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{
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{
"id": "mp-1174710",
"created_at": "2022-09-04T14:48:19.252581Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.973711 0.000000 0.000000\n0.432968 5.945966 0.000000\n1.362581 1.668309 14.135243\nLi Mn Co O\n8 2 4 14\ndirect\n0.005688 0.496949 0.995488 Li\n0.575948 0.795528 0.853059 Li\n0.139409 0.075850 0.719077 Li\n0.426151 0.212785 0.144808 Li\n0.858494 0.927495 0.284516 Li\n0.285002 0.642963 0.429222 Li\n0.711560 0.358005 0.574310 Li\n0.567623 0.278302 0.853594 Li\n0.005101 0.007186 0.995424 Mn\n0.285857 0.141500 0.429361 Mn\n0.137062 0.560767 0.720678 Co\n0.712435 0.854247 0.573508 Co\n0.859182 0.431005 0.285009 Co\n0.435882 0.716651 0.143241 Co\n0.520334 0.775347 0.005640 O\n0.061132 0.029403 0.867072 O\n0.617466 0.342176 0.713483 O\n0.899631 0.477424 0.147676 O\n0.328729 0.190031 0.289681 O\n0.755934 0.893692 0.435632 O\n0.183268 0.617484 0.582530 O\n0.476778 0.220052 0.000476 O\n0.079926 0.543861 0.843996 O\n0.670842 0.808460 0.707309 O\n0.960469 0.950284 0.137131 O\n0.384700 0.667471 0.278669 O\n0.814404 0.390127 0.421895 O\n0.240995 0.094958 0.567513 O\n",
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{
"id": "mp-1196285",
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"structure_string": "S12 N24 O24\n1.0\n6.404986 0.000000 0.000000\n0.000000 12.257434 0.000000\n0.000000 1.813446 14.577210\nS N O\n12 24 24\ndirect\n0.601719 0.743398 0.523838 S\n0.101719 0.256602 0.976162 S\n0.398281 0.256602 0.476162 S\n0.898281 0.743398 0.023838 S\n0.433777 0.886685 0.369719 S\n0.933777 0.113315 0.130281 S\n0.566223 0.113315 0.630281 S\n0.066223 0.886685 0.869719 S\n0.416856 0.651578 0.371029 S\n0.916856 0.348422 0.128971 S\n0.583144 0.348422 0.628971 S\n0.083144 0.651578 0.871029 S\n0.579946 0.864643 0.462289 N\n0.079946 0.135357 0.037711 N\n0.420054 0.135357 0.537711 N\n0.920054 0.864643 0.962289 N\n0.421404 0.776969 0.316047 N\n0.921404 0.223031 0.183953 N\n0.578596 0.223031 0.683953 N\n0.078596 0.776969 0.816047 N\n0.568115 0.642261 0.461909 N\n0.068115 0.357739 0.038091 N\n0.431885 0.357739 0.538091 N\n0.931885 0.642261 0.961909 N\n0.097931 0.916868 0.606476 N\n0.597931 0.083132 0.893524 N\n0.902069 0.083132 0.393524 N\n0.402069 0.916868 0.106476 N\n0.115189 0.547190 0.609754 N\n0.615189 0.452810 0.890246 N\n0.884811 0.452810 0.390246 N\n0.384811 0.547190 0.109754 N\n0.896521 0.783239 0.273925 N\n0.396521 0.216761 0.226075 N\n0.103479 0.216761 0.726075 N\n0.603479 0.783239 0.773925 N\n0.425694 0.738817 0.586470 O\n0.925694 0.261183 0.913530 O\n0.574306 0.261183 0.413530 O\n0.074306 0.738817 0.086470 O\n0.809710 0.734903 0.559067 O\n0.309710 0.265097 0.940933 O\n0.190290 0.265097 0.440933 O\n0.690290 0.734903 0.059067 O\n0.225679 0.902148 0.404733 O\n0.725679 0.097852 0.095267 O\n0.774321 0.097852 0.595267 O\n0.274321 0.902148 0.904733 O\n0.530766 0.971874 0.308811 O\n0.030766 0.028126 0.191189 O\n0.469234 0.028126 0.691189 O\n0.969234 0.971874 0.808811 O\n0.205444 0.634482 0.405540 O\n0.705444 0.365518 0.094460 O\n0.794556 0.365518 0.594460 O\n0.294556 0.634482 0.905540 O\n0.499493 0.579455 0.310311 O\n0.999493 0.420545 0.189689 O\n0.500507 0.420545 0.689689 O\n0.000507 0.579455 0.810311 O\n",
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"formula_full": "S12 N24 O24",
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},
{
"id": "mp-778486",
"created_at": "2022-09-04T14:48:19.213142Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n4.854654 -8.295318 -0.006062\n4.858085 8.297328 -0.004300\n2.582949 0.001325 6.675850\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.070523 0.431820 0.325041 Li\n0.319271 0.180690 0.674270 Li\n0.567130 0.928440 0.325728 Li\n0.820174 0.680856 0.675924 Li\n0.257717 0.257216 0.269945 Mn\n0.991912 0.490065 0.730712 Mn\n0.757672 0.756958 0.271786 V\n0.493979 0.994247 0.727520 V\n0.350585 0.529665 0.518451 P\n0.850972 0.030179 0.521760 P\n0.666973 0.454929 0.087097 P\n0.172425 0.955431 0.088447 P\n0.294034 0.580251 0.910920 P\n0.795276 0.079504 0.913650 P\n0.219104 0.897682 0.483367 P\n0.721543 0.401500 0.476991 P\n0.191075 0.124673 0.084628 O\n0.017102 0.193609 0.391859 O\n0.201910 0.043321 0.505214 O\n0.278927 0.481569 0.112379 O\n0.482750 0.309914 0.150131 O\n0.336951 0.371103 0.480916 O\n0.205124 0.545616 0.494919 O\n0.700173 0.043218 0.506672 O\n0.557483 0.234732 0.604432 O\n0.055537 0.728629 0.609297 O\n0.627513 0.060274 0.916120 O\n0.125199 0.561709 0.911232 O\n0.344280 0.499232 0.750921 O\n0.750120 0.404740 0.246231 O\n0.250500 0.904390 0.250566 O\n0.686485 0.623570 0.087571 O\n0.519863 0.693723 0.395710 O\n0.708509 0.551314 0.492299 O\n0.878768 0.415836 0.517976 O\n0.378984 0.915476 0.517829 O\n0.938889 0.263253 0.855700 O\n0.437981 0.764612 0.846257 O\n0.276797 0.970700 0.888252 O\n0.766394 0.471165 0.885817 O\n0.778761 0.974583 0.113531 O\n0.989102 0.814583 0.147054 O\n0.833396 0.871464 0.482542 O\n0.846556 0.999141 0.752333 O\n",
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"elements": [
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],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.885926121918664,
"density_atomic": 0.0817597457013041,
"volume": 538.162143516772,
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"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
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"energy": -342.68520018,
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},
{
"id": "mp-1222044",
"created_at": "2022-09-04T14:48:19.273979Z",
"structure_string": "Mn1 Bi12 W2 Cl3 O24\n1.0\n2.755195 8.468157 0.000000\n-2.755195 8.468157 0.000000\n0.000000 5.644400 14.440920\nMn Bi W Cl O\n1 12 2 3 24\ndirect\n0.330459 0.330459 0.999991 Mn\n0.791873 0.791873 0.641372 Bi\n0.457738 0.457738 0.641246 Bi\n0.126812 0.126812 0.638569 Bi\n0.885788 0.885788 0.361444 Bi\n0.552935 0.552935 0.358706 Bi\n0.218566 0.218566 0.358660 Bi\n0.259209 0.259209 0.825326 Bi\n0.922493 0.922493 0.820845 Bi\n0.585466 0.585466 0.813754 Bi\n0.461291 0.461291 0.186367 Bi\n0.142781 0.142781 0.174587 Bi\n0.803155 0.803155 0.179099 Bi\n0.992573 0.992573 0.999996 W\n0.663196 0.663196 0.000008 W\n0.001560 0.001560 0.499490 Cl\n0.668241 0.668241 0.498847 Cl\n0.333729 0.333729 0.501683 Cl\n0.822939 0.325136 0.999967 O\n0.485476 0.986627 0.000009 O\n0.150988 0.675033 0.000008 O\n0.325136 0.822939 0.999967 O\n0.986627 0.485476 0.000009 O\n0.675033 0.150988 0.000008 O\n0.596184 0.099430 0.718019 O\n0.262511 0.767829 0.714975 O\n0.925709 0.436362 0.712891 O\n0.244896 0.734276 0.287254 O\n0.911450 0.408119 0.281928 O\n0.577839 0.072601 0.284980 O\n0.734276 0.244896 0.287254 O\n0.408119 0.911450 0.281928 O\n0.072601 0.577839 0.284980 O\n0.099430 0.596184 0.718019 O\n0.767829 0.262511 0.714975 O\n0.436362 0.925709 0.712891 O\n0.037192 0.037192 0.861147 O\n0.695527 0.695527 0.864858 O\n0.370017 0.370017 0.865929 O\n0.280662 0.280662 0.134059 O\n0.944693 0.944693 0.138828 O\n0.605431 0.605431 0.135125 O\n",
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"spacegroup": 8
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{
"id": "mp-1176650",
"created_at": "2022-09-04T14:48:19.276132Z",
"structure_string": "Li4 Mn4 V4 P16 O56\n1.0\n-8.187051 0.000000 0.000000\n0.340896 9.731745 0.000000\n-0.006142 -4.373077 -13.300771\nLi Mn V P O\n4 4 4 16 56\ndirect\n0.357369 0.290962 0.039078 Li\n0.862850 0.960667 0.709163 Li\n0.862770 0.211500 0.459503 Li\n0.863864 0.711107 0.960774 Li\n0.992658 0.261491 0.018144 Mn\n0.006108 0.753210 0.511676 Mn\n0.007886 0.004130 0.262973 Mn\n0.007034 0.503561 0.762432 Mn\n0.505246 0.491419 0.236151 V\n0.495226 0.987612 0.729466 V\n0.493611 0.238336 0.480780 V\n0.495493 0.737775 0.981698 V\n0.288750 0.737208 0.175350 P\n0.681836 0.462537 0.020368 P\n0.782095 0.763834 0.327487 P\n0.679776 0.962888 0.521455 P\n0.175515 0.288901 0.229707 P\n0.780180 0.013778 0.078614 P\n0.286618 0.488693 0.424010 P\n0.678090 0.213097 0.272326 P\n0.176183 0.789686 0.731273 P\n0.781012 0.514316 0.578037 P\n0.289404 0.986147 0.923032 P\n0.679121 0.712682 0.771945 P\n0.176649 0.039512 0.481531 P\n0.287762 0.238932 0.674511 P\n0.177747 0.540805 0.982145 P\n0.781284 0.264050 0.828196 P\n0.685675 0.880707 0.008957 O\n0.932021 0.965327 0.121316 O\n0.438543 0.778788 0.120756 O\n0.151160 0.660801 0.089056 O\n0.203475 0.859448 0.247314 O\n0.828230 0.872297 0.271782 O\n0.848089 0.445821 0.059122 O\n0.537855 0.435060 0.083448 O\n0.342223 0.619968 0.220810 O\n0.680149 0.638009 0.257553 O\n0.654073 0.838021 0.415680 O\n0.821188 0.119242 0.020372 O\n0.931818 0.717448 0.372920 O\n0.171795 0.891805 0.496958 O\n0.038755 0.308014 0.161676 O\n0.344520 0.323324 0.190710 O\n0.844020 0.944940 0.565549 O\n0.536290 0.941694 0.586825 O\n0.661662 0.356816 0.248619 O\n0.439561 0.532870 0.374180 O\n0.152813 0.410943 0.336639 O\n0.652469 0.087276 0.165593 O\n0.199361 0.608785 0.497047 O\n0.173863 0.142330 0.247942 O\n0.825564 0.622866 0.522822 O\n0.038979 0.817126 0.665922 O\n0.843605 0.195352 0.314577 O\n0.347002 0.822073 0.695982 O\n0.535778 0.189764 0.337309 O\n0.670946 0.857500 0.747941 O\n0.336776 0.372030 0.471746 O\n0.686765 0.381653 0.508192 O\n0.149809 0.912441 0.839238 O\n0.653062 0.586625 0.665786 O\n0.931798 0.465070 0.621867 O\n0.171608 0.642392 0.747369 O\n0.038962 0.067445 0.416277 O\n0.347111 0.071805 0.445652 O\n0.844160 0.694479 0.815143 O\n0.536496 0.692607 0.837647 O\n0.671233 0.108253 0.498400 O\n0.438953 0.279421 0.621716 O\n0.334376 0.870685 0.971549 O\n0.150526 0.161010 0.589210 O\n0.201912 0.359999 0.747560 O\n0.828037 0.371246 0.772126 O\n0.039514 0.564904 0.916195 O\n0.348053 0.571085 0.945279 O\n0.670011 0.608120 0.997931 O\n0.338282 0.122438 0.722404 O\n0.689599 0.130324 0.757665 O\n0.649405 0.336425 0.912995 O\n0.930645 0.217750 0.875469 O\n0.175971 0.391714 0.997827 O\n0.440838 0.029165 0.871209 O\n0.212999 0.115603 0.995648 O\n",
"nsites": 84,
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"formula_full": "Li4 Mn4 V4 P16 O56",
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{
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"structure_string": "Eu2 C12 N18\n1.0\n4.020720 -5.744327 0.000000\n4.020720 5.744327 0.000000\n0.000000 0.000000 10.466930\nEu C N\n2 12 18\ndirect\n0.712073 0.287927 0.250000 Eu\n0.287927 0.712073 0.750000 Eu\n0.713100 0.996804 0.558943 C\n0.447788 0.259692 0.750000 C\n0.552212 0.740308 0.250000 C\n0.003196 0.286900 0.558943 C\n0.996804 0.713100 0.441057 C\n0.996804 0.713100 0.058943 C\n0.286900 0.003196 0.058943 C\n0.003196 0.286900 0.941057 C\n0.740308 0.552212 0.750000 C\n0.259692 0.447788 0.250000 C\n0.713100 0.996804 0.941057 C\n0.286900 0.003196 0.441057 C\n0.088527 0.337895 0.250000 N\n0.849205 0.150795 0.504994 N\n0.579411 0.851452 0.593825 N\n0.420589 0.148548 0.406175 N\n0.337895 0.088527 0.750000 N\n0.148548 0.420589 0.593825 N\n0.545853 0.454147 0.750000 N\n0.150795 0.849205 0.495006 N\n0.849205 0.150795 0.995006 N\n0.454147 0.545853 0.250000 N\n0.851452 0.579411 0.093825 N\n0.420589 0.148548 0.093825 N\n0.911473 0.662105 0.750000 N\n0.150795 0.849205 0.004994 N\n0.148548 0.420589 0.906175 N\n0.851452 0.579411 0.406175 N\n0.662105 0.911473 0.250000 N\n0.579411 0.851452 0.906175 N\n",
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],
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"volume": 483.49534826791717,
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"formula_full": "Eu2 C12 N18",
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{
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