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{
"id": "mp-768661",
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"structure_string": "Na2 Fe2 C2 S2 O14\n1.0\n6.592414 0.000000 0.000000\n0.000000 5.303850 0.000000\n0.000000 0.302241 9.121181\nNa Fe C S O\n2 2 2 2 14\ndirect\n0.511047 0.765977 0.784237 Na\n0.011047 0.234023 0.215763 Na\n0.230843 0.220849 0.659281 Fe\n0.730843 0.779151 0.340719 Fe\n0.260552 0.275190 0.922131 C\n0.760552 0.724810 0.077869 C\n0.744197 0.274307 0.567584 S\n0.244197 0.725693 0.432416 S\n0.754535 0.691855 0.944564 O\n0.258322 0.052343 0.858963 O\n0.264968 0.462035 0.819201 O\n0.924181 0.217768 0.660257 O\n0.562790 0.193916 0.652519 O\n0.258090 0.861878 0.572623 O\n0.732624 0.552610 0.531760 O\n0.232624 0.447390 0.468240 O\n0.758090 0.138122 0.427377 O\n0.062790 0.806084 0.347481 O\n0.424181 0.782232 0.339743 O\n0.764968 0.537965 0.180799 O\n0.758322 0.947657 0.141037 O\n0.254535 0.308145 0.055436 O\n",
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{
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"structure_string": "Li4 Mn4 Si4 O16\n1.0\n10.045670 0.000000 0.000000\n0.000000 4.824483 0.000000\n0.000000 0.009326 6.016169\nLi Mn Si O\n4 4 4 16\ndirect\n0.304013 0.751401 0.256562 Li\n0.786515 0.260875 0.248423 Li\n0.286515 0.739125 0.751577 Li\n0.804013 0.248599 0.743438 Li\n0.023060 0.729884 0.996887 Mn\n0.071208 0.232039 0.496718 Mn\n0.571208 0.767961 0.503282 Mn\n0.523060 0.270116 0.003113 Mn\n0.203967 0.183414 0.016923 Si\n0.891032 0.687291 0.482606 Si\n0.391032 0.312709 0.517394 Si\n0.703967 0.816586 0.983077 Si\n0.358204 0.066890 0.021016 O\n0.192739 0.521013 0.008140 O\n0.628218 0.982385 0.190578 O\n0.133202 0.030551 0.235660 O\n0.956267 0.534951 0.259504 O\n0.237698 0.434256 0.504943 O\n0.900556 0.025084 0.488847 O\n0.472240 0.479336 0.315316 O\n0.972240 0.520664 0.684684 O\n0.400556 0.974916 0.511153 O\n0.737698 0.565744 0.495057 O\n0.456267 0.465049 0.740496 O\n0.633202 0.969449 0.764340 O\n0.128218 0.017615 0.809422 O\n0.692739 0.478987 0.991860 O\n0.858204 0.933110 0.978984 O\n",
"nsites": 28,
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"volume": 291.57461807061713,
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"formula_full": "Li4 Mn4 Si4 O16",
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"updated_at": "2021-11-28T01:38:01.105000Z",
"spacegroup": 4
},
{
"id": "mp-1044771",
"created_at": "2022-09-04T14:47:16.620568Z",
"structure_string": "Ca2 Pr2 W4 O12\n1.0\n5.636436 0.000000 0.000000\n0.000000 5.902265 0.000000\n0.000000 0.088143 8.055200\nCa Pr W O\n2 2 4 12\ndirect\n0.517595 0.804655 0.741269 Ca\n0.017595 0.195345 0.258731 Ca\n0.979876 0.307561 0.739896 Pr\n0.479876 0.692439 0.260104 Pr\n0.998972 0.751994 0.500438 W\n0.000486 0.752116 0.999539 W\n0.500486 0.247884 0.000461 W\n0.498972 0.248006 0.499562 W\n0.891717 0.786981 0.240819 O\n0.808903 0.054531 0.557528 O\n0.804889 0.042976 0.940822 O\n0.698626 0.540215 0.940442 O\n0.688952 0.554263 0.557623 O\n0.609813 0.284726 0.240616 O\n0.391717 0.213019 0.759181 O\n0.308903 0.945469 0.442472 O\n0.304889 0.957024 0.059178 O\n0.188952 0.445737 0.442377 O\n0.198626 0.459785 0.059558 O\n0.109813 0.715274 0.759384 O\n",
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],
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"formula_full": "Ca2 Pr2 W4 O12",
"formula_reduced": "CaPr(WO3)2",
"formula_anonymous": "ABC2D6",
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{
"id": "mp-780314",
"created_at": "2022-09-04T14:47:17.181732Z",
"structure_string": "Li6 V4 P8 H4 O32\n1.0\n8.078435 0.000000 0.000000\n0.000000 7.883896 0.000000\n0.000000 3.661710 9.036278\nLi V P H O\n6 4 8 4 32\ndirect\n0.866852 0.092944 0.777557 Li\n0.631600 0.600985 0.773084 Li\n0.132101 0.406282 0.730596 Li\n0.366852 0.907056 0.222443 Li\n0.632101 0.593718 0.269404 Li\n0.131600 0.399015 0.226916 Li\n0.496264 0.237621 0.751083 V\n0.003817 0.754294 0.747242 V\n0.503817 0.245706 0.252758 V\n0.996264 0.762379 0.248917 V\n0.151815 0.020560 0.932691 P\n0.348389 0.509928 0.932124 P\n0.648970 0.981900 0.568929 P\n0.148970 0.018100 0.431071 P\n0.842478 0.485456 0.565275 P\n0.342478 0.514544 0.434725 P\n0.651815 0.979440 0.067309 P\n0.848389 0.490072 0.067876 P\n0.489920 0.732870 0.985865 H\n0.488940 0.744236 0.494414 H\n0.988940 0.255764 0.505586 H\n0.989920 0.267130 0.014135 H\n0.054555 0.198130 0.904638 O\n0.671184 0.101597 0.898804 O\n0.327447 0.067951 0.866128 O\n0.050596 0.911974 0.859033 O\n0.452389 0.687055 0.902807 O\n0.828147 0.603174 0.900942 O\n0.182001 0.558106 0.852731 O\n0.454578 0.400884 0.857755 O\n0.546388 0.100348 0.642999 O\n0.815370 0.942263 0.651755 O\n0.166624 0.893032 0.594373 O\n0.560043 0.802145 0.592688 O\n0.951609 0.586896 0.639338 O\n0.674732 0.434934 0.646281 O\n0.060043 0.197855 0.407312 O\n0.666624 0.106968 0.405627 O\n0.321706 0.397238 0.601944 O\n0.936803 0.301755 0.591388 O\n0.315370 0.057737 0.348245 O\n0.046388 0.899652 0.357001 O\n0.436803 0.698245 0.408612 O\n0.821706 0.602762 0.398056 O\n0.174732 0.565066 0.353719 O\n0.451609 0.413104 0.360662 O\n0.550596 0.088026 0.140967 O\n0.827447 0.932049 0.133872 O\n0.171184 0.898403 0.101196 O\n0.554555 0.801870 0.095362 O\n0.954578 0.599116 0.142245 O\n0.682001 0.441894 0.147269 O\n0.328147 0.396826 0.099058 O\n0.952389 0.312945 0.097193 O\n",
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],
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"formula_full": "Li6 V4 P8 H4 O32",
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{
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"created_at": "2022-09-04T14:47:18.362427Z",
"structure_string": "V6 H6 O18\n1.0\n8.697049 0.000000 0.000000\n0.000000 5.045689 0.000000\n0.000000 1.900677 7.638929\nV H O\n6 6 18\ndirect\n0.557763 0.531163 0.185990 V\n0.057763 0.468837 0.814010 V\n0.449254 0.470244 0.815004 V\n0.949254 0.529756 0.184996 V\n0.753151 0.057311 0.078132 V\n0.253151 0.942689 0.921868 V\n0.845472 0.913018 0.578291 H\n0.747003 0.169589 0.440386 H\n0.662856 0.901757 0.592349 H\n0.345472 0.086982 0.421709 H\n0.247003 0.830411 0.559614 H\n0.162856 0.098243 0.407651 H\n0.593529 0.323158 0.003498 O\n0.093529 0.676842 0.996502 O\n0.412791 0.677335 0.996913 O\n0.912791 0.322665 0.003087 O\n0.604947 0.847669 0.233483 O\n0.104947 0.152331 0.766517 O\n0.402907 0.154645 0.767085 O\n0.902907 0.845355 0.232915 O\n0.753055 0.365566 0.263975 O\n0.253055 0.634434 0.736025 O\n0.753422 0.879854 0.931176 O\n0.253422 0.120146 0.068824 O\n0.448163 0.363925 0.344635 O\n0.948163 0.636075 0.655365 O\n0.560245 0.640629 0.658461 O\n0.060245 0.359371 0.341539 O\n0.752254 0.035365 0.563565 O\n0.252254 0.964635 0.436435 O\n",
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{
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"structure_string": "Na4 Li8 Ni4 P4 C4 O28\n1.0\n0.366694 5.054724 0.000037\n-0.001249 0.000137 13.142522\n8.461381 0.140520 -0.000733\nNa Li Ni P C O\n4 8 4 4 4 28\ndirect\n0.271980 0.010835 0.266840 Na\n0.271978 0.510892 0.266899 Na\n0.727834 0.260994 0.733179 Na\n0.727943 0.761010 0.733143 Na\n0.786074 0.136900 0.102172 Li\n0.786170 0.636856 0.102138 Li\n0.213916 0.386883 0.897876 Li\n0.213942 0.886922 0.897776 Li\n0.263769 0.247418 0.276846 Li\n0.263965 0.747390 0.276855 Li\n0.736180 0.997531 0.723181 Li\n0.736181 0.497560 0.723221 Li\n0.790025 0.875692 0.336574 Ni\n0.210219 0.625757 0.663289 Ni\n0.789719 0.375710 0.336783 Ni\n0.210132 0.125778 0.663231 Ni\n0.730083 0.128072 0.411730 P\n0.730180 0.628035 0.411704 P\n0.269801 0.378037 0.588306 P\n0.269897 0.878035 0.588245 P\n0.689117 0.382099 0.047362 C\n0.689140 0.882120 0.047266 C\n0.310816 0.132071 0.952684 C\n0.310989 0.632065 0.952707 C\n0.388981 0.144473 0.092586 O\n0.389143 0.644428 0.092623 O\n0.610988 0.394575 0.907468 O\n0.611007 0.894633 0.907384 O\n0.937549 0.381426 0.073971 O\n0.937605 0.881480 0.073891 O\n0.062374 0.131453 0.926064 O\n0.062549 0.631439 0.926102 O\n0.514664 0.369816 0.169559 O\n0.514767 0.869814 0.169476 O\n0.485229 0.119901 0.830432 O\n0.485381 0.619870 0.830450 O\n0.797720 0.034166 0.302845 O\n0.797667 0.534156 0.302876 O\n0.202196 0.284251 0.697236 O\n0.202249 0.784242 0.697281 O\n0.843704 0.219272 0.308818 O\n0.843814 0.719263 0.308695 O\n0.156162 0.469348 0.691184 O\n0.156313 0.969340 0.691059 O\n0.148600 0.370682 0.427954 O\n0.148711 0.870616 0.427927 O\n0.851265 0.120792 0.572095 O\n0.851369 0.620807 0.572031 O\n0.423176 0.139448 0.443553 O\n0.423240 0.639477 0.443588 O\n0.576710 0.389428 0.556451 O\n0.576837 0.889367 0.556349 O\n",
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{
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{
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