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{
"id": "mp-759443",
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"structure_string": "Li14 Cr9 P16 O56\n1.0\n11.216937 0.215428 -0.325140\n-2.816249 9.258785 -0.065259\n-5.438822 3.257786 11.070533\nLi Cr P O\n14 9 16 56\ndirect\n0.131893 0.935436 0.593195 Li\n0.023715 0.645470 0.394675 Li\n0.376694 0.042310 0.913023 Li\n0.126941 0.439636 0.082288 Li\n0.373990 0.543454 0.409750 Li\n0.492650 0.354179 0.827038 Li\n0.501721 0.855748 0.317799 Li\n0.498279 0.144252 0.682201 Li\n0.507350 0.645821 0.172962 Li\n0.626010 0.456546 0.590250 Li\n0.873059 0.560364 0.917712 Li\n0.623306 0.957690 0.086977 Li\n0.976285 0.354530 0.605325 Li\n0.868107 0.064564 0.406805 Li\n0.220362 0.698990 0.920785 Cr\n0.255348 0.567123 0.702193 Cr\n0.222492 0.196622 0.422617 Cr\n0.000000 0.000000 0.000000 Cr\n0.729672 0.927317 0.790996 Cr\n0.270328 0.072683 0.209004 Cr\n0.777508 0.803378 0.577383 Cr\n0.744652 0.432877 0.297807 Cr\n0.779638 0.301010 0.079215 Cr\n0.062433 0.976520 0.776941 P\n0.305034 0.360353 0.993201 P\n0.062099 0.475567 0.272778 P\n0.460898 0.807918 0.867460 P\n0.209514 0.235760 0.661535 P\n0.300831 0.857901 0.491655 P\n0.205796 0.739859 0.158978 P\n0.534709 0.685473 0.630930 P\n0.465291 0.314527 0.369070 P\n0.794204 0.260141 0.841022 P\n0.699169 0.142099 0.508345 P\n0.790486 0.764240 0.338465 P\n0.539102 0.192082 0.132540 P\n0.937901 0.524433 0.727222 P\n0.694966 0.639647 0.006799 P\n0.937567 0.023480 0.223059 P\n0.000952 0.581939 0.839955 O\n0.199405 0.922226 0.863072 O\n0.029324 0.537525 0.664564 O\n0.100353 0.158053 0.728274 O\n0.314061 0.741362 0.796719 O\n0.467595 0.841010 0.980006 O\n0.204075 0.715391 0.519259 O\n0.278148 0.984524 0.523822 O\n0.301719 0.397679 0.865841 O\n0.183900 0.397898 0.613677 O\n0.105131 0.658273 0.230778 O\n0.003904 0.085845 0.332959 O\n0.158411 0.159094 0.560133 O\n0.302256 0.900703 0.365621 O\n0.198224 0.418260 0.360211 O\n0.181087 0.905156 0.110037 O\n0.519499 0.941081 0.788858 O\n0.540372 0.666945 0.914083 O\n0.351519 0.202411 0.752601 O\n0.029146 0.043490 0.157479 O\n0.154569 0.665804 0.056279 O\n0.450733 0.822263 0.587634 O\n0.480002 0.550938 0.710750 O\n0.349856 0.714487 0.246849 O\n0.719882 0.510826 0.978463 O\n0.782973 0.784054 0.968093 O\n0.319983 0.242136 0.301372 O\n0.471397 0.343456 0.482780 O\n0.528603 0.656544 0.517220 O\n0.680017 0.757864 0.698628 O\n0.217027 0.215946 0.031907 O\n0.280118 0.489174 0.021537 O\n0.650144 0.285513 0.753151 O\n0.519998 0.449062 0.289250 O\n0.549267 0.177737 0.412366 O\n0.845430 0.334196 0.943721 O\n0.970854 0.956510 0.842521 O\n0.648481 0.797589 0.247399 O\n0.459628 0.333055 0.085917 O\n0.480501 0.058919 0.211142 O\n0.818913 0.094844 0.889963 O\n0.801776 0.581740 0.639789 O\n0.697744 0.099297 0.634379 O\n0.841589 0.840906 0.439867 O\n0.996096 0.914155 0.667041 O\n0.894869 0.341727 0.769222 O\n0.816100 0.602102 0.386323 O\n0.698281 0.602321 0.134159 O\n0.721852 0.015476 0.476178 O\n0.795925 0.284609 0.480741 O\n0.532405 0.158990 0.019994 O\n0.685939 0.258638 0.203281 O\n0.899647 0.841947 0.271726 O\n0.970676 0.462475 0.335436 O\n0.800595 0.077774 0.136928 O\n0.999048 0.418061 0.160045 O\n",
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"formula_full": "Li14 Cr9 P16 O56",
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"updated_at": "2021-11-28T01:34:33.903000Z",
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},
{
"id": "mp-1296374",
"created_at": "2022-09-04T14:39:42.590414Z",
"structure_string": "Li4 Mn2 Co2 O8\n1.0\n4.969140 0.057355 1.985290\n-1.116381 4.936930 2.640278\n0.979708 -4.889040 3.390239\nLi Mn Co O\n4 2 2 8\ndirect\n0.003478 0.001075 0.502001 Li\n0.996566 0.498716 0.497991 Li\n0.491369 0.752352 0.505008 Li\n0.508686 0.247310 0.495004 Li\n0.999847 0.500156 0.999936 Mn\n0.500006 0.248875 0.999932 Mn\n0.500008 0.751138 0.999990 Co\n0.000108 0.001265 0.000176 Co\n0.764832 0.861719 0.216786 O\n0.266145 0.119253 0.234271 O\n0.235108 0.645171 0.783253 O\n0.733339 0.884456 0.766143 O\n0.774119 0.360580 0.227079 O\n0.272763 0.616196 0.237006 O\n0.225852 0.133615 0.772991 O\n0.727774 0.378124 0.762431 O\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.276454114219795,
"density_atomic": 0.10744530199048953,
"volume": 148.912979009694,
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"formula_full": "Li4 Mn2 Co2 O8",
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"formula_anonymous": "ABC2D4",
"energy": -109.60317547,
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{
"id": "mp-731799",
"created_at": "2022-09-04T14:39:49.177352Z",
"structure_string": "Mg12 C6 Cl6 O36\n1.0\n7.518464 0.000000 0.000000\n-2.521009 13.127566 0.000000\n-2.496404 -6.530000 11.481347\nMg C Cl O\n12 6 6 36\ndirect\n0.660137 0.397878 0.417314 Mg\n0.264549 0.019828 0.602089 Mg\n0.244696 0.581769 0.980396 Mg\n0.764665 0.600914 0.019964 Mg\n0.156870 0.413353 0.396014 Mg\n0.744045 0.980539 0.581191 Mg\n0.134462 0.595383 0.252462 Mg\n0.540047 0.658967 0.404787 Mg\n0.882742 0.748625 0.340582 Mg\n0.039813 0.406856 0.658123 Mg\n0.635318 0.253861 0.595581 Mg\n0.382898 0.343059 0.747515 Mg\n0.864831 0.547279 0.387553 C\n0.319251 0.841439 0.452908 C\n0.477449 0.611945 0.158786 C\n0.819148 0.453359 0.841322 C\n0.363122 0.386769 0.545413 C\n0.978861 0.159996 0.613141 C\n0.539836 0.328951 0.147797 Cl\n0.195067 0.820570 0.673286 Cl\n0.387097 0.852963 0.178371 Cl\n0.701656 0.673925 0.821970 Cl\n0.017301 0.141741 0.333094 Cl\n0.876741 0.177064 0.850748 Cl\n0.540214 0.282493 0.240226 O\n0.260761 0.959730 0.719363 O\n0.301751 0.759887 0.040677 O\n0.761268 0.719252 0.960083 O\n0.029273 0.233611 0.285150 O\n0.798205 0.038573 0.757720 O\n0.913680 0.456923 0.382024 O\n0.458101 0.924650 0.542428 O\n0.532340 0.616271 0.074006 O\n0.958277 0.541982 0.925671 O\n0.410574 0.378889 0.454361 O\n0.032980 0.074878 0.617620 O\n0.712209 0.559113 0.418538 O\n0.155029 0.861383 0.441142 O\n0.293894 0.580606 0.139826 O\n0.654234 0.441092 0.860505 O\n0.210407 0.417651 0.556955 O\n0.794806 0.140773 0.581709 O\n0.959511 0.618796 0.363035 O\n0.341393 0.745703 0.381695 O\n0.596195 0.638176 0.254791 O\n0.841505 0.383579 0.745372 O\n0.459243 0.364349 0.617864 O\n0.097135 0.256421 0.638770 O\n0.280599 0.514305 0.330586 O\n0.768212 0.815758 0.482511 O\n0.953406 0.671048 0.185028 O\n0.267625 0.486614 0.814751 O\n0.782359 0.330370 0.515229 O\n0.454056 0.186086 0.671849 O\n0.882584 0.541448 0.128018 O\n0.341405 0.584041 0.458239 O\n0.757384 0.875742 0.413055 O\n0.840213 0.459557 0.584992 O\n0.383711 0.128285 0.543287 O\n0.256056 0.414929 0.872517 O\n",
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{
"id": "mp-1182695",
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"structure_string": "Li4 V4 Te4 O20\n1.0\n7.408441 0.000000 0.000000\n0.000000 10.039331 0.000000\n0.000000 0.000000 8.606977\nLi V Te O\n4 4 4 20\ndirect\n0.364237 0.156736 0.257473 Li\n0.135763 0.656736 0.742527 Li\n0.864237 0.843264 0.242527 Li\n0.635763 0.343264 0.757473 Li\n0.240227 0.196102 0.885954 V\n0.740227 0.803898 0.614046 V\n0.259773 0.696102 0.114046 V\n0.759773 0.303898 0.385954 V\n0.085158 0.371148 0.655922 Te\n0.914842 0.128852 0.155922 Te\n0.414842 0.871148 0.344078 Te\n0.585158 0.628852 0.844078 Te\n0.649493 0.525636 0.007843 O\n0.546005 0.258995 0.361465 O\n0.300917 0.557222 0.200897 O\n0.453995 0.241005 0.861465 O\n0.800917 0.442778 0.299103 O\n0.350507 0.974364 0.507843 O\n0.046005 0.741005 0.138535 O\n0.199083 0.057222 0.799103 O\n0.953995 0.758995 0.638535 O\n0.341423 0.698568 0.908191 O\n0.978396 0.011134 0.312052 O\n0.158577 0.198568 0.091809 O\n0.521604 0.511134 0.687948 O\n0.478396 0.988866 0.187948 O\n0.850507 0.025636 0.992157 O\n0.841423 0.301432 0.591809 O\n0.658577 0.801432 0.408191 O\n0.149493 0.474364 0.492157 O\n0.021604 0.488866 0.812052 O\n0.699083 0.942778 0.700897 O\n",
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{
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"structure_string": "Cs2 Li1 Dy1 Cl6\n1.0\n0.000000 5.310556 5.310556\n5.310556 0.000000 5.310556\n5.310556 5.310556 0.000000\nCs Li Dy Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Dy\n0.750671 0.249329 0.249329 Cl\n0.249329 0.249329 0.750671 Cl\n0.249329 0.750671 0.750671 Cl\n0.249329 0.750671 0.249329 Cl\n0.750671 0.249329 0.750671 Cl\n0.750671 0.750671 0.249329 Cl\n",
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{
"id": "mp-1207985",
"created_at": "2022-09-04T14:39:42.176563Z",
"structure_string": "V8 Cd12 Ge12 O48\n1.0\n-6.257657 6.257657 6.257657\n6.257657 -6.257657 6.257657\n6.257657 6.257657 -6.257657\nV Cd Ge O\n8 12 12 48\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.000000 0.500000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.250000 0.375000 0.125000 Cd\n0.750000 0.625000 0.875000 Cd\n0.750000 0.125000 0.375000 Cd\n0.125000 0.250000 0.375000 Cd\n0.375000 0.750000 0.125000 Cd\n0.250000 0.875000 0.625000 Cd\n0.875000 0.750000 0.625000 Cd\n0.625000 0.250000 0.875000 Cd\n0.375000 0.125000 0.250000 Cd\n0.625000 0.875000 0.750000 Cd\n0.125000 0.375000 0.750000 Cd\n0.875000 0.625000 0.250000 Cd\n0.250000 0.625000 0.375000 Ge\n0.750000 0.375000 0.625000 Ge\n0.750000 0.875000 0.125000 Ge\n0.375000 0.250000 0.625000 Ge\n0.625000 0.750000 0.375000 Ge\n0.250000 0.125000 0.875000 Ge\n0.125000 0.750000 0.875000 Ge\n0.875000 0.250000 0.125000 Ge\n0.625000 0.375000 0.250000 Ge\n0.375000 0.625000 0.750000 Ge\n0.875000 0.125000 0.750000 Ge\n0.125000 0.875000 0.250000 Ge\n0.484225 0.380263 0.299059 O\n0.515775 0.619737 0.700941 O\n0.581204 0.185166 0.200941 O\n0.918796 0.119737 0.603962 O\n0.299059 0.484225 0.380263 O\n0.314834 0.918796 0.299059 O\n0.418796 0.814834 0.799059 O\n0.081204 0.880263 0.396038 O\n0.700941 0.515775 0.619737 O\n0.685166 0.081204 0.700941 O\n0.015775 0.314834 0.896038 O\n0.200941 0.581204 0.185166 O\n0.119737 0.015775 0.200941 O\n0.984225 0.685166 0.103962 O\n0.799059 0.418796 0.814834 O\n0.880263 0.984225 0.799059 O\n0.603962 0.918796 0.119737 O\n0.185166 0.484225 0.603962 O\n0.396038 0.081204 0.880263 O\n0.814834 0.515775 0.396038 O\n0.896038 0.015775 0.314834 O\n0.380263 0.581204 0.896038 O\n0.103962 0.984225 0.685166 O\n0.619737 0.418796 0.103962 O\n0.380263 0.299059 0.484225 O\n0.581204 0.896038 0.380263 O\n0.619737 0.700941 0.515775 O\n0.418796 0.103962 0.619737 O\n0.119737 0.603962 0.918796 O\n0.015775 0.200941 0.119737 O\n0.880263 0.396038 0.081204 O\n0.984225 0.799059 0.880263 O\n0.314834 0.896038 0.015775 O\n0.918796 0.299059 0.314834 O\n0.685166 0.103962 0.984225 O\n0.081204 0.700941 0.685166 O\n0.185166 0.200941 0.581204 O\n0.484225 0.603962 0.185166 O\n0.814834 0.799059 0.418796 O\n0.515775 0.396038 0.814834 O\n0.299059 0.314834 0.918796 O\n0.700941 0.685166 0.081204 O\n0.200941 0.119737 0.015775 O\n0.799059 0.880263 0.984225 O\n0.896038 0.380263 0.581204 O\n0.103962 0.619737 0.418796 O\n0.603962 0.185166 0.484225 O\n0.396038 0.814834 0.515775 O\n",
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{
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"is_magnetic": true,
"total_magnetization": 16.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.981000Z",
"spacegroup": 56
}
]
}