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{
"id": "mp-1098297",
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{
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{
"id": "mp-1191532",
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"structure_string": "Ho10 In8 Ni4\n1.0\n8.009043 0.000000 0.000000\n0.000000 17.984612 0.000000\n0.000000 0.000000 3.547170\nHo In Ni\n10 8 4\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.759668 0.277995 0.000000 Ho\n0.240332 0.722005 0.000000 Ho\n0.740332 0.777995 0.000000 Ho\n0.259668 0.222005 0.000000 Ho\n0.624960 0.087546 0.000000 Ho\n0.375040 0.912454 0.000000 Ho\n0.875040 0.587546 0.000000 Ho\n0.124960 0.412454 0.000000 Ho\n0.700214 0.930627 0.500000 In\n0.299786 0.069373 0.500000 In\n0.799786 0.430627 0.500000 In\n0.200214 0.569373 0.500000 In\n0.562276 0.652070 0.500000 In\n0.437724 0.347930 0.500000 In\n0.937724 0.152070 0.500000 In\n0.062276 0.847930 0.500000 In\n0.540700 0.195621 0.500000 Ni\n0.459300 0.804379 0.500000 Ni\n0.959300 0.695621 0.500000 Ni\n0.040700 0.304379 0.500000 Ni\n",
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{
"id": "mp-772515",
"created_at": "2022-09-04T14:48:01.943339Z",
"structure_string": "Na2 Li10 Mn4 P4 C4 O28\n1.0\n6.643176 0.000000 0.000000\n-0.053159 8.649343 0.000000\n-0.024382 -0.335851 10.012355\nNa Li Mn P C O\n2 10 4 4 4 28\ndirect\n0.245298 0.913891 0.376124 Na\n0.500077 0.248178 0.375610 Na\n0.248566 0.920531 0.871630 Li\n0.025692 0.732882 0.616173 Li\n0.473810 0.733119 0.615759 Li\n0.025410 0.732054 0.110972 Li\n0.475236 0.734278 0.111632 Li\n0.523437 0.262842 0.883036 Li\n0.974288 0.264600 0.883945 Li\n0.972946 0.272153 0.388376 Li\n0.756172 0.083026 0.630949 Li\n0.762835 0.087657 0.125356 Li\n0.750997 0.650111 0.885707 Mn\n0.747253 0.643038 0.389277 Mn\n0.245254 0.354155 0.618965 Mn\n0.248742 0.351675 0.108910 Mn\n0.250859 0.595072 0.854771 P\n0.242836 0.585567 0.357172 P\n0.748919 0.409232 0.651255 P\n0.754370 0.409294 0.142446 P\n0.750319 0.962538 0.864276 C\n0.759259 0.956199 0.361486 C\n0.249460 0.047747 0.641866 C\n0.250452 0.038698 0.127231 C\n0.251191 0.898004 0.656732 O\n0.249894 0.890493 0.145576 O\n0.752743 0.919991 0.986504 O\n0.750250 0.920122 0.486161 O\n0.751023 0.859638 0.765822 O\n0.744358 0.848664 0.267650 O\n0.067317 0.689059 0.907437 O\n0.435723 0.689739 0.907288 O\n0.062468 0.683593 0.409863 O\n0.432173 0.672061 0.413492 O\n0.249202 0.588917 0.698083 O\n0.752068 0.578888 0.602913 O\n0.247427 0.582303 0.200509 O\n0.750952 0.578438 0.094594 O\n0.251837 0.424638 0.899914 O\n0.756258 0.418057 0.807564 O\n0.229577 0.416389 0.402697 O\n0.767236 0.417815 0.298342 O\n0.560247 0.316608 0.604690 O\n0.928619 0.311607 0.596538 O\n0.565876 0.313178 0.096897 O\n0.933659 0.312904 0.085327 O\n0.244103 0.139334 0.747077 O\n0.251332 0.135409 0.229972 O\n0.252421 0.106382 0.524873 O\n0.249581 0.091588 0.008122 O\n0.747519 0.108576 0.835087 O\n0.782459 0.099070 0.327351 O\n",
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"density_atomic": 0.09038746899551504,
"volume": 575.3009856109612,
"volume_molar": 6.662583682146044,
"formula_full": "Na2 Li10 Mn4 P4 C4 O28",
"formula_reduced": "NaLi5Mn2P2(CO7)2",
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"energy": -380.20480186,
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{
"id": "mp-17477",
"created_at": "2022-09-04T14:48:01.945631Z",
"structure_string": "Al4 Fe4 P4 O20\n1.0\n0.001473 -0.000118 5.559674\n7.154315 -0.000053 -1.027720\n-0.000113 10.647227 -0.000222\nAl Fe P O\n4 4 4 20\ndirect\n0.555506 0.357775 0.173983 Al\n0.944498 0.642220 0.673974 Al\n0.444518 0.642224 0.826016 Al\n0.055523 0.357773 0.326024 Al\n0.609526 0.017077 0.355506 Fe\n0.890513 0.982938 0.855469 Fe\n0.390456 0.982908 0.644503 Fe\n0.109475 0.017046 0.144522 Fe\n0.069557 0.777038 0.403210 P\n0.430429 0.222958 0.903205 P\n0.930437 0.222968 0.596795 P\n0.569568 0.777051 0.096793 P\n0.759036 0.269248 0.276471 O\n0.741002 0.730743 0.776468 O\n0.241001 0.730724 0.723510 O\n0.259038 0.269244 0.223544 O\n0.111687 0.603718 0.326143 O\n0.388306 0.396282 0.826145 O\n0.888315 0.396284 0.673858 O\n0.611695 0.603726 0.173857 O\n0.596328 0.283244 0.017352 O\n0.903636 0.716745 0.517347 O\n0.403670 0.716755 0.982640 O\n0.096347 0.283254 0.482658 O\n0.942920 0.909631 0.319405 O\n0.557048 0.090365 0.819393 O\n0.057074 0.090389 0.680606 O\n0.442939 0.909653 0.180597 O\n0.682332 0.121247 0.548078 O\n0.817647 0.878769 0.048074 O\n0.317642 0.878760 0.451933 O\n0.182330 0.121245 0.951920 O\n",
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{
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"created_at": "2022-09-04T14:48:01.752867Z",
"structure_string": "Cd6 I12\n1.0\n2.166008 -3.751636 0.000000\n2.166008 3.751636 0.000000\n0.000000 0.000000 44.456566\nCd I\n6 12\ndirect\n0.333333 0.666667 0.250012 Cd\n0.000000 0.000000 0.416628 Cd\n0.000000 0.000000 0.083316 Cd\n0.000000 0.000000 0.583372 Cd\n0.000000 0.000000 0.916684 Cd\n0.666667 0.333333 0.749988 Cd\n0.666667 0.333333 0.377780 I\n0.333333 0.666667 0.122178 I\n0.666667 0.333333 0.877822 I\n0.333333 0.666667 0.955481 I\n0.666667 0.333333 0.544469 I\n0.333333 0.666667 0.455531 I\n0.333333 0.666667 0.788846 I\n0.666667 0.333333 0.211154 I\n0.000000 0.000000 0.711121 I\n0.333333 0.666667 0.622220 I\n0.000000 0.000000 0.288879 I\n0.666667 0.333333 0.044519 I\n",
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{
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{
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{
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{
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},
{
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"created_at": "2022-09-04T14:48:01.929969Z",
"structure_string": "Rb8 Ta4 Cu4 Se8\n1.0\n5.649379 0.000000 0.000000\n2.824689 6.289533 0.000000\n2.824689 0.000000 22.865906\nRb Ta Cu Se\n8 4 4 8\ndirect\n0.617879 0.262993 0.590319 Rb\n0.791802 0.737007 0.590319 Rb\n0.119127 0.262993 0.409681 Rb\n0.132121 0.237007 0.909681 Rb\n0.471191 0.737007 0.409681 Rb\n0.958198 0.762993 0.909681 Rb\n0.630873 0.237007 0.090319 Rb\n0.278809 0.762993 0.090319 Rb\n0.875000 0.250000 0.250000 Ta\n0.875000 0.750000 0.250000 Ta\n0.875000 0.250000 0.750000 Ta\n0.375000 0.750000 0.750000 Ta\n0.375000 0.250000 0.250000 Cu\n0.375000 0.750000 0.250000 Cu\n0.375000 0.250000 0.750000 Cu\n0.875000 0.750000 0.750000 Cu\n0.108938 0.221460 0.151788 Se\n0.739274 0.778540 0.151788 Se\n0.669601 0.221460 0.848212 Se\n0.641062 0.278540 0.348212 Se\n0.482186 0.778540 0.848212 Se\n0.010726 0.721460 0.348212 Se\n0.080399 0.278540 0.651788 Se\n0.267814 0.721460 0.651788 Se\n",
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"updated_at": "2021-11-28T01:38:26.878000Z",
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},
{
"id": "mp-767011",
"created_at": "2022-09-04T14:48:01.948883Z",
"structure_string": "Li7 Mn3 Si2 O12\n1.0\n4.226408 2.541588 0.000000\n-4.226408 2.541588 0.000000\n0.000000 1.130946 9.718457\nLi Mn Si O\n7 3 2 12\ndirect\n0.748997 0.748997 0.760352 Li\n0.000000 0.000000 0.000000 Li\n0.916269 0.590312 0.245585 Li\n0.409688 0.083731 0.754415 Li\n0.251003 0.251003 0.239648 Li\n0.590312 0.916269 0.245585 Li\n0.083731 0.409688 0.754415 Li\n0.500000 0.500000 0.500000 Mn\n0.833374 0.166626 0.500000 Mn\n0.166626 0.833374 0.500000 Mn\n0.668134 0.331866 0.000000 Si\n0.331866 0.668134 0.000000 Si\n0.902878 0.902878 0.376585 O\n0.023902 0.652272 0.898584 O\n0.765990 0.432261 0.620897 O\n0.594403 0.594403 0.104096 O\n0.976098 0.347728 0.101416 O\n0.567739 0.234010 0.379103 O\n0.405597 0.405597 0.895904 O\n0.097122 0.097122 0.623415 O\n0.432261 0.765990 0.620897 O\n0.652272 0.023902 0.898584 O\n0.347728 0.976098 0.101416 O\n0.234010 0.567739 0.379103 O\n",
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],
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"volume": 208.78720676145048,
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"formula_full": "Li7 Mn3 Si2 O12",
"formula_reduced": "Li7Mn3(SiO6)2",
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"updated_at": "2021-11-28T01:38:25.535000Z",
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}
]
}