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{
"id": "mp-12977",
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{
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"formula_full": "Ca1 V2 Bi2 Pb2 O10",
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},
{
"id": "mp-1016264",
"created_at": "2022-09-04T14:47:22.558514Z",
"structure_string": "Cs1 Mg7\n1.0\n3.507720 -6.075549 0.000000\n3.507720 6.075549 0.000000\n0.000000 0.000000 5.445853\nCs Mg\n1 7\ndirect\n0.000000 0.000000 0.000000 Cs\n0.007307 0.503653 0.000000 Mg\n0.496347 0.503653 0.000000 Mg\n0.496347 0.992693 0.000000 Mg\n0.183957 0.367914 0.500000 Mg\n0.183957 0.816043 0.500000 Mg\n0.632086 0.816043 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n",
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"formula_full": "Cs1 Mg7",
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},
{
"id": "mp-1195703",
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"structure_string": "Rb8 Ge2 P8 S24\n1.0\n4.130093 6.308082 0.000000\n-4.130093 6.308082 0.000000\n0.000000 4.504134 23.618010\nRb Ge P S\n8 2 8 24\ndirect\n0.831522 0.791901 0.548070 Rb\n0.208099 0.168478 0.951930 Rb\n0.168478 0.208099 0.451930 Rb\n0.791901 0.831522 0.048070 Rb\n0.666427 0.521378 0.814307 Rb\n0.478622 0.333573 0.685693 Rb\n0.333573 0.478622 0.185693 Rb\n0.521378 0.666427 0.314307 Rb\n0.025561 0.974439 0.750000 Ge\n0.974439 0.025561 0.250000 Ge\n0.109342 0.709287 0.871664 P\n0.290713 0.890658 0.628336 P\n0.890658 0.290713 0.128336 P\n0.709287 0.109342 0.371664 P\n0.082111 0.208947 0.616264 P\n0.791053 0.917889 0.883736 P\n0.917889 0.791053 0.383736 P\n0.208947 0.082111 0.116264 P\n0.214579 0.648761 0.945357 S\n0.351239 0.785421 0.554643 S\n0.785421 0.351239 0.054643 S\n0.648761 0.214579 0.445357 S\n0.143656 0.492630 0.827458 S\n0.507370 0.856344 0.672542 S\n0.856344 0.507370 0.172542 S\n0.492630 0.143656 0.327458 S\n0.091437 0.777978 0.681672 S\n0.222022 0.908563 0.818328 S\n0.908563 0.222022 0.318328 S\n0.777978 0.091437 0.181672 S\n0.234390 0.364753 0.579091 S\n0.635247 0.765610 0.920909 S\n0.765610 0.635247 0.420909 S\n0.364753 0.234390 0.079091 S\n0.849658 0.239223 0.581096 S\n0.760777 0.150342 0.918904 S\n0.150342 0.760777 0.418904 S\n0.239223 0.849658 0.081096 S\n0.008713 0.267940 0.705719 S\n0.732060 0.991287 0.794281 S\n0.991287 0.732060 0.294281 S\n0.267940 0.008713 0.205719 S\n",
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"density_atomic": 0.03412862813606681,
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"formula_full": "Rb8 Ge2 P8 S24",
"formula_reduced": "Rb4Ge(PS3)4",
"formula_anonymous": "AB4C4D12",
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"spacegroup": 15
},
{
"id": "mp-1201199",
"created_at": "2022-09-04T14:47:22.735587Z",
"structure_string": "Cs12 As4 P12 Se36\n1.0\n8.330119 0.000000 0.000000\n0.000000 13.695558 0.000000\n0.000000 4.079305 19.807942\nCs As P Se\n12 4 12 36\ndirect\n0.031999 0.301983 0.079530 Cs\n0.531999 0.198017 0.920470 Cs\n0.968001 0.698017 0.920470 Cs\n0.468001 0.801983 0.079530 Cs\n0.527204 0.082940 0.262608 Cs\n0.027204 0.417060 0.737392 Cs\n0.472796 0.917060 0.737392 Cs\n0.972796 0.582940 0.262608 Cs\n0.522148 0.311512 0.566706 Cs\n0.022148 0.188488 0.433294 Cs\n0.477852 0.688488 0.433294 Cs\n0.977852 0.811512 0.566706 Cs\n0.500208 0.439245 0.176680 As\n0.000208 0.060755 0.823320 As\n0.499792 0.560755 0.823320 As\n0.999792 0.939245 0.176680 As\n0.608799 0.346408 0.357962 P\n0.108799 0.153592 0.642038 P\n0.391201 0.653592 0.642038 P\n0.891201 0.846408 0.357962 P\n0.877545 0.068322 0.675729 P\n0.377545 0.431678 0.324271 P\n0.122455 0.931678 0.324271 P\n0.622455 0.568322 0.675729 P\n0.611733 0.455750 0.020137 P\n0.111733 0.044250 0.979863 P\n0.388267 0.544250 0.979863 P\n0.888267 0.955750 0.020137 P\n0.753998 0.436764 0.410404 Se\n0.253998 0.063236 0.589596 Se\n0.246002 0.563236 0.589596 Se\n0.746002 0.936764 0.410404 Se\n0.543117 0.199022 0.410780 Se\n0.043117 0.300978 0.589220 Se\n0.456883 0.800978 0.589220 Se\n0.956883 0.699022 0.410780 Se\n0.714951 0.344341 0.251756 Se\n0.214951 0.155659 0.748244 Se\n0.285049 0.655659 0.748244 Se\n0.785049 0.844341 0.251756 Se\n0.740901 0.045600 0.590684 Se\n0.240901 0.454400 0.409316 Se\n0.259099 0.954400 0.409316 Se\n0.759099 0.545600 0.590684 Se\n0.031859 0.070489 0.253661 Se\n0.531859 0.429511 0.746339 Se\n0.968141 0.929511 0.746339 Se\n0.468141 0.570489 0.253661 Se\n0.262594 0.342634 0.255627 Se\n0.762594 0.157366 0.744373 Se\n0.737406 0.657366 0.744373 Se\n0.237406 0.842634 0.255627 Se\n0.779195 0.044495 0.089934 Se\n0.279195 0.455505 0.910066 Se\n0.220805 0.955505 0.910066 Se\n0.720805 0.544495 0.089934 Se\n0.524643 0.312307 0.080145 Se\n0.024643 0.187693 0.919855 Se\n0.475357 0.687693 0.919855 Se\n0.975357 0.812307 0.080145 Se\n0.259495 0.055847 0.066309 Se\n0.759495 0.444153 0.933691 Se\n0.740505 0.944153 0.933691 Se\n0.240505 0.555847 0.066309 Se\n",
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{
"id": "mp-779464",
"created_at": "2022-09-04T14:47:22.597645Z",
"structure_string": "Ti34 N12 O48\n1.0\n10.393776 0.000000 0.000000\n1.410986 10.648816 0.000000\n4.219626 3.561611 10.055036\nTi N O\n34 12 48\ndirect\n0.860930 0.930051 0.570084 Ti\n0.359617 0.925165 0.572232 Ti\n0.636794 0.429130 0.645029 Ti\n0.697435 0.749971 0.517941 Ti\n0.144081 0.422245 0.649042 Ti\n0.855919 0.577755 0.350958 Ti\n0.859127 0.923852 0.234234 Ti\n0.801085 0.251474 0.482310 Ti\n0.198915 0.748526 0.517690 Ti\n0.637698 0.442453 0.306244 Ti\n0.363381 0.929326 0.235194 Ti\n0.640383 0.074835 0.427768 Ti\n0.363206 0.570870 0.354971 Ti\n0.302565 0.250029 0.482059 Ti\n0.858973 0.922749 0.910355 Ti\n0.804058 0.250053 0.148271 Ti\n0.135830 0.431399 0.311398 Ti\n0.859244 0.576641 0.026052 Ti\n0.139070 0.069949 0.429916 Ti\n0.196950 0.751913 0.183205 Ti\n0.640504 0.425349 0.978065 Ti\n0.359496 0.574651 0.021935 Ti\n0.637704 0.057579 0.101387 Ti\n0.362296 0.942421 0.898613 Ti\n0.302411 0.250317 0.148874 Ti\n0.697589 0.749683 0.851126 Ti\n0.864170 0.568601 0.688602 Ti\n0.803050 0.248087 0.816795 Ti\n0.195942 0.749947 0.851729 Ti\n0.141027 0.077251 0.089645 Ti\n0.140756 0.423359 0.973948 Ti\n0.636619 0.070674 0.764806 Ti\n0.362302 0.557547 0.693756 Ti\n0.140873 0.076148 0.765766 Ti\n0.772776 0.750308 0.659005 N\n0.269276 0.749413 0.661002 N\n0.778685 0.750158 0.335255 N\n0.267048 0.750093 0.327623 N\n0.730724 0.250587 0.338998 N\n0.227224 0.249692 0.340995 N\n0.778964 0.749766 0.978841 N\n0.268926 0.750732 0.992831 N\n0.731074 0.249268 0.007169 N\n0.221036 0.250234 0.021159 N\n0.732952 0.249907 0.672377 N\n0.221315 0.249842 0.664745 N\n0.810083 0.936788 0.419222 O\n0.547671 0.881855 0.523645 O\n0.812734 0.565812 0.542264 O\n0.549056 0.622653 0.609369 O\n0.689276 0.065606 0.581310 O\n0.310125 0.562535 0.542665 O\n0.951860 0.117813 0.476803 O\n0.689875 0.437465 0.457335 O\n0.048140 0.882187 0.523197 O\n0.952809 0.378388 0.391437 O\n0.310724 0.934394 0.418690 O\n0.047191 0.621612 0.608563 O\n0.189917 0.063212 0.580778 O\n0.823068 0.550846 0.208629 O\n0.452329 0.118145 0.476355 O\n0.450944 0.377347 0.390631 O\n0.823478 0.948791 0.076096 O\n0.543342 0.890932 0.188534 O\n0.543316 0.608985 0.282564 O\n0.187266 0.434188 0.457736 O\n0.688801 0.436999 0.124534 O\n0.952150 0.380338 0.052540 O\n0.688863 0.062921 0.249517 O\n0.310404 0.937395 0.083668 O\n0.048264 0.616927 0.277312 O\n0.952095 0.119225 0.144703 O\n0.311064 0.565876 0.207205 O\n0.047358 0.879195 0.192765 O\n0.450926 0.122542 0.141853 O\n0.547636 0.618088 0.944803 O\n0.549074 0.877458 0.858147 O\n0.452364 0.381912 0.055197 O\n0.187149 0.065840 0.250744 O\n0.189664 0.436481 0.126234 O\n0.810336 0.563519 0.873766 O\n0.812851 0.934160 0.749256 O\n0.951736 0.383073 0.722688 O\n0.688936 0.434124 0.792795 O\n0.689596 0.062605 0.916332 O\n0.311137 0.937079 0.750483 O\n0.047850 0.619662 0.947460 O\n0.952642 0.120805 0.807235 O\n0.047905 0.880775 0.855297 O\n0.311199 0.563001 0.875466 O\n0.456684 0.391015 0.717436 O\n0.456658 0.109068 0.811466 O\n0.176932 0.449154 0.791371 O\n0.176522 0.051209 0.923904 O\n",
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"formula_full": "Ti34 N12 O48",
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},
{
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{
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}