495456 0.750000 Tl\n0.752271 0.504544 0.250000 Tl\n0.000000 0.000000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.079917 0.159833 0.250000 I\n0.920082 0.840167 0.750000 I\n0.644368 0.288737 0.557896 I\n0.355631 0.711263 0.442104 I\n0.644368 0.288737 0.942104 I\n0.355631 0.711263 0.057896 I\n",
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],
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"density": 6.353180865561171,
"density_atomic": 0.024144836761577464,
"volume": 414.16722335904774,
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"formula_full": "Tl2 Pb2 I6",
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"formula_anonymous": "ABC3",
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"spacegroup": 63
},
{
"id": "jvasp-47130",
"created_at": "2022-09-04T14:38:11.238972Z",
"updated_at": "2022-09-04T14:38:11.238995Z",
"structure_string": "Li2 Fe2 P2 O8\n1.0\n2.825960 4.129216 -0.000000\n-2.825960 4.129216 -0.000000\n0.000000 0.000000 6.199725\nLi Fe P O\n2 2 2 8\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.183107 0.183107 0.250000 Fe\n0.816894 0.816894 0.750001 Fe\n0.146017 0.146017 0.750001 P\n0.853984 0.853984 0.250000 P\n0.188173 0.748805 0.250000 O\n0.251196 0.811828 0.750001 O\n0.256536 0.256536 0.547875 O\n0.256536 0.256536 0.952127 O\n0.743465 0.743465 0.047874 O\n0.743465 0.743465 0.452126 O\n0.748805 0.188173 0.250000 O\n0.811828 0.251196 0.750001 O\n",
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"formula_anonymous": "ABCD4",
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"spacegroup": 63
},
{
"id": "jvasp-10792",
"created_at": "2022-09-04T14:38:11.399522Z",
"updated_at": "2022-09-04T14:38:11.399546Z",
"structure_string": "K2 Ho4 Cu2 S8\n1.0\n3.928993 0.000000 -0.000000\n-1.964497 6.666734 -0.000000\n-0.000000 0.000000 13.641571\nK Ho Cu S\n2 4 2 8\ndirect\n0.889322 0.778646 0.250000 K\n0.110677 0.221354 0.750000 K\n0.365929 0.731859 0.936442 Ho\n0.634069 0.268141 0.436442 Ho\n0.365929 0.731859 0.563558 Ho\n0.634069 0.268141 0.063558 Ho\n0.837966 0.675932 0.750000 Cu\n0.162033 0.324067 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.264527 0.529057 0.110749 S\n0.735471 0.470943 0.889251 S\n0.433988 0.867977 0.750000 S\n0.264527 0.529057 0.389251 S\n0.566010 0.132022 0.250000 S\n0.735471 0.470943 0.610749 S\n",
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"volume": 357.32118869424255,
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"formula_full": "K2 Ho4 Cu2 S8",
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"formula_anonymous": "ABC2D4",
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{
"id": "jvasp-91748",
"created_at": "2022-09-04T14:38:11.495923Z",
"updated_at": "2022-09-04T14:38:11.495942Z",
"structure_string": "Li2 Tb2 Sn4\n1.0\n-4.414790 -0.000000 0.000000\n-0.000000 0.000000 -4.478359\n2.207396 -9.442616 0.000000\nTb Li Sn\n2 2 4\ndirect\n0.892448 0.750000 0.784897 Tb\n0.107551 0.250000 0.215103 Tb\n0.675096 0.750000 0.350191 Li\n0.324904 0.250000 0.649809 Li\n0.545540 0.750000 0.091080 Sn\n0.454459 0.250000 0.908920 Sn\n0.251054 0.750000 0.502108 Sn\n0.748946 0.250000 0.497892 Sn\n",
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"density_atomic": 0.042851763858831424,
"volume": 186.69009813352784,
"volume_molar": 14.053425618228973,
"formula_full": "Li2 Tb2 Sn4",
"formula_reduced": "LiTbSn2",
"formula_anonymous": "ABC2",
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"spacegroup": 63
}
]
}