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{
"id": "mp-1188323",
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"structure_string": "Ti8 O12\n1.0\n2.854986 0.000000 0.000000\n0.000000 7.880405 0.000000\n0.000000 0.000000 8.208305\nTi O\n8 12\ndirect\n0.250000 0.029941 0.684005 Ti\n0.250000 0.529941 0.815995 Ti\n0.750000 0.970059 0.315995 Ti\n0.750000 0.470059 0.184005 Ti\n0.250000 0.195936 0.018297 Ti\n0.250000 0.695936 0.481703 Ti\n0.750000 0.804064 0.981703 Ti\n0.750000 0.304064 0.518297 Ti\n0.250000 0.943240 0.125097 O\n0.250000 0.443240 0.374903 O\n0.750000 0.056760 0.874903 O\n0.750000 0.556760 0.625097 O\n0.250000 0.120835 0.446667 O\n0.250000 0.620835 0.053333 O\n0.750000 0.879165 0.553333 O\n0.750000 0.379165 0.946667 O\n0.250000 0.792028 0.810738 O\n0.250000 0.292028 0.689262 O\n0.750000 0.207972 0.189262 O\n0.750000 0.707972 0.310738 O\n",
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{
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"formula_full": "Al8 H24 O24",
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"spacegroup": 14
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{
"id": "mp-1048116",
"created_at": "2022-09-04T14:46:58.995242Z",
"structure_string": "Ba2 Co3 O8\n1.0\n3.846696 0.000000 0.000000\n0.000000 3.846696 0.000000\n0.000000 0.000000 12.177581\nBa Co O\n2 3 8\ndirect\n0.500000 0.500000 0.172361 Ba\n0.500000 0.500000 0.827639 Ba\n0.000000 0.000000 0.336241 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.663759 Co\n0.000000 0.500000 0.348004 O\n0.500000 0.000000 0.348004 O\n0.500000 0.000000 0.000000 O\n0.000000 0.000000 0.169703 O\n0.000000 0.500000 0.651996 O\n0.500000 0.000000 0.651996 O\n0.000000 0.000000 0.830297 O\n0.000000 0.500000 0.000000 O\n",
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"volume": 180.19251990533527,
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"formula_full": "Ba2 Co3 O8",
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{
"id": "mp-29072",
"created_at": "2022-09-04T14:46:58.995693Z",
"structure_string": "Nb8 Si4 Te16\n1.0\n7.968722 0.000000 0.000000\n0.000000 6.403755 0.000000\n0.000000 4.391259 15.337121\nNb Si Te\n8 4 16\ndirect\n0.037378 0.645953 0.250058 Nb\n0.537378 0.354047 0.249942 Nb\n0.962622 0.354047 0.749942 Nb\n0.462622 0.645953 0.750058 Nb\n0.788024 0.854170 0.749978 Nb\n0.288024 0.145830 0.750022 Nb\n0.211976 0.145830 0.250022 Nb\n0.711976 0.854170 0.249978 Nb\n0.625364 0.249916 0.750074 Si\n0.125364 0.750084 0.749926 Si\n0.374636 0.750084 0.249926 Si\n0.874636 0.249916 0.250074 Si\n0.983033 0.887143 0.373420 Te\n0.483033 0.112857 0.126580 Te\n0.016967 0.112857 0.626580 Te\n0.516967 0.887143 0.873420 Te\n0.766490 0.612810 0.126646 Te\n0.266490 0.387190 0.373354 Te\n0.233510 0.387190 0.873354 Te\n0.733510 0.612810 0.626646 Te\n0.483099 0.943545 0.373382 Te\n0.983099 0.056455 0.126618 Te\n0.516901 0.056455 0.626618 Te\n0.016901 0.943545 0.873382 Te\n0.265987 0.556150 0.126623 Te\n0.765987 0.443850 0.373377 Te\n0.734013 0.443850 0.873377 Te\n0.234013 0.556150 0.626623 Te\n",
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"elements": [
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"formula_full": "Nb8 Si4 Te16",
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{
"id": "mp-643643",
"created_at": "2022-09-04T14:46:58.995997Z",
"structure_string": "Ba4 H8 C4 S4 N4 Cl4 O4\n1.0\n4.820108 0.000000 0.000000\n0.000000 5.917678 0.000000\n0.000000 0.000000 20.418475\nBa H C S N Cl O\n4 8 4 4 4 4 4\ndirect\n0.250000 0.761826 0.082592 Ba\n0.250000 0.261826 0.417408 Ba\n0.750000 0.238174 0.917408 Ba\n0.750000 0.738174 0.582592 Ba\n0.087654 0.888449 0.243255 H\n0.412346 0.388449 0.256745 H\n0.587654 0.111551 0.756745 H\n0.912346 0.611551 0.743255 H\n0.912346 0.111551 0.756745 H\n0.587654 0.611551 0.743255 H\n0.412346 0.888449 0.243255 H\n0.087654 0.388449 0.256745 H\n0.750000 0.194643 0.144388 C\n0.750000 0.694643 0.355612 C\n0.250000 0.805357 0.855612 C\n0.250000 0.305357 0.644388 C\n0.750000 0.458387 0.168838 S\n0.750000 0.958387 0.331162 S\n0.250000 0.541613 0.831162 S\n0.250000 0.041613 0.668838 S\n0.750000 0.003318 0.127513 N\n0.750000 0.503318 0.372487 N\n0.250000 0.996682 0.872487 N\n0.250000 0.496682 0.627513 N\n0.250000 0.262087 0.021084 Cl\n0.250000 0.762087 0.478916 Cl\n0.750000 0.737913 0.978916 Cl\n0.750000 0.237913 0.521084 Cl\n0.250000 0.853610 0.215960 O\n0.250000 0.353610 0.284040 O\n0.750000 0.146390 0.784040 O\n0.750000 0.646390 0.715960 O\n",
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{
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{
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"structure_string": "Sm14 Pt6\n1.0\n0.000000 0.000000 -6.443872\n-5.040536 -8.709952 0.000000\n-5.040536 8.709952 0.000000\nSm Pt\n14 6\ndirect\n0.455587 0.333335 0.666665 Sm\n0.955587 0.666665 0.333335 Sm\n0.248543 0.127428 0.872572 Sm\n0.248217 0.745412 0.872748 Sm\n0.248217 0.127252 0.254588 Sm\n0.748543 0.872572 0.127428 Sm\n0.748217 0.254588 0.127252 Sm\n0.748217 0.872748 0.745412 Sm\n0.441912 0.537691 0.462309 Sm\n0.441887 0.924255 0.462139 Sm\n0.441887 0.537861 0.075745 Sm\n0.941912 0.462309 0.537691 Sm\n0.941887 0.075745 0.537861 Sm\n0.941887 0.462139 0.924255 Sm\n0.188886 0.810885 0.189115 Pt\n0.188932 0.378299 0.189228 Pt\n0.188932 0.810772 0.621701 Pt\n0.688886 0.189115 0.810885 Pt\n0.688932 0.621701 0.810772 Pt\n0.688932 0.189228 0.378299 Pt\n",
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{
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"structure_string": "Li2 Al2 Si4 H1 O14\n1.0\n5.001612 0.000000 0.000000\n0.030716 7.702750 0.000000\n0.039196 3.584687 7.925108\nLi Al Si H O\n2 2 4 1 14\ndirect\n0.866071 0.160150 0.609446 Li\n0.364008 0.887289 0.217376 Li\n0.369995 0.137938 0.800598 Al\n0.854241 0.108182 0.284379 Al\n0.354399 0.981233 0.521757 Si\n0.869142 0.948166 0.009924 Si\n0.426810 0.558194 0.791848 Si\n0.924356 0.538935 0.010118 Si\n0.595522 0.544742 0.300464 H\n0.028336 0.073652 0.833552 O\n0.489992 0.086422 0.631775 O\n0.418934 0.382856 0.734719 O\n0.549303 0.999758 0.987492 O\n0.532858 0.011897 0.354710 O\n0.915804 0.720220 0.062509 O\n0.330289 0.752155 0.636726 O\n0.052425 0.064334 0.464467 O\n0.230001 0.513619 0.954899 O\n0.991679 0.990167 0.165213 O\n0.828172 0.354557 0.172135 O\n0.730840 0.585303 0.846327 O\n0.904615 0.453811 0.520634 O\n0.426668 0.600419 0.319652 O\n",
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{
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"structure_string": "Sm1 Tm1 Mg2\n1.0\n0.000000 3.798677 3.798677\n3.798677 0.000000 3.798677\n3.798677 3.798677 0.000000\nSm Tm Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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{
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