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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=energy_above_hull&page=544",
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"results": [
{
"id": "jvasp-32759",
"created_at": "2022-09-04T14:37:30.581750Z",
"updated_at": "2022-09-04T14:37:30.581766Z",
"structure_string": "Bi8 Br8\n1.0\n4.260515 0.000012 0.482609\n2.106291 6.754354 0.453266\n-0.067624 0.079003 19.638013\nBi Br\n8 8\ndirect\n0.831462 0.340808 0.996260 Bi\n0.168538 0.659191 0.003740 Bi\n0.827814 0.839772 0.504600 Bi\n0.794873 0.257677 0.152607 Bi\n0.205128 0.742321 0.847393 Bi\n0.172186 0.160227 0.495400 Bi\n0.930107 0.791982 0.347777 Bi\n0.069893 0.208017 0.652223 Bi\n0.862545 0.460959 0.813918 Br\n0.561626 0.501642 0.375067 Br\n0.548033 0.021031 0.882864 Br\n0.451968 0.978968 0.117136 Br\n0.438374 0.498357 0.624933 Br\n0.304656 0.077781 0.312897 Br\n0.695344 0.922218 0.687104 Br\n0.137455 0.539039 0.186082 Br\n",
"nsites": 16,
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"elements": [
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"formula_full": "Bi8 Br8",
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{
"id": "jvasp-50681",
"created_at": "2022-09-04T14:37:18.942988Z",
"updated_at": "2022-09-04T14:37:18.943014Z",
"structure_string": "Li4 Ag2 F10\n1.0\n-5.221233 -0.828547 0.000496\n3.481353 4.998463 -0.000998\n-0.000400 -0.002201 -8.759756\nLi Ag F\n4 2 10\ndirect\n0.147419 0.901542 0.922020 Li\n0.147452 0.901576 0.577997 Li\n-0.147464 0.098404 0.421989 Li\n-0.147454 0.098427 0.077996 Li\n0.680238 0.465538 0.250001 Ag\n0.319753 0.534465 0.750000 Ag\n0.557869 0.180272 0.408704 F\n0.557934 0.180348 0.091245 F\n0.825777 0.758395 0.409651 F\n0.825812 0.758423 0.090386 F\n0.897782 0.687891 0.750006 F\n0.102208 0.312076 0.249992 F\n0.174204 0.241601 0.909615 F\n0.174269 0.241642 0.590341 F\n0.442143 0.819739 0.591300 F\n0.442056 0.819652 0.908760 F\n",
"nsites": 16,
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"elements": [
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"density": 3.539864746038868,
"density_atomic": 0.07868356861083163,
"volume": 203.34614052821988,
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"formula_full": "Li4 Ag2 F10",
"formula_reduced": "Li2AgF5",
"formula_anonymous": "AB2C5",
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"spacegroup": 11
},
{
"id": "jvasp-59062",
"created_at": "2022-09-04T14:38:13.593826Z",
"updated_at": "2022-09-04T14:38:13.593837Z",
"structure_string": "Pb7 Br2 F12\n1.0\n5.187229 -8.984545 0.000000\n5.187229 8.984545 0.000000\n0.000000 0.000000 4.012331\nPb Br F\n7 2 12\ndirect\n0.896812 0.305608 0.000000 Pb\n0.604469 0.893032 0.500000 Pb\n0.288563 0.395531 0.500000 Pb\n0.106968 0.711437 0.500000 Pb\n0.694392 0.591204 0.000000 Pb\n0.408796 0.103188 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n0.333333 0.666667 0.000000 Br\n0.666667 0.333333 0.500000 Br\n0.158397 0.883001 0.000000 F\n0.946424 0.567596 0.000000 F\n0.432404 0.378828 0.000000 F\n0.621172 0.053576 0.000000 F\n0.875502 0.084792 0.500000 F\n0.042021 0.428131 0.500000 F\n0.915208 0.790710 0.500000 F\n0.571869 0.613891 0.500000 F\n0.116999 0.275397 0.000000 F\n0.386109 0.957979 0.500000 F\n0.209290 0.124498 0.500000 F\n0.724603 0.841603 0.000000 F\n",
"nsites": 21,
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"elements": [
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],
"chemical_system": "Br-F-Pb",
"density": 8.161706324179756,
"density_atomic": 0.05615145787203047,
"volume": 373.98850886221214,
"volume_molar": 10.724816395194043,
"formula_full": "Pb7 Br2 F12",
"formula_reduced": "Pb7(BrF6)2",
"formula_anonymous": "A2B7C12",
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"spacegroup": 174
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{
"id": "jvasp-49752",
"created_at": "2022-09-04T14:36:39.319099Z",
"updated_at": "2022-09-04T14:36:39.319126Z",
"structure_string": "Sr2 O2\n1.0\n1.779210 -3.081683 0.000000\n1.779210 3.081683 0.000000\n0.000000 -0.000000 6.227184\nSr O\n2 2\ndirect\n0.333333 0.666667 0.750000 Sr\n0.666667 0.333333 0.250000 Sr\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n",
"nsites": 4,
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"elements": [
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"density": 5.039451836029039,
"density_atomic": 0.05857646023871018,
"volume": 68.28681664442067,
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"formula_full": "Sr2 O2",
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"spacegroup": 194
},
{
"id": "jvasp-102870",
"created_at": "2022-09-04T14:36:42.968134Z",
"updated_at": "2022-09-04T14:36:42.968153Z",
"structure_string": "K2 Sc1 Au1 Cl6\n1.0\n6.318026 -0.000000 3.647714\n2.106009 5.956691 3.647714\n0.000000 0.000000 7.295428\nK Sc Au Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.499999 Au\n0.759839 0.240161 0.240161 Cl\n0.240162 0.240161 0.759839 Cl\n0.240162 0.759838 0.759838 Cl\n0.240162 0.759838 0.240161 Cl\n0.759839 0.240161 0.759838 Cl\n0.759839 0.759838 0.240160 Cl\n",
"nsites": 10,
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"elements": [
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"Cl"
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"density": 3.222599100763201,
"density_atomic": 0.03642191224403927,
"volume": 274.55999380253786,
"volume_molar": 16.534389297436107,
"formula_full": "K2 Sc1 Au1 Cl6",
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"formula_anonymous": "ABC2D6",
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{
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"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,
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"elements": [
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"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",
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"spacegroup": 2
},
{
"id": "jvasp-78319",
"created_at": "2022-09-04T14:37:09.356623Z",
"updated_at": "2022-09-04T14:37:09.356650Z",
"structure_string": "Sc1\n1.0\n-0.823224 0.557038 -3.073624\n-1.638742 -2.780944 -0.066133\n-1.475371 2.760690 -0.801831\nSc\n1\ndirect\n0.999916 0.000032 0.000017 Sc\n",
"nsites": 1,
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"formula_full": "Sc1",
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"spacegroup": 225
},
{
"id": "jvasp-90817",
"created_at": "2022-09-04T14:36:06.525463Z",
"updated_at": "2022-09-04T14:36:06.525482Z",
"structure_string": "Na8\n1.0\n-0.000000 -3.627492 0.000000\n-9.173112 0.000000 0.000000\n0.000000 0.000000 -9.134931\nNa\n8\ndirect\n0.750000 0.321207 0.024576 Na\n0.750000 0.821207 0.475424 Na\n0.250000 0.678793 0.975424 Na\n0.250000 0.178793 0.524576 Na\n0.750000 0.492837 0.678836 Na\n0.750000 0.992837 0.821164 Na\n0.250000 0.507162 0.321164 Na\n0.250000 0.007162 0.178836 Na\n",
"nsites": 8,
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"formula_full": "Na8",
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{
"id": "jvasp-14677",
"created_at": "2022-09-04T14:37:04.599473Z",
"updated_at": "2022-09-04T14:37:04.599492Z",
"structure_string": "Sc1\n1.0\n2.845032 -0.148506 -1.525263\n-1.790939 2.684069 -0.176052\n-0.099091 0.148506 3.226579\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
"nsites": 1,
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{
"id": "jvasp-25175",
"created_at": "2022-09-04T14:38:15.556926Z",
"updated_at": "2022-09-04T14:38:15.556949Z",
"structure_string": "Sc1\n1.0\n2.845032 -0.148506 -1.525263\n-1.790939 2.684069 -0.176052\n-0.099091 0.148506 3.226580\nSc\n1\ndirect\n0.000000 0.000000 0.000000 Sc\n",
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{
"id": "jvasp-56905",
"created_at": "2022-09-04T14:36:50.103488Z",
"updated_at": "2022-09-04T14:36:50.103510Z",
"structure_string": "Rb2 Sn4 Br10\n1.0\n7.525534 -0.000000 -3.735451\n-1.854166 7.293541 -3.735451\n-0.033106 -0.042576 9.381592\nRb Sn Br\n2 4 10\ndirect\n0.249999 0.250000 0.500000 Rb\n0.749999 0.750000 0.499999 Rb\n0.326400 0.173600 -0.000000 Sn\n0.826400 0.326400 -0.000000 Sn\n0.673599 0.826400 -0.000000 Sn\n0.173599 0.673600 -0.000000 Sn\n0.294227 0.479003 0.273230 Br\n0.794227 0.294227 0.273230 Br\n0.705771 0.520997 0.726769 Br\n0.979002 0.794227 0.273230 Br\n0.479002 0.979003 0.273230 Br\n0.205771 0.705772 0.726769 Br\n0.020997 0.205772 0.726769 Br\n0.000000 0.000000 0.000000 Br\n0.520996 0.020997 0.726769 Br\n0.499999 0.500000 -0.000000 Br\n",
"nsites": 16,
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{
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"created_at": "2022-09-04T14:38:47.069618Z",
"updated_at": "2022-09-04T14:38:47.069652Z",
"structure_string": "Ba1 Tl1 Cl1\n1.0\n0.000000 3.920264 3.920264\n3.920264 0.000000 3.920264\n3.920264 3.920264 -0.000000\nBa Tl Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.499999 0.499999 0.499999 Tl\n0.000000 0.000000 0.000000 Cl\n",
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}