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{
"id": "mp-556728",
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"structure_string": "Ta8 P16 S16 Cl40\n1.0\n13.800746 0.000000 0.000000\n0.000000 6.839192 0.000000\n0.000000 4.966233 27.307149\nTa P S Cl\n8 16 16 40\ndirect\n0.786869 0.252268 0.027491 Ta\n0.713131 0.252268 0.527491 Ta\n0.286869 0.747732 0.472509 Ta\n0.613151 0.026744 0.297438 Ta\n0.113151 0.973256 0.202562 Ta\n0.386849 0.973256 0.702562 Ta\n0.213131 0.747732 0.972509 Ta\n0.886849 0.026744 0.797438 Ta\n0.070729 0.460980 0.619911 P\n0.431754 0.931340 0.858964 P\n0.656728 0.324825 0.099575 P\n0.929271 0.539020 0.380089 P\n0.089459 0.758993 0.297014 P\n0.156728 0.675175 0.400425 P\n0.910541 0.241007 0.702986 P\n0.343272 0.675175 0.900425 P\n0.429271 0.460980 0.119911 P\n0.570729 0.539020 0.880089 P\n0.589459 0.241007 0.202986 P\n0.568246 0.068660 0.141036 P\n0.410541 0.758993 0.797014 P\n0.843272 0.324825 0.599575 P\n0.068246 0.931340 0.358964 P\n0.931754 0.068660 0.641036 P\n0.024432 0.449141 0.693920 S\n0.217415 0.630662 0.332578 S\n0.571216 0.852402 0.881832 S\n0.717415 0.369338 0.167422 S\n0.552915 0.546208 0.074654 S\n0.475568 0.449141 0.193920 S\n0.928784 0.852402 0.381832 S\n0.071216 0.147598 0.618168 S\n0.975568 0.550859 0.306080 S\n0.447085 0.453792 0.925346 S\n0.052915 0.453792 0.425346 S\n0.524432 0.550859 0.806080 S\n0.782585 0.369338 0.667422 S\n0.282585 0.630662 0.832578 S\n0.428784 0.147598 0.118168 S\n0.947085 0.546208 0.574654 S\n0.744405 0.244558 0.297270 Cl\n0.736039 0.566257 0.987199 Cl\n0.985646 0.268350 0.821487 Cl\n0.255595 0.755442 0.702730 Cl\n0.104638 0.589913 0.927803 Cl\n0.604638 0.410087 0.572197 Cl\n0.025499 0.880036 0.770834 Cl\n0.974501 0.119964 0.229166 Cl\n0.859483 0.121074 0.503135 Cl\n0.113115 0.823609 0.031706 Cl\n0.395362 0.589913 0.427803 Cl\n0.613115 0.176391 0.468294 Cl\n0.755595 0.244558 0.797270 Cl\n0.359483 0.878926 0.996865 Cl\n0.886885 0.176391 0.968294 Cl\n0.014354 0.731650 0.178513 Cl\n0.135272 0.174207 0.128479 Cl\n0.474501 0.880036 0.270834 Cl\n0.514354 0.268350 0.321487 Cl\n0.236039 0.433743 0.512801 Cl\n0.306484 0.039651 0.415039 Cl\n0.792018 0.842160 0.751396 Cl\n0.244405 0.755442 0.202730 Cl\n0.140517 0.878926 0.496865 Cl\n0.263961 0.433743 0.012801 Cl\n0.806484 0.960349 0.084961 Cl\n0.640517 0.121074 0.003135 Cl\n0.864728 0.825793 0.871521 Cl\n0.386885 0.823609 0.531706 Cl\n0.693516 0.960349 0.584961 Cl\n0.763961 0.566257 0.487199 Cl\n0.635272 0.825793 0.371521 Cl\n0.525499 0.119964 0.729166 Cl\n0.707982 0.842160 0.251396 Cl\n0.292018 0.157840 0.748604 Cl\n0.207982 0.157840 0.248604 Cl\n0.485646 0.731650 0.678513 Cl\n0.193516 0.039651 0.915039 Cl\n0.364728 0.174207 0.628479 Cl\n0.895362 0.410087 0.072197 Cl\n",
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],
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"density": 2.4960956836788095,
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"volume": 2577.411244864688,
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"formula_full": "Ta8 P16 S16 Cl40",
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"updated_at": "2021-11-28T01:37:20.591000Z",
"spacegroup": 14
},
{
"id": "mp-862792",
"created_at": "2022-09-04T14:46:10.109676Z",
"structure_string": "Pr6 Ag2 Ge2 S14\n1.0\n5.186983 -8.984118 0.000000\n5.186983 8.984118 0.000000\n0.000000 0.000000 5.886155\nPr Ag Ge S\n6 2 2 14\ndirect\n0.129943 0.359789 0.254087 Pr\n0.870057 0.640211 0.754087 Pr\n0.640211 0.770154 0.254087 Pr\n0.229846 0.870057 0.254087 Pr\n0.770154 0.129943 0.754087 Pr\n0.359789 0.229846 0.754087 Pr\n0.000000 0.000000 0.314319 Ag\n0.000000 0.000000 0.814319 Ag\n0.333333 0.666667 0.671589 Ge\n0.666667 0.333333 0.171589 Ge\n0.333333 0.666667 0.046990 S\n0.666667 0.333333 0.546990 S\n0.415959 0.522663 0.517487 S\n0.584041 0.477337 0.017487 S\n0.477337 0.893296 0.517487 S\n0.106704 0.584041 0.517487 S\n0.893296 0.415959 0.017487 S\n0.522663 0.106704 0.017487 S\n0.098183 0.269642 0.774435 S\n0.901817 0.730358 0.274435 S\n0.730358 0.828541 0.774435 S\n0.171459 0.901817 0.774435 S\n0.828541 0.098183 0.274435 S\n0.269642 0.171459 0.274435 S\n",
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{
"id": "mp-1237522",
"created_at": "2022-09-04T14:46:10.164306Z",
"structure_string": "Bi4 Sb12 P24 O96\n1.0\n8.763950 -8.664943 0.000000\n8.763950 8.664943 0.000000\n0.196895 0.000000 12.322715\nBi Sb P O\n4 12 24 96\ndirect\n0.500000 0.000000 0.500000 Bi\n0.000000 0.500000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n0.000000 0.000000 0.000000 Bi\n0.751842 0.212667 0.746622 Sb\n0.212667 0.746622 0.751842 Sb\n0.746622 0.751842 0.212667 Sb\n0.248158 0.787333 0.253378 Sb\n0.787333 0.253378 0.248158 Sb\n0.253378 0.248158 0.787333 Sb\n0.500000 0.500000 0.500000 Sb\n0.282278 0.282278 0.282278 Sb\n0.717722 0.717722 0.717722 Sb\n0.000000 0.500000 0.000000 Sb\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.359676 0.028460 0.231906 P\n0.028460 0.231906 0.359676 P\n0.231906 0.359676 0.028460 P\n0.640324 0.971540 0.768094 P\n0.971540 0.768094 0.640324 P\n0.768094 0.640324 0.971540 P\n0.488350 0.750660 0.131141 P\n0.750660 0.131141 0.488350 P\n0.131141 0.488350 0.750660 P\n0.511650 0.249340 0.868859 P\n0.249340 0.868859 0.511650 P\n0.868859 0.511650 0.249340 P\n0.363827 0.266156 0.537231 P\n0.266156 0.537231 0.363827 P\n0.537231 0.363827 0.266156 P\n0.636173 0.733844 0.462769 P\n0.733844 0.462769 0.636173 P\n0.462769 0.636173 0.733844 P\n0.127397 0.733042 0.012607 P\n0.733042 0.012607 0.127397 P\n0.012607 0.127397 0.733042 P\n0.872603 0.266958 0.987393 P\n0.266958 0.987393 0.872603 P\n0.987393 0.872603 0.266958 P\n0.616387 0.438994 0.595422 O\n0.438994 0.595422 0.616387 O\n0.595422 0.616387 0.438994 O\n0.383613 0.561006 0.404578 O\n0.561006 0.404578 0.383613 O\n0.404578 0.383613 0.561006 O\n0.091820 0.802950 0.292361 O\n0.802950 0.292361 0.091820 O\n0.292361 0.091820 0.802950 O\n0.908180 0.197050 0.707639 O\n0.197050 0.707639 0.908180 O\n0.707639 0.908180 0.197050 O\n0.450490 0.674960 0.044363 O\n0.674960 0.044363 0.450490 O\n0.044363 0.450490 0.674960 O\n0.549510 0.325040 0.955637 O\n0.325040 0.955637 0.549510 O\n0.955637 0.549510 0.325040 O\n0.007754 0.962894 0.188121 O\n0.962894 0.188121 0.007754 O\n0.188121 0.007754 0.962894 O\n0.992246 0.037106 0.811879 O\n0.037106 0.811879 0.992246 O\n0.811879 0.992246 0.037106 O\n0.280433 0.275249 0.442420 O\n0.275249 0.442420 0.280433 O\n0.442420 0.280433 0.275249 O\n0.719567 0.724751 0.557580 O\n0.724751 0.557580 0.719567 O\n0.557580 0.719567 0.724751 O\n0.690062 0.552055 0.004157 O\n0.552055 0.004157 0.690062 O\n0.004157 0.690062 0.552055 O\n0.309938 0.447945 0.995843 O\n0.447945 0.995843 0.309938 O\n0.995843 0.309938 0.447945 O\n0.593694 0.708482 0.187596 O\n0.708482 0.187596 0.593694 O\n0.187596 0.593694 0.708482 O\n0.406306 0.291518 0.812404 O\n0.291518 0.812404 0.406306 O\n0.812404 0.406306 0.291518 O\n0.940610 0.918214 0.377667 O\n0.918214 0.377667 0.940610 O\n0.377667 0.940610 0.918214 O\n0.059390 0.081786 0.622333 O\n0.081786 0.622333 0.059390 O\n0.622333 0.059390 0.081786 O\n0.405502 0.760826 0.226943 O\n0.760826 0.226943 0.405502 O\n0.226943 0.405502 0.760826 O\n0.594498 0.239174 0.773057 O\n0.239174 0.773057 0.594498 O\n0.773057 0.594498 0.239174 O\n0.544987 0.813723 0.482647 O\n0.813723 0.482647 0.544987 O\n0.482647 0.544987 0.813723 O\n0.455013 0.186277 0.517353 O\n0.186277 0.517353 0.455013 O\n0.517353 0.455013 0.186277 O\n0.231193 0.631817 0.286205 O\n0.631817 0.286205 0.231193 O\n0.286205 0.231193 0.631817 O\n0.768807 0.368183 0.713795 O\n0.368183 0.713795 0.768807 O\n0.713795 0.768807 0.368183 O\n0.062349 0.115668 0.402077 O\n0.115668 0.402077 0.062349 O\n0.402077 0.062349 0.115668 O\n0.937651 0.884332 0.597923 O\n0.884332 0.597923 0.937651 O\n0.597923 0.937651 0.884332 O\n0.287266 0.123538 0.274882 O\n0.123538 0.274882 0.287266 O\n0.274882 0.287266 0.123538 O\n0.712734 0.876462 0.725118 O\n0.876462 0.725118 0.712734 O\n0.725118 0.712734 0.876462 O\n0.730794 0.058923 0.785813 O\n0.058923 0.785813 0.730794 O\n0.785813 0.730794 0.058923 O\n0.269206 0.941077 0.214187 O\n0.941077 0.214187 0.269206 O\n0.214187 0.269206 0.941077 O\n0.135646 0.916476 0.485283 O\n0.916476 0.485283 0.135646 O\n0.485283 0.135646 0.916476 O\n0.864354 0.083524 0.514717 O\n0.083524 0.514717 0.864354 O\n0.514717 0.864354 0.083524 O\n0.785903 0.233226 0.903058 O\n0.233226 0.903058 0.785903 O\n0.903058 0.785903 0.233226 O\n0.214097 0.766774 0.096942 O\n0.766774 0.096942 0.214097 O\n0.096942 0.214097 0.766774 O\n",
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{
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"structure_string": "Mn4 O8\n1.0\n2.531652 -1.461670 -0.000084\n0.000773 0.000075 -21.164099\n2.531651 1.461668 -0.000094\nMn O\n4 8\ndirect\n0.999995 0.749992 0.000002 Mn\n0.000004 0.500007 0.000000 Mn\n0.999994 0.249987 0.999999 Mn\n0.000001 0.000013 0.000000 Mn\n0.333325 0.295399 0.333324 O\n0.333325 0.795372 0.333324 O\n0.333356 0.454630 0.333353 O\n0.333355 0.954604 0.333354 O\n0.666668 0.204567 0.666678 O\n0.666668 0.704580 0.666678 O\n0.666655 0.045431 0.666644 O\n0.666654 0.545419 0.666644 O\n",
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{
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{
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{
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