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{
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{
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"formula_full": "K1 Li1 Mg30 O31",
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"spacegroup": 25
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{
"id": "mp-1001825",
"created_at": "2022-09-04T14:44:15.438191Z",
"structure_string": "Li2 Be2\n1.0\n3.720967 0.000000 0.000000\n0.000000 2.258778 0.000000\n0.000000 1.264598 5.306194\nLi Be\n2 2\ndirect\n0.750000 0.509553 0.149587 Li\n0.250000 0.490447 0.850413 Li\n0.750000 0.193285 0.583723 Be\n0.250000 0.806715 0.416277 Be\n",
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{
"id": "mp-1208891",
"created_at": "2022-09-04T14:40:25.764658Z",
"structure_string": "Sm4 Si10 Pt6\n1.0\n-3.046280 4.997198 5.771141\n3.046280 -4.997198 5.771141\n3.046280 4.997198 -5.771141\nSm Si Pt\n4 10 6\ndirect\n0.638962 0.369374 0.269588 Sm\n0.361038 0.630626 0.730412 Sm\n0.099786 0.869374 0.230412 Sm\n0.900214 0.130626 0.769588 Sm\n0.272318 0.522318 0.250000 Si\n0.727682 0.477682 0.750000 Si\n0.727682 0.977682 0.250000 Si\n0.272318 0.022318 0.750000 Si\n0.460447 0.111465 0.348982 Si\n0.539553 0.888535 0.651018 Si\n0.762483 0.611465 0.151018 Si\n0.237517 0.388535 0.848982 Si\n0.000000 0.250000 0.250000 Si\n0.000000 0.750000 0.750000 Si\n0.247365 0.136755 0.110610 Pt\n0.752635 0.863245 0.889390 Pt\n0.026145 0.636755 0.389390 Pt\n0.973855 0.363245 0.610610 Pt\n0.500000 0.250000 0.750000 Pt\n0.500000 0.750000 0.250000 Pt\n",
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"elements": [
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"density": 9.700128150345227,
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"volume": 351.4131857377674,
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"formula_full": "Sm4 Si10 Pt6",
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"energy": -128.49345214,
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{
"id": "mp-10684",
"created_at": "2022-09-04T14:42:24.290915Z",
"structure_string": "Ca1 Te1\n1.0\n3.926050 0.000000 0.000000\n0.000000 3.926050 0.000000\n0.000000 0.000000 3.926050\nCa Te\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Te\n",
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},
{
"id": "mp-541601",
"created_at": "2022-09-04T14:41:35.015373Z",
"structure_string": "K2 Pr2 P8 O24\n1.0\n6.353979 4.015924 0.000000\n-6.353979 4.015924 0.000000\n0.000000 3.740229 10.125394\nK Pr P O\n2 2 8 24\ndirect\n0.683855 0.316145 0.750000 K\n0.316145 0.683855 0.250000 K\n0.621127 0.378873 0.250000 Pr\n0.378873 0.621127 0.750000 Pr\n0.126569 0.788060 0.000266 P\n0.211940 0.873431 0.499734 P\n0.873431 0.211940 0.999734 P\n0.788060 0.126569 0.500266 P\n0.759562 0.805006 0.944492 P\n0.194994 0.240438 0.555508 P\n0.240438 0.194994 0.055508 P\n0.805006 0.759562 0.444492 P\n0.309535 0.805242 0.903900 O\n0.194758 0.690465 0.596100 O\n0.690465 0.194758 0.096100 O\n0.805242 0.309535 0.403900 O\n0.998366 0.853601 0.915455 O\n0.146399 0.001634 0.584545 O\n0.001634 0.146399 0.084545 O\n0.853601 0.998366 0.415455 O\n0.993222 0.593106 0.112854 O\n0.406894 0.006778 0.387146 O\n0.006778 0.406894 0.887146 O\n0.593106 0.993222 0.612854 O\n0.215842 0.967295 0.070954 O\n0.032705 0.784158 0.429046 O\n0.784158 0.032705 0.929046 O\n0.967295 0.215842 0.570954 O\n0.641379 0.671157 0.084688 O\n0.328843 0.358621 0.415312 O\n0.358621 0.328843 0.915312 O\n0.671157 0.641379 0.584688 O\n0.687540 0.740595 0.832515 O\n0.259405 0.312460 0.667485 O\n0.312460 0.259405 0.167485 O\n0.740595 0.687540 0.332515 O\n",
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{
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{
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"structure_string": "Ho6 Si4 Ni12\n1.0\n-4.367238 4.367238 4.367238\n4.367238 -4.367238 4.367238\n4.367238 4.367238 -4.367238\nHo Si Ni\n6 4 12\ndirect\n0.716252 0.716252 0.000000 Ho\n0.283748 0.000000 0.283748 Ho\n0.000000 0.283748 0.283748 Ho\n0.283748 0.283748 0.000000 Ho\n0.716252 0.000000 0.716252 Ho\n0.000000 0.716252 0.716252 Ho\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.331058 0.331058 0.662116 Ni\n0.668942 0.000000 0.331058 Ni\n0.000000 0.668942 0.331058 Ni\n0.668942 0.331058 0.000000 Ni\n0.331058 0.662116 0.331058 Ni\n0.000000 0.331058 0.668942 Ni\n0.331058 0.668942 0.000000 Ni\n0.331058 0.000000 0.668942 Ni\n0.662116 0.331058 0.331058 Ni\n0.668942 0.668942 0.337884 Ni\n0.668942 0.337884 0.668942 Ni\n0.337884 0.668942 0.668942 Ni\n",
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{
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"formula_full": "Sb32 Cl8 O44",
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{
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{
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{
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"structure_string": "Fe1 Sn2 C6 N6\n1.0\n3.622035 -6.273548 0.000000\n3.622035 6.273548 0.000000\n0.000000 0.000000 5.564807\nFe Sn C N\n1 2 6 6\ndirect\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.443723 Sn\n0.333333 0.666667 0.556277 Sn\n0.242120 0.161985 0.809140 C\n0.838015 0.080135 0.809140 C\n0.919865 0.757880 0.809140 C\n0.080135 0.242120 0.190860 C\n0.757880 0.838015 0.190860 C\n0.161985 0.919865 0.190860 C\n0.730081 0.127315 0.695437 N\n0.397234 0.269919 0.695437 N\n0.872685 0.602766 0.695437 N\n0.269919 0.872685 0.304563 N\n0.127315 0.397234 0.304563 N\n0.602766 0.730081 0.304563 N\n",
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}