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{
"id": "jvasp-112693",
"created_at": "2022-09-04T14:38:43.375568Z",
"updated_at": "2022-09-04T14:38:43.375603Z",
"structure_string": "Ce1 Ho4 S7\n1.0\n6.560890 -0.001631 1.667977\n5.458732 3.639716 1.667977\n0.014111 0.004271 11.572100\nCe Ho S\n1 4 7\ndirect\n0.000000 0.000000 0.000000 Ce\n0.112438 0.112438 0.576816 Ho\n0.887560 0.887563 0.423184 Ho\n0.300408 0.300409 0.809338 Ho\n0.699590 0.699592 0.190662 Ho\n0.261195 0.261195 0.353879 S\n0.738804 0.738806 0.646121 S\n0.665674 0.665675 0.945735 S\n0.334325 0.334326 0.054265 S\n0.956049 0.956051 0.778823 S\n0.043950 0.043950 0.221177 S\n0.499999 0.500001 0.500000 S\n",
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{
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"structure_string": "Sm1 Mo6 S8\n1.0\n4.564402 -2.635258 -3.829224\n-0.000000 5.270518 -3.829224\n4.564402 2.635259 3.829224\nSm Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Sm\n0.438201 0.579675 0.225620 Mo\n0.774380 0.438201 0.420324 Mo\n0.420323 0.225619 0.438202 Mo\n0.579675 0.774380 0.561798 Mo\n0.225619 0.561798 0.579675 Mo\n0.561799 0.420325 0.774381 Mo\n0.628513 0.246860 0.125965 S\n0.759127 0.759127 0.240872 S\n0.125964 0.371486 0.246860 S\n0.246860 0.874036 0.371486 S\n0.753140 0.125964 0.628514 S\n0.874034 0.628514 0.753140 S\n0.240873 0.240872 0.759127 S\n0.371486 0.753140 0.874036 S\n",
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{
"id": "jvasp-59622",
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"updated_at": "2022-09-04T14:37:29.848940Z",
"structure_string": "K3 Ir1 N6 O12\n1.0\n6.331872 0.000000 3.655708\n2.110624 5.969747 3.655708\n0.000000 -0.000000 7.311416\nK Ir N O\n3 1 6 12\ndirect\n0.749999 0.750000 0.750001 K\n0.499999 0.500000 0.500001 K\n0.250000 0.250000 0.250000 K\n0.000000 0.000000 0.000000 Ir\n0.803626 0.803627 0.196374 N\n0.196372 0.803627 0.196373 N\n0.196373 0.196373 0.803628 N\n0.803627 0.196373 0.803628 N\n0.196372 0.803627 0.803628 N\n0.803627 0.196373 0.196373 N\n0.408863 -0.000000 0.591138 O\n-0.000000 0.408863 0.591137 O\n0.000000 0.000000 0.591137 O\n-0.000000 0.591137 0.000000 O\n-0.000000 0.591137 0.408863 O\n0.408863 -0.000000 0.000000 O\n-0.000000 0.408863 0.000000 O\n0.591137 -0.000000 0.408863 O\n0.591137 0.408863 0.000000 O\n0.408862 0.591137 0.000000 O\n0.591137 -0.000000 0.000000 O\n0.000000 0.000000 0.408863 O\n",
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"formula_full": "K3 Ir1 N6 O12",
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{
"id": "jvasp-116518",
"created_at": "2022-09-04T14:38:41.964305Z",
"updated_at": "2022-09-04T14:38:41.964333Z",
"structure_string": "Li4 Cu8 S6\n1.0\n7.644400 0.099822 2.393336\n6.655590 3.761642 2.393336\n0.088518 0.023903 9.868468\nLi Cu S\n4 8 6\ndirect\n0.825379 0.825377 0.915555 Li\n0.276312 0.276311 0.358486 Li\n0.723690 0.723687 0.641515 Li\n0.174622 0.174622 0.084446 Li\n0.541696 0.541695 0.093368 Cu\n0.545494 0.545492 0.362937 Cu\n0.088356 0.088355 0.531195 Cu\n0.090491 0.090489 0.879433 Cu\n0.911646 0.911643 0.468806 Cu\n0.454508 0.454506 0.637064 Cu\n0.458306 0.458304 0.906633 Cu\n0.909511 0.909509 0.120568 Cu\n0.669738 0.669737 0.432108 S\n0.011271 0.011271 0.242338 S\n0.330263 0.330262 0.567893 S\n0.326968 0.326967 0.095579 S\n0.673034 0.673031 0.904422 S\n-0.011271 -0.011272 0.757662 S\n",
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"elements": [
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{
"id": "jvasp-13114",
"created_at": "2022-09-04T14:36:47.604055Z",
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"structure_string": "K2 Pt4 S6\n1.0\n6.221970 -0.066340 4.193658\n2.196064 5.821909 4.193658\n-0.097028 -0.066340 7.502684\nK Pt S\n2 4 6\ndirect\n0.694367 0.694368 0.694368 K\n0.305632 0.305632 0.305632 K\n0.500000 0.500000 0.500000 Pt\n-0.000000 -0.000000 0.500000 Pt\n0.500000 0.000000 0.000000 Pt\n-0.000000 0.500000 0.000000 Pt\n0.733867 0.221737 0.733868 S\n0.733867 0.733868 0.221737 S\n0.221736 0.733868 0.733868 S\n0.778263 0.266132 0.266132 S\n0.266132 0.778264 0.266133 S\n0.266132 0.266132 0.778263 S\n",
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"volume": 276.3843188307076,
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"formula_full": "K2 Pt4 S6",
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{
"id": "jvasp-64738",
"created_at": "2022-09-04T14:35:52.901790Z",
"updated_at": "2022-09-04T14:35:52.901812Z",
"structure_string": "Ba4 Mg1 Sc1\n1.0\n0.000000 5.170078 5.170078\n5.170078 -0.000000 5.170078\n5.170078 5.170078 -0.000000\nBa Mg Sc\n4 1 1\ndirect\n0.124504 0.625165 0.625165 Ba\n0.625165 0.625165 0.625165 Ba\n0.625165 0.124504 0.625165 Ba\n0.625165 0.625165 0.124504 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Sc\n",
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"volume": 276.38933531392667,
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"formula_full": "Ba4 Mg1 Sc1",
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"spacegroup": 216
},
{
"id": "jvasp-86519",
"created_at": "2022-09-04T14:36:06.397511Z",
"updated_at": "2022-09-04T14:36:06.397535Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769467 -0.000000 0.000000\n0.000000 5.769467 0.000000\n0.000000 0.000000 8.303880\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757861 Na\n0.750000 0.750000 0.242139 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255829 Nb\n0.750000 0.750000 0.744171 Nb\n0.981988 0.518013 0.671540 O\n0.518013 0.981988 0.671540 O\n0.250000 0.250000 0.030520 O\n0.481988 0.481988 0.328460 O\n0.981988 0.981988 0.671540 O\n0.750000 0.750000 0.969480 O\n0.518013 0.518013 0.671540 O\n0.018012 0.018012 0.328460 O\n0.481988 0.018012 0.328460 O\n0.018012 0.481988 0.328460 O\n",
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"formula_full": "K2 Na2 Nd2 Nb2 O10",
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{
"id": "jvasp-117715",
"created_at": "2022-09-04T14:38:26.622285Z",
"updated_at": "2022-09-04T14:38:26.622304Z",
"structure_string": "Bi1 O1 F1\n1.0\n5.767464 -0.000000 -0.000000\n-0.000000 5.767464 0.000000\n-0.000000 0.000000 8.310096\nBi O F\n1 1 1\ndirect\n0.000000 0.000000 0.314749 Bi\n0.000000 0.000000 0.075652 O\n0.000000 0.000000 0.580740 F\n",
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},
{
"id": "jvasp-85920",
"created_at": "2022-09-04T14:36:19.430202Z",
"updated_at": "2022-09-04T14:36:19.430230Z",
"structure_string": "K2 Na2 Nd2 Nb2 O10\n1.0\n5.769772 -0.000000 -0.000000\n0.000000 5.769772 -0.000000\n0.000000 0.000000 8.303905\nK Na Nd Nb O\n2 2 2 2 10\ndirect\n0.250000 0.750000 0.000000 K\n0.750000 0.250000 0.000000 K\n0.250000 0.250000 0.757842 Na\n0.750000 0.750000 0.242159 Na\n0.250000 0.750000 0.500000 Nd\n0.750000 0.250000 0.500000 Nd\n0.250000 0.250000 0.255824 Nb\n0.750000 0.750000 0.744176 Nb\n0.981976 0.518023 0.671544 O\n0.518023 0.981976 0.671544 O\n0.250000 0.250000 0.030513 O\n0.481976 0.481976 0.328457 O\n0.981976 0.981976 0.671544 O\n0.750000 0.750000 0.969487 O\n0.518023 0.518023 0.671544 O\n0.018024 0.018024 0.328457 O\n0.481976 0.018024 0.328457 O\n0.018024 0.481976 0.328457 O\n",
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"formula_full": "K2 Na2 Nd2 Nb2 O10",
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{
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"created_at": "2022-09-04T14:38:34.018673Z",
"updated_at": "2022-09-04T14:38:34.018698Z",
"structure_string": "Ag1 Mo6 S8\n1.0\n6.515406 -0.023917 -0.225652\n-0.232773 6.511291 -0.225652\n-0.023162 -0.023917 6.519271\nAg Mo S\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Ag\n0.447728 0.592199 0.781297 Mo\n0.592201 0.781296 0.447727 Mo\n0.781297 0.447726 0.592200 Mo\n0.218704 0.552273 0.407800 Mo\n0.407800 0.218703 0.552273 Mo\n0.552274 0.407800 0.218704 Mo\n0.268566 0.869214 0.617551 S\n0.617552 0.268564 0.869215 S\n0.869216 0.617550 0.268566 S\n0.130785 0.382449 0.731435 S\n0.222026 0.222025 0.222025 S\n0.382450 0.731434 0.130785 S\n0.731435 0.130784 0.382449 S\n0.777976 0.777974 0.777975 S\n",
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{
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"created_at": "2022-09-04T14:38:29.716458Z",
"updated_at": "2022-09-04T14:38:29.716477Z",
"structure_string": "Fe1 Cu1 C5 N6 O1\n1.0\n6.238744 -0.000000 -3.405820\n-1.859286 5.955248 -3.405820\n0.007229 0.009830 7.430185\nFe Cu C N O\n1 1 5 6 1\ndirect\n0.004189 0.004189 0.008378 Fe\n0.521406 0.521407 0.042813 Cu\n0.827525 0.827526 0.655051 C\n0.802449 0.183478 0.985928 C\n0.802449 0.802450 0.985928 C\n0.183477 0.183478 0.985928 C\n0.183477 0.802450 0.985928 C\n0.302215 0.689904 0.992119 N\n0.721114 0.721115 0.442228 N\n0.689903 0.689904 0.992118 N\n0.302215 0.302215 0.992119 N\n0.155368 0.155368 0.310735 N\n0.689904 0.302215 0.992118 N\n0.260500 0.260500 0.521000 O\n",
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{
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"created_at": "2022-09-04T14:35:54.809027Z",
"updated_at": "2022-09-04T14:35:54.809047Z",
"structure_string": "Mn2 Fe2 P4 O16\n1.0\n4.811568 0.000000 0.000000\n0.000000 5.875003 0.000000\n0.000000 0.000000 9.780803\nMn Fe P O\n2 2 4 16\ndirect\n0.576993 0.000000 0.531529 Mn\n0.076992 0.500000 0.468471 Mn\n0.940272 0.000000 0.024215 Fe\n0.440272 0.500000 0.975784 Fe\n0.607378 0.500000 0.654963 P\n0.107377 0.000000 0.345036 P\n0.890656 0.500000 0.159437 P\n0.390656 0.000000 0.840563 P\n0.242173 0.794311 0.911981 O\n0.242173 0.205688 0.911981 O\n0.742173 0.294311 0.088019 O\n0.742173 0.705688 0.088019 O\n0.202944 0.500000 0.132699 O\n0.156177 0.000000 0.191192 O\n0.838685 0.500000 0.315093 O\n0.755476 0.294221 0.583071 O\n0.255475 0.794220 0.416928 O\n0.255475 0.205779 0.416928 O\n0.702944 0.000000 0.867301 O\n0.755476 0.705779 0.583071 O\n0.291993 0.500000 0.627821 O\n0.338685 0.000000 0.684907 O\n0.791993 0.000000 0.372179 O\n0.656177 0.500000 0.808807 O\n",
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]
}