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{
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{
"id": "mp-764299",
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"structure_string": "Li6 V3 Fe3 P12 O42\n1.0\n7.045627 0.000000 0.000000\n-0.021078 8.267855 0.000000\n-2.342036 -0.013019 13.894024\nLi V Fe P O\n6 3 3 12 42\ndirect\n0.387547 0.861337 0.058389 Li\n0.948188 0.361615 0.274472 Li\n0.717985 0.861005 0.392392 Li\n0.280325 0.360914 0.607771 Li\n0.052151 0.861935 0.725621 Li\n0.612769 0.360603 0.941311 Li\n0.990228 0.000150 0.262227 V\n0.676193 0.500131 0.404467 V\n0.010367 0.499870 0.738301 V\n0.339743 0.499941 0.072623 Fe\n0.327782 0.000111 0.594690 Fe\n0.660388 0.999706 0.927463 Fe\n0.610335 0.180500 0.133005 P\n0.985397 0.783647 0.071767 P\n0.348675 0.284160 0.261945 P\n0.721512 0.680382 0.199951 P\n0.318044 0.784246 0.404868 P\n0.055835 0.681420 0.533486 P\n0.945284 0.181010 0.466712 P\n0.681108 0.283947 0.594607 P\n0.277763 0.179527 0.799749 P\n0.651773 0.783926 0.737923 P\n0.014346 0.283495 0.928432 P\n0.390087 0.679783 0.867220 P\n0.160780 0.326248 0.016701 O\n0.160786 0.694538 0.046140 O\n0.049653 0.932894 0.133680 O\n0.579904 0.038792 0.061890 O\n0.573802 0.345063 0.083083 O\n0.527161 0.677930 0.133001 O\n0.285884 0.432662 0.199379 O\n0.446274 0.152786 0.198834 O\n0.887515 0.652260 0.134837 O\n0.174760 0.196946 0.288834 O\n0.168616 0.824886 0.317334 O\n0.805595 0.178270 0.200619 O\n0.758224 0.843274 0.251613 O\n0.753915 0.538660 0.271159 O\n0.497703 0.324731 0.349606 O\n0.491036 0.696755 0.378144 O\n0.219792 0.653050 0.468033 O\n0.381194 0.932832 0.467736 O\n0.139888 0.178306 0.533681 O\n0.912348 0.038796 0.395565 O\n0.908592 0.343523 0.415406 O\n0.092762 0.845609 0.583913 O\n0.087560 0.539528 0.604589 O\n0.860785 0.678174 0.466325 O\n0.616719 0.432854 0.532881 O\n0.778925 0.152638 0.531769 O\n0.506355 0.194857 0.621105 O\n0.504862 0.826320 0.649786 O\n0.246695 0.037735 0.728555 O\n0.241472 0.342593 0.748755 O\n0.195003 0.677891 0.799500 O\n0.829840 0.325172 0.682292 O\n0.825803 0.696327 0.711922 O\n0.111795 0.151918 0.865392 O\n0.553662 0.652482 0.801081 O\n0.715099 0.932460 0.800802 O\n0.472251 0.177870 0.867080 O\n0.426684 0.844636 0.917187 O\n0.420011 0.538375 0.938209 O\n0.950035 0.432405 0.866634 O\n0.838237 0.194231 0.953867 O\n0.838202 0.826106 0.983690 O\n",
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"formula_full": "Li6 V3 Fe3 P12 O42",
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{
"id": "mp-15004",
"created_at": "2022-09-04T14:40:13.719972Z",
"structure_string": "Ca12 Zr4 Si8 O36\n1.0\n10.331249 0.000000 0.000000\n0.000000 7.443424 0.000000\n0.000000 0.197079 10.524961\nCa Zr Si O\n12 4 8 36\ndirect\n0.922862 0.364890 0.114101 Ca\n0.422862 0.635110 0.385899 Ca\n0.077138 0.635110 0.885899 Ca\n0.577138 0.364890 0.614101 Ca\n0.324938 0.881189 0.089605 Ca\n0.824938 0.118811 0.410395 Ca\n0.675062 0.118811 0.910395 Ca\n0.175062 0.881189 0.589605 Ca\n0.303811 0.372984 0.099287 Ca\n0.803811 0.627016 0.400713 Ca\n0.696189 0.627016 0.900713 Ca\n0.196189 0.372984 0.599287 Ca\n0.563988 0.876481 0.615144 Zr\n0.063988 0.123519 0.884856 Zr\n0.436012 0.123519 0.384856 Zr\n0.936012 0.876481 0.115144 Zr\n0.135017 0.597655 0.310578 Si\n0.635017 0.402345 0.189422 Si\n0.864983 0.402345 0.689422 Si\n0.364983 0.597655 0.810578 Si\n0.124322 0.166360 0.318077 Si\n0.624322 0.833640 0.181923 Si\n0.875678 0.833640 0.681923 Si\n0.375678 0.166360 0.818077 Si\n0.392172 0.343949 0.484688 O\n0.892172 0.656051 0.015312 O\n0.607828 0.656051 0.515312 O\n0.107828 0.343949 0.984688 O\n0.110226 0.903730 0.010294 O\n0.610226 0.096270 0.489706 O\n0.889774 0.096270 0.989706 O\n0.389774 0.903730 0.510294 O\n0.166464 0.620791 0.460294 O\n0.666464 0.379209 0.039706 O\n0.833536 0.379209 0.539706 O\n0.333536 0.620791 0.960294 O\n0.000485 0.692602 0.263187 O\n0.500485 0.307398 0.236813 O\n0.876729 0.860057 0.529417 O\n0.999515 0.307398 0.736813 O\n0.235304 0.643221 0.726516 O\n0.735304 0.356779 0.773484 O\n0.764696 0.356779 0.273484 O\n0.264696 0.643221 0.226516 O\n0.763870 0.893064 0.243786 O\n0.263870 0.106936 0.256214 O\n0.236130 0.106936 0.756214 O\n0.736130 0.893064 0.743786 O\n0.394326 0.382490 0.775166 O\n0.894326 0.617510 0.724834 O\n0.605674 0.617510 0.224834 O\n0.105674 0.382490 0.275166 O\n0.003795 0.915728 0.750862 O\n0.503795 0.084272 0.749138 O\n0.996205 0.084272 0.249138 O\n0.496205 0.915728 0.250862 O\n0.623271 0.860057 0.029417 O\n0.123271 0.139943 0.470583 O\n0.376729 0.139943 0.970583 O\n0.499515 0.692602 0.763187 O\n",
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],
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"formula_full": "Ca12 Zr4 Si8 O36",
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"spacegroup": 14
},
{
"id": "mp-1237644",
"created_at": "2022-09-04T14:39:21.759290Z",
"structure_string": "Sc4 W10 Se6 O24\n1.0\n7.545462 0.000000 0.000000\n0.493953 10.281709 0.000000\n3.090280 0.752682 10.433463\nSc W Se O\n4 10 6 24\ndirect\n0.690961 0.436085 0.724220 Sc\n0.397044 0.236821 0.396392 Sc\n0.367941 0.773362 0.410198 Sc\n0.085231 0.073908 0.025827 Sc\n0.772904 0.822224 0.873007 W\n0.188266 0.960138 0.762945 W\n0.118162 0.631369 0.897858 W\n0.677247 0.516647 0.982862 W\n0.001087 0.909796 0.533727 W\n0.015189 0.359899 0.827630 W\n0.739751 0.638881 0.218190 W\n0.968312 0.213329 0.564839 W\n0.838305 0.345618 0.182699 W\n0.726419 0.106090 0.933533 W\n0.355126 0.298963 0.069743 Se\n0.447842 0.185611 0.716456 Se\n0.530552 0.762707 0.680613 Se\n0.240873 0.772227 0.118335 Se\n0.703383 0.980006 0.281116 Se\n0.129183 0.504559 0.468370 Se\n0.098257 0.908999 0.143733 O\n0.604405 0.303653 0.018515 O\n0.347048 0.142080 0.020502 O\n0.182290 0.643648 0.527915 O\n0.196645 0.179713 0.764533 O\n0.999991 0.080253 0.439181 O\n0.488425 0.048718 0.339130 O\n0.311751 0.275539 0.231883 O\n0.252382 0.748911 0.747426 O\n0.595492 0.602899 0.656291 O\n0.505530 0.206096 0.552429 O\n0.237407 0.723666 0.273519 O\n0.340880 0.428891 0.440220 O\n0.814639 0.475392 0.307488 O\n0.827243 0.809135 0.682972 O\n0.816339 0.244170 0.765846 O\n0.994736 0.420081 0.622342 O\n0.612223 0.830367 0.258763 O\n0.682782 0.708926 0.037288 O\n0.443888 0.346578 0.760188 O\n0.992883 0.264819 0.014193 O\n0.535276 0.813571 0.525547 O\n0.780401 0.047278 0.121179 O\n0.081110 0.658576 0.093658 O\n",
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{
"id": "mp-30092",
"created_at": "2022-09-04T14:41:10.011319Z",
"structure_string": "Ti4 Cl16\n1.0\n7.168448 0.000000 0.000000\n0.000000 10.740391 0.000000\n0.000000 2.245104 10.513565\nTi Cl\n4 16\ndirect\n0.576620 0.251125 0.366353 Ti\n0.076620 0.748875 0.133647 Ti\n0.423380 0.748875 0.633647 Ti\n0.923380 0.251125 0.866353 Ti\n0.575241 0.415048 0.207094 Cl\n0.075241 0.584952 0.292906 Cl\n0.424759 0.584952 0.792906 Cl\n0.924759 0.415048 0.707094 Cl\n0.636102 0.195206 0.918281 Cl\n0.136102 0.804794 0.581719 Cl\n0.363898 0.804794 0.081719 Cl\n0.863898 0.195206 0.418281 Cl\n0.069003 0.093045 0.809728 Cl\n0.569003 0.906955 0.690272 Cl\n0.930997 0.906955 0.190272 Cl\n0.430997 0.093045 0.309728 Cl\n0.065733 0.301844 0.028462 Cl\n0.565733 0.698156 0.471538 Cl\n0.934267 0.698156 0.971538 Cl\n0.434267 0.301844 0.528462 Cl\n",
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{
"id": "mp-556942",
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"structure_string": "Ca16 Si8 O32\n1.0\n9.850176 0.000000 0.000000\n0.000000 8.349728 0.000000\n0.000000 0.831494 9.842283\nCa Si O\n16 8 32\ndirect\n0.933476 0.096589 0.210654 Ca\n0.918049 0.340046 0.913531 Ca\n0.078826 0.822803 0.427501 Ca\n0.287459 0.379255 0.925030 Ca\n0.421174 0.822803 0.927501 Ca\n0.418049 0.659954 0.586469 Ca\n0.921174 0.177197 0.572499 Ca\n0.578826 0.177197 0.072499 Ca\n0.212541 0.379255 0.425030 Ca\n0.566524 0.096589 0.710654 Ca\n0.581951 0.340046 0.413531 Ca\n0.433476 0.903411 0.289346 Ca\n0.787459 0.620745 0.574970 Ca\n0.081951 0.659954 0.086469 Ca\n0.712541 0.620745 0.074970 Ca\n0.066524 0.903411 0.789346 Ca\n0.072939 0.541362 0.699191 Si\n0.572939 0.458638 0.800809 Si\n0.702860 0.976845 0.429802 Si\n0.797140 0.976845 0.929802 Si\n0.427061 0.541362 0.199191 Si\n0.202860 0.023155 0.070198 Si\n0.297140 0.023155 0.570198 Si\n0.927061 0.458638 0.300809 Si\n0.597036 0.461266 0.633917 O\n0.620059 0.821097 0.501747 O\n0.698690 0.130095 0.526639 O\n0.365530 0.061660 0.092174 O\n0.547433 0.408690 0.175377 O\n0.865530 0.938340 0.407826 O\n0.902964 0.461266 0.133917 O\n0.452567 0.591310 0.824623 O\n0.634470 0.938340 0.907826 O\n0.379941 0.178903 0.498253 O\n0.715088 0.494380 0.878449 O\n0.952567 0.408690 0.675377 O\n0.368998 0.952814 0.714232 O\n0.134470 0.061660 0.592174 O\n0.198690 0.869905 0.973361 O\n0.879941 0.821097 0.001747 O\n0.284912 0.505620 0.121551 O\n0.506908 0.283246 0.857691 O\n0.402964 0.538734 0.366083 O\n0.215088 0.505620 0.621551 O\n0.047433 0.591310 0.324623 O\n0.993092 0.283246 0.357691 O\n0.784912 0.494380 0.378449 O\n0.131002 0.952814 0.214232 O\n0.868998 0.047186 0.785768 O\n0.493092 0.716754 0.142309 O\n0.631002 0.047186 0.285768 O\n0.801310 0.130095 0.026639 O\n0.301310 0.869905 0.473361 O\n0.006908 0.716754 0.642309 O\n0.120059 0.178903 0.998253 O\n0.097036 0.538734 0.866083 O\n",
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"formula_full": "Ca16 Si8 O32",
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},
{
"id": "mp-1177896",
"created_at": "2022-09-04T14:45:30.017211Z",
"structure_string": "Li6 Mn3 V3 P12 O42\n1.0\n4.850039 0.000000 0.000000\n2.261971 6.679660 0.000000\n0.119121 0.215383 24.987721\nLi Mn V P O\n6 3 3 12 42\ndirect\n0.172536 0.325257 0.620278 Li\n0.173869 0.326797 0.953992 Li\n0.176906 0.325786 0.287173 Li\n0.823137 0.676174 0.120237 Li\n0.825393 0.673265 0.453635 Li\n0.823342 0.675579 0.786793 Li\n0.213070 0.268802 0.499589 Mn\n0.785204 0.728617 0.666498 Mn\n0.785071 0.731094 0.999871 Mn\n0.216071 0.273091 0.166477 V\n0.214740 0.272669 0.833110 V\n0.785709 0.729224 0.333069 V\n0.402255 0.477967 0.059139 P\n0.398726 0.481686 0.393371 P\n0.401072 0.478225 0.725677 P\n0.213523 0.914664 0.261193 P\n0.212923 0.909205 0.595799 P\n0.213395 0.911413 0.928433 P\n0.789935 0.086330 0.095502 P\n0.787287 0.088198 0.428656 P\n0.788791 0.086695 0.762012 P\n0.599993 0.523498 0.226902 P\n0.599103 0.516597 0.559318 P\n0.601491 0.518444 0.893616 P\n0.051361 0.153172 0.108366 O\n0.049790 0.153765 0.775022 O\n0.057825 0.146141 0.442365 O\n0.131218 0.111272 0.898658 O\n0.133002 0.115468 0.232067 O\n0.126232 0.111074 0.567471 O\n0.188881 0.517958 0.011973 O\n0.186899 0.518168 0.678518 O\n0.189667 0.517566 0.345559 O\n0.250133 0.495135 0.780243 O\n0.250721 0.494767 0.113672 O\n0.243493 0.503612 0.446996 O\n0.395728 0.396344 0.225960 O\n0.391638 0.389754 0.557137 O\n0.391729 0.394908 0.891796 O\n0.601709 0.085105 0.145175 O\n0.601240 0.084785 0.478421 O\n0.599913 0.086173 0.811719 O\n0.597918 0.247251 0.051345 O\n0.596215 0.250092 0.385636 O\n0.596903 0.247626 0.717809 O\n0.404698 0.754502 0.218030 O\n0.404552 0.750911 0.885676 O\n0.402364 0.749755 0.552145 O\n0.397949 0.916175 0.310956 O\n0.400835 0.909977 0.645157 O\n0.397405 0.914360 0.978118 O\n0.604590 0.608246 0.057951 O\n0.608438 0.605377 0.391697 O\n0.603968 0.607864 0.724359 O\n0.753091 0.506877 0.281068 O\n0.749920 0.493096 0.613209 O\n0.755458 0.495591 0.947190 O\n0.812533 0.485050 0.179483 O\n0.809685 0.482286 0.511404 O\n0.811059 0.484030 0.845595 O\n0.873487 0.885660 0.067599 O\n0.872474 0.885933 0.734348 O\n0.868327 0.889818 0.399038 O\n0.948597 0.851704 0.274581 O\n0.943072 0.849547 0.609456 O\n0.941741 0.853823 0.942272 O\n",
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"formula_full": "Li6 Mn3 V3 P12 O42",
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