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{
"id": "mp-1222976",
"created_at": "2022-09-04T14:39:59.538748Z",
"structure_string": "La2 Ta2 Bi4 O14\n1.0\n-3.888748 3.921758 5.555090\n3.888748 -3.921758 5.555090\n3.888748 3.921758 -5.555090\nLa Ta Bi O\n2 2 4 14\ndirect\n0.000000 0.500000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.000000 0.500000 0.500000 Ta\n0.500000 0.500000 0.000000 Ta\n0.500000 0.000000 0.000000 Bi\n0.500000 0.500000 0.500000 Bi\n0.500000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.232390 0.482390 0.750000 O\n0.880293 0.130293 0.750000 O\n0.383460 0.186213 0.818114 O\n0.868099 0.565346 0.681886 O\n0.383460 0.565346 0.197247 O\n0.868099 0.186213 0.302753 O\n0.767610 0.517610 0.250000 O\n0.119707 0.869707 0.250000 O\n0.616540 0.813787 0.181886 O\n0.131901 0.434654 0.318114 O\n0.616540 0.434654 0.802753 O\n0.131901 0.813787 0.697247 O\n0.618344 0.868344 0.750000 O\n0.381656 0.131656 0.250000 O\n",
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{
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"structure_string": "Mg6 Si8\n1.0\n5.940144 0.000000 0.000000\n-1.742712 6.350008 0.000000\n-1.225345 -2.407781 6.871041\nMg Si\n6 8\ndirect\n0.880708 0.508144 0.402478 Mg\n0.410104 0.847811 0.560494 Mg\n0.568978 0.215765 0.968990 Mg\n0.633889 0.687329 0.888126 Mg\n0.890531 0.980685 0.347089 Mg\n0.090531 0.211257 0.070059 Mg\n0.111456 0.325580 0.713929 Si\n0.178367 0.754975 0.848481 Si\n0.124643 0.702189 0.153283 Si\n0.484083 0.592610 0.206620 Si\n0.920922 0.922612 0.703465 Si\n0.673281 0.284853 0.632392 Si\n0.333076 0.390933 0.464838 Si\n0.446071 0.075447 0.286404 Si\n",
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"formula_full": "Mg6 Si8",
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{
"id": "mp-757901",
"created_at": "2022-09-04T14:39:59.545976Z",
"structure_string": "Li12 Sn12 P12 O48\n1.0\n7.387771 0.000000 0.000000\n0.000000 9.510064 0.000000\n0.000000 9.402681 16.792329\nLi Sn P O\n12 12 12 48\ndirect\n0.065239 0.705645 0.575026 Li\n0.938062 0.339378 0.913768 Li\n0.224619 0.000121 0.248496 Li\n0.724619 0.999879 0.251504 Li\n0.438062 0.660622 0.586232 Li\n0.565239 0.294355 0.924974 Li\n0.434761 0.705645 0.075026 Li\n0.561938 0.339378 0.413768 Li\n0.275381 0.000121 0.748496 Li\n0.775381 0.999879 0.751504 Li\n0.061938 0.660622 0.086232 Li\n0.934761 0.294355 0.424974 Li\n0.780774 0.931277 0.105708 Sn\n0.718400 0.376811 0.712379 Sn\n0.762924 0.697235 0.438365 Sn\n0.262924 0.302765 0.061635 Sn\n0.218400 0.623189 0.787621 Sn\n0.280774 0.068723 0.394292 Sn\n0.719226 0.931277 0.605708 Sn\n0.781600 0.376811 0.212379 Sn\n0.737076 0.697235 0.938365 Sn\n0.237076 0.302765 0.561635 Sn\n0.281600 0.623189 0.287621 Sn\n0.219226 0.068723 0.894292 Sn\n0.303103 0.964030 0.088897 P\n0.185584 0.368973 0.730064 P\n0.287112 0.685681 0.433860 P\n0.787112 0.314319 0.066140 P\n0.685584 0.631027 0.769936 P\n0.803103 0.035970 0.411103 P\n0.196897 0.964030 0.588897 P\n0.314416 0.368973 0.230064 P\n0.212888 0.685681 0.933860 P\n0.712888 0.314319 0.566140 P\n0.814416 0.631027 0.269936 P\n0.696897 0.035970 0.911103 P\n0.509771 0.124092 0.885198 O\n0.694094 0.463788 0.581701 O\n0.816428 0.146003 0.929479 O\n0.785052 0.810522 0.247235 O\n0.145814 0.646690 0.498766 O\n0.005240 0.439781 0.684449 O\n0.178341 0.361581 0.815210 O\n0.225658 0.001027 0.152764 O\n0.472466 0.713419 0.464949 O\n0.324787 0.136334 0.012042 O\n0.235042 0.834278 0.353586 O\n0.339270 0.479633 0.679797 O\n0.735042 0.165722 0.146414 O\n0.839270 0.520367 0.820203 O\n0.824787 0.863666 0.487958 O\n0.972466 0.286581 0.035051 O\n0.725658 0.998973 0.347236 O\n0.678341 0.638419 0.684790 O\n0.505240 0.560219 0.815551 O\n0.285052 0.189478 0.252765 O\n0.645814 0.353310 0.001234 O\n0.316428 0.853997 0.570521 O\n0.194094 0.536212 0.918299 O\n0.009771 0.875908 0.614802 O\n0.990229 0.124092 0.385198 O\n0.805906 0.463788 0.081701 O\n0.683572 0.146003 0.429479 O\n0.354186 0.646690 0.998766 O\n0.714948 0.810522 0.747235 O\n0.494760 0.439781 0.184449 O\n0.321659 0.361581 0.315210 O\n0.274342 0.001027 0.652764 O\n0.027534 0.713419 0.964949 O\n0.175213 0.136334 0.512042 O\n0.160730 0.479633 0.179797 O\n0.264958 0.834278 0.853586 O\n0.660730 0.520367 0.320203 O\n0.764958 0.165722 0.646414 O\n0.675213 0.863666 0.987958 O\n0.527534 0.286581 0.535051 O\n0.774342 0.998973 0.847236 O\n0.821659 0.638419 0.184790 O\n0.994760 0.560219 0.315551 O\n0.854186 0.353310 0.501234 O\n0.214948 0.189478 0.752765 O\n0.183572 0.853997 0.070521 O\n0.305906 0.536212 0.418299 O\n0.490229 0.875908 0.114802 O\n",
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"elements": [
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"O"
],
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"density": 3.7262507306892374,
"density_atomic": 0.07119860538213602,
"volume": 1179.7983899987444,
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"formula_full": "Li12 Sn12 P12 O48",
"formula_reduced": "LiSnPO4",
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"spacegroup": 14
},
{
"id": "mp-1197725",
"created_at": "2022-09-04T14:39:58.130193Z",
"structure_string": "Y8 Fe12 Si20\n1.0\n10.359463 0.000000 0.000000\n0.000000 10.359463 0.000000\n0.000000 0.000000 5.486546\nY Fe Si\n8 12 20\ndirect\n0.569816 0.736354 0.500000 Y\n0.430184 0.263646 0.500000 Y\n0.069816 0.763646 0.000000 Y\n0.930184 0.236354 0.000000 Y\n0.263646 0.569816 0.500000 Y\n0.736354 0.430184 0.500000 Y\n0.236354 0.069816 0.000000 Y\n0.763646 0.930184 0.000000 Y\n0.877158 0.854523 0.500000 Fe\n0.122842 0.145477 0.500000 Fe\n0.377158 0.645477 0.000000 Fe\n0.622842 0.354523 0.000000 Fe\n0.145477 0.877158 0.500000 Fe\n0.854523 0.122842 0.500000 Fe\n0.354523 0.377158 0.000000 Fe\n0.645477 0.622842 0.000000 Fe\n0.500000 0.000000 0.250000 Fe\n0.000000 0.500000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.677025 0.177025 0.250000 Si\n0.322975 0.822975 0.250000 Si\n0.177025 0.322975 0.750000 Si\n0.822975 0.677025 0.750000 Si\n0.822975 0.677025 0.250000 Si\n0.177025 0.322975 0.250000 Si\n0.677025 0.177025 0.750000 Si\n0.322975 0.822975 0.750000 Si\n0.500000 0.500000 0.230171 Si\n0.000000 0.000000 0.730171 Si\n0.500000 0.500000 0.769829 Si\n0.000000 0.000000 0.269829 Si\n0.679844 0.978344 0.500000 Si\n0.320156 0.021656 0.500000 Si\n0.179844 0.521656 0.000000 Si\n0.820156 0.478344 0.000000 Si\n0.021656 0.679844 0.500000 Si\n0.978344 0.320156 0.500000 Si\n0.478344 0.179844 0.000000 Si\n0.521656 0.820156 0.000000 Si\n",
"nsites": 40,
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{
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"structure_string": "Dy8 Sb6\n1.0\n-4.599014 4.599014 4.599014\n4.599014 -4.599014 4.599014\n4.599014 4.599014 -4.599014\nDy Sb\n8 6\ndirect\n0.500000 0.000000 0.144484 Dy\n0.644484 0.500000 0.000000 Dy\n0.000000 0.644484 0.500000 Dy\n0.855516 0.855516 0.855516 Dy\n0.000000 0.144484 0.500000 Dy\n0.355516 0.355516 0.355516 Dy\n0.144484 0.500000 0.000000 Dy\n0.500000 0.000000 0.644484 Dy\n0.625000 0.750000 0.375000 Sb\n0.750000 0.375000 0.625000 Sb\n0.250000 0.125000 0.875000 Sb\n0.375000 0.625000 0.750000 Sb\n0.125000 0.875000 0.250000 Sb\n0.875000 0.250000 0.125000 Sb\n",
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"formula_full": "Dy8 Sb6",
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{
"id": "mp-1360281",
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"structure_string": "Mg18 Si10\n1.0\n-7.964695 0.000000 0.000000\n3.888399 7.079754 0.000000\n-0.348493 -4.395605 -9.627426\nMg Si\n18 10\ndirect\n0.353772 0.362146 0.385597 Mg\n0.758656 0.623254 0.554871 Mg\n0.057935 0.695594 0.379439 Mg\n0.023722 0.268932 0.550351 Mg\n0.656602 0.988541 0.373933 Mg\n0.510050 0.988182 0.592403 Mg\n0.182039 0.205414 0.873185 Mg\n0.290577 0.503581 0.040565 Mg\n0.881266 0.501599 0.881232 Mg\n0.937035 0.795043 0.031422 Mg\n0.245910 0.862760 0.884579 Mg\n0.564132 0.130740 0.039986 Mg\n0.460060 0.260734 0.708827 Mg\n0.671761 0.756033 0.207186 Mg\n0.166317 0.599734 0.699946 Mg\n0.969409 0.387169 0.207782 Mg\n0.553823 0.605348 0.821320 Mg\n0.290130 0.096982 0.205130 Mg\n0.900143 0.888150 0.728677 Si\n0.135295 0.956851 0.586323 Si\n0.000450 0.029163 0.335994 Si\n0.918728 0.148119 0.018214 Si\n0.826769 0.254831 0.741890 Si\n0.311403 0.747862 0.213363 Si\n0.617788 0.933366 0.887393 Si\n0.628204 0.438265 0.131228 Si\n0.700341 0.352705 0.395538 Si\n0.387683 0.618932 0.523846 Si\n",
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{
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"structure_string": "Mg14 Cd1 W1\n1.0\n6.294438 0.000000 0.000000\n-3.147219 5.451143 0.000000\n-0.000000 -0.000000 9.961206\nMg Cd W\n14 1 1\ndirect\n0.167302 0.833651 0.125000 Mg\n0.166880 0.833439 0.625000 Mg\n0.666349 0.332698 0.125000 Mg\n0.666561 0.333120 0.625000 Mg\n0.666349 0.833651 0.125000 Mg\n0.666561 0.833439 0.625000 Mg\n0.326675 0.173325 0.367278 Mg\n0.326675 0.173325 0.882722 Mg\n0.326675 0.653350 0.367278 Mg\n0.326675 0.653350 0.882722 Mg\n0.846650 0.173325 0.367278 Mg\n0.846650 0.173325 0.882722 Mg\n0.833333 0.666667 0.373980 Mg\n0.833333 0.666667 0.876020 Mg\n0.166667 0.333333 0.625000 Cd\n0.166667 0.333333 0.125000 W\n",
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"elements": [
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{
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"structure_string": "La1 Re1 B1\n1.0\n0.000000 3.047979 3.047979\n3.047979 0.000000 3.047979\n3.047979 3.047979 0.000000\nLa Re B\n1 1 1\ndirect\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Re\n0.000000 0.000000 0.000000 B\n",
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{
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{
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