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{
"id": "mp-771890",
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"structure_string": "Li2 Sn2 As2 C2 O14\n1.0\n6.745297 0.000000 0.000000\n0.000000 5.255799 0.000000\n0.000000 0.595826 9.187255\nLi Sn As C O\n2 2 2 2 14\ndirect\n0.496686 0.767580 0.819539 Li\n0.996686 0.232420 0.180461 Li\n0.246079 0.211189 0.666831 Sn\n0.746079 0.788811 0.333169 Sn\n0.750385 0.274428 0.574081 As\n0.250385 0.725572 0.425919 As\n0.256293 0.277423 0.937650 C\n0.756293 0.722577 0.062350 C\n0.725989 0.684440 0.932873 O\n0.258309 0.047303 0.882900 O\n0.282627 0.467760 0.833104 O\n0.943798 0.198304 0.687467 O\n0.553224 0.160821 0.674788 O\n0.258884 0.844511 0.595486 O\n0.729878 0.601817 0.537059 O\n0.229878 0.398183 0.462941 O\n0.758884 0.155489 0.404514 O\n0.053224 0.839179 0.325212 O\n0.443798 0.801696 0.312533 O\n0.782627 0.532240 0.166896 O\n0.758309 0.952697 0.117100 O\n0.225989 0.315560 0.067127 O\n",
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{
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"structure_string": "Na2 Sn2 P2 C2 O14\n1.0\n6.614185 0.000000 0.000000\n0.000000 5.320214 0.000000\n0.000000 0.390542 9.328917\nNa Sn P C O\n2 2 2 2 14\ndirect\n0.520185 0.760927 0.784178 Na\n0.020185 0.239073 0.215822 Na\n0.235589 0.217907 0.657539 Sn\n0.735589 0.782093 0.342461 Sn\n0.743083 0.274526 0.567676 P\n0.243083 0.725474 0.432324 P\n0.258845 0.275529 0.924476 C\n0.758845 0.724471 0.075524 C\n0.754328 0.692253 0.945803 O\n0.256463 0.050793 0.864044 O\n0.263575 0.466948 0.823248 O\n0.926086 0.212186 0.664276 O\n0.556131 0.193581 0.656614 O\n0.255565 0.861793 0.576096 O\n0.732300 0.564737 0.531220 O\n0.232300 0.435263 0.468780 O\n0.755565 0.138207 0.423904 O\n0.056131 0.806419 0.343386 O\n0.426086 0.787814 0.335724 O\n0.763575 0.533052 0.176752 O\n0.756463 0.949207 0.135956 O\n0.254328 0.307747 0.054197 O\n",
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"formula_full": "Na2 Sn2 P2 C2 O14",
"formula_reduced": "NaSnPCO7",
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{
"id": "mp-677151",
"created_at": "2022-09-04T14:42:45.980588Z",
"structure_string": "Yb4 Ti4 Cd4 Sb4 O28\n1.0\n7.301351 0.000000 0.000000\n0.000000 7.301351 0.000000\n0.000000 0.000000 10.336406\nYb Ti Cd Sb O\n4 4 4 4 28\ndirect\n0.000000 0.745486 0.000000 Yb\n0.745486 0.000000 0.750000 Yb\n0.000000 0.254514 0.500000 Yb\n0.254514 0.000000 0.250000 Yb\n0.765475 0.000000 0.250000 Ti\n0.000000 0.765475 0.500000 Ti\n0.000000 0.234525 0.000000 Ti\n0.234525 0.000000 0.750000 Ti\n0.500000 0.249510 0.500000 Cd\n0.500000 0.750490 0.000000 Cd\n0.750490 0.500000 0.750000 Cd\n0.249510 0.500000 0.250000 Cd\n0.246486 0.500000 0.750000 Sb\n0.500000 0.753514 0.500000 Sb\n0.500000 0.246486 0.000000 Sb\n0.753514 0.500000 0.250000 Sb\n0.255872 0.744128 0.125000 O\n0.551328 0.954240 0.371450 O\n0.754957 0.755445 0.571577 O\n0.744128 0.255872 0.625000 O\n0.755445 0.754957 0.178423 O\n0.949581 0.949581 0.375000 O\n0.050419 0.050419 0.875000 O\n0.050419 0.949581 0.625000 O\n0.045760 0.448672 0.878550 O\n0.245043 0.244555 0.071577 O\n0.245043 0.755445 0.428423 O\n0.244555 0.754957 0.821577 O\n0.244555 0.245043 0.678423 O\n0.448672 0.045760 0.871450 O\n0.448672 0.954240 0.628550 O\n0.452129 0.452129 0.875000 O\n0.547871 0.547871 0.375000 O\n0.551328 0.045760 0.128550 O\n0.547871 0.452129 0.125000 O\n0.755445 0.245043 0.321577 O\n0.754957 0.244555 0.928423 O\n0.949581 0.050419 0.125000 O\n0.954240 0.551328 0.378550 O\n0.954240 0.448672 0.121450 O\n0.045760 0.551328 0.621450 O\n0.255872 0.255872 0.375000 O\n0.452129 0.547871 0.625000 O\n0.744128 0.744128 0.875000 O\n",
"nsites": 44,
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"elements": [
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"formula_full": "Yb4 Ti4 Cd4 Sb4 O28",
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},
{
"id": "mp-769633",
"created_at": "2022-09-04T14:42:13.381568Z",
"structure_string": "Na2 Fe2 P2 C2 O14\n1.0\n9.212029 0.000000 -0.024986\n0.000000 6.448095 0.000000\n0.213354 0.000000 5.277533\nNa Fe P C O\n2 2 2 2 14\ndirect\n0.240377 0.473238 0.236328 Na\n0.759623 0.973238 0.763672 Na\n0.355884 0.765578 0.789152 Fe\n0.644116 0.265578 0.210848 Fe\n0.429576 0.256623 0.723196 P\n0.570424 0.756623 0.276804 P\n0.082177 0.744032 0.725510 C\n0.917823 0.244032 0.274490 C\n0.051793 0.244278 0.309139 O\n0.136550 0.747987 0.948246 O\n0.179055 0.741597 0.539600 O\n0.335013 0.064865 0.783051 O\n0.338196 0.449577 0.797470 O\n0.427168 0.745595 0.131376 O\n0.470106 0.264482 0.432869 O\n0.529894 0.764482 0.567131 O\n0.572832 0.245595 0.868624 O\n0.661804 0.949577 0.202530 O\n0.664987 0.564865 0.216949 O\n0.820945 0.241597 0.460400 O\n0.863450 0.247987 0.051754 O\n0.948207 0.744278 0.690861 O\n",
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"elements": [
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},
{
"id": "mp-769599",
"created_at": "2022-09-04T14:42:10.658504Z",
"structure_string": "Na2 Cr2 P2 C2 O14\n1.0\n6.298476 0.000000 0.000000\n0.000000 5.282538 0.000000\n0.000000 0.342902 9.060022\nNa Cr P C O\n2 2 2 2 14\ndirect\n0.522719 0.762445 0.767876 Na\n0.022719 0.237555 0.232124 Na\n0.235772 0.213733 0.659880 Cr\n0.735772 0.786267 0.340120 Cr\n0.742965 0.279838 0.566384 P\n0.242965 0.720162 0.433616 P\n0.256102 0.271586 0.920826 C\n0.756102 0.728414 0.079174 C\n0.757055 0.688195 0.946811 O\n0.250219 0.049204 0.859322 O\n0.258802 0.455824 0.812334 O\n0.938862 0.219042 0.667008 O\n0.550143 0.204537 0.663675 O\n0.254396 0.879929 0.572589 O\n0.735114 0.565211 0.524518 O\n0.235114 0.434789 0.475482 O\n0.754396 0.120071 0.427411 O\n0.050143 0.795463 0.336325 O\n0.438862 0.780958 0.332992 O\n0.758802 0.544176 0.187666 O\n0.750219 0.950796 0.140678 O\n0.257055 0.311805 0.053189 O\n",
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{
"id": "mp-754499",
"created_at": "2022-09-04T14:42:14.357600Z",
"structure_string": "Li2 Mn2 C2 S2 O14\n1.0\n6.804861 0.000000 0.000000\n0.000000 5.089238 0.000000\n0.000000 0.719214 8.677696\nLi Mn C S O\n2 2 2 2 14\ndirect\n0.477004 0.788841 0.816206 Li\n0.977004 0.211159 0.183794 Li\n0.253127 0.226822 0.654003 Mn\n0.753127 0.773178 0.345997 Mn\n0.249003 0.280641 0.927225 C\n0.749003 0.719359 0.072775 C\n0.756963 0.252460 0.582958 S\n0.256963 0.747540 0.417042 S\n0.708589 0.690707 0.937261 O\n0.259492 0.049599 0.866644 O\n0.278184 0.476208 0.818608 O\n0.934394 0.200942 0.675034 O\n0.581948 0.158896 0.671647 O\n0.267684 0.872100 0.567157 O\n0.735765 0.545371 0.541130 O\n0.235765 0.454629 0.458870 O\n0.767684 0.127900 0.432843 O\n0.081948 0.841104 0.328353 O\n0.434394 0.799058 0.324966 O\n0.778184 0.523792 0.181392 O\n0.759492 0.950401 0.133356 O\n0.208589 0.309293 0.062739 O\n",
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{
"id": "mp-779262",
"created_at": "2022-09-04T14:43:01.771408Z",
"structure_string": "Li4 Fe4 P4 C4 O28\n1.0\n8.411918 0.021223 0.024901\n0.425758 5.125246 -0.002821\n0.038603 -0.010969 12.884041\nLi Fe P C O\n4 4 4 4 28\ndirect\n0.108451 0.770089 0.126282 Li\n0.281921 0.244656 0.727062 Li\n0.890219 0.230449 0.378066 Li\n0.890611 0.224920 0.876153 Li\n0.331721 0.805112 0.376299 Fe\n0.336796 0.801837 0.878864 Fe\n0.665757 0.196168 0.125686 Fe\n0.665539 0.200316 0.624663 Fe\n0.422255 0.726276 0.126316 P\n0.423426 0.732673 0.626226 P\n0.575129 0.276935 0.373371 P\n0.579313 0.276126 0.875022 P\n0.045684 0.703681 0.869370 C\n0.042787 0.707015 0.377224 C\n0.957471 0.292863 0.123988 C\n0.957020 0.286226 0.628623 C\n0.073706 0.949401 0.375722 O\n0.074592 0.947869 0.875046 O\n0.093048 0.378513 0.123842 O\n0.099753 0.334019 0.638207 O\n0.174363 0.537989 0.863965 O\n0.167836 0.538490 0.377646 O\n0.321438 0.793200 0.529773 O\n0.311958 0.795580 0.031680 O\n0.307459 0.795223 0.218679 O\n0.318781 0.833807 0.720044 O\n0.423410 0.130259 0.372521 O\n0.421698 0.140007 0.868375 O\n0.477095 0.431477 0.125557 O\n0.465865 0.431133 0.638967 O\n0.520479 0.571534 0.369543 O\n0.526745 0.572242 0.876730 O\n0.574485 0.871906 0.126653 O\n0.580833 0.867002 0.623086 O\n0.691122 0.204514 0.281512 O\n0.682411 0.218664 0.469322 O\n0.691784 0.208602 0.781693 O\n0.685438 0.196101 0.969168 O\n0.831088 0.459483 0.123503 O\n0.839856 0.467175 0.623835 O\n0.906611 0.624079 0.375948 O\n0.910863 0.617944 0.872097 O\n0.928158 0.049695 0.124428 O\n0.909211 0.053232 0.623250 O\n",
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{
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"structure_string": "Na2 Bi2 P2 C2 O14\n1.0\n6.975319 0.000000 0.000000\n0.000000 5.452062 0.000000\n0.000000 0.164855 9.492804\nNa Bi P C O\n2 2 2 2 14\ndirect\n0.482691 0.230899 0.781881 Na\n0.982691 0.769101 0.218119 Na\n0.767602 0.783779 0.634347 Bi\n0.267602 0.216221 0.365653 Bi\n0.261970 0.722939 0.582616 P\n0.761970 0.277061 0.417384 P\n0.732837 0.726278 0.926095 C\n0.232837 0.273722 0.073905 C\n0.249996 0.310717 0.943387 O\n0.733641 0.942176 0.866041 O\n0.717344 0.535820 0.843646 O\n0.086816 0.806651 0.670697 O\n0.435930 0.851375 0.651634 O\n0.740760 0.189626 0.575862 O\n0.288263 0.441472 0.582077 O\n0.788263 0.558528 0.417923 O\n0.240760 0.810374 0.424138 O\n0.935930 0.148625 0.348366 O\n0.586816 0.193349 0.329303 O\n0.217344 0.464180 0.156354 O\n0.233641 0.057824 0.133959 O\n0.749996 0.689283 0.056613 O\n",
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{
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"structure_string": "Li4 Mn4 P4 C4 O28\n1.0\n6.240427 0.000000 0.000000\n0.000000 5.115696 0.000000\n0.000000 1.211182 16.665236\nLi Mn P C O\n4 4 4 4 28\ndirect\n0.471219 0.241815 0.131802 Li\n0.971219 0.758185 0.368198 Li\n0.028781 0.241815 0.631802 Li\n0.528781 0.758185 0.868198 Li\n0.760427 0.794563 0.164874 Mn\n0.260427 0.205437 0.335126 Mn\n0.739573 0.794563 0.664874 Mn\n0.239573 0.205437 0.835126 Mn\n0.254260 0.723041 0.212870 P\n0.754260 0.276959 0.287130 P\n0.245740 0.723041 0.712870 P\n0.745740 0.276959 0.787130 P\n0.734034 0.710390 0.025743 C\n0.234034 0.289610 0.474257 C\n0.765966 0.710390 0.525743 C\n0.265966 0.289610 0.974257 C\n0.749722 0.945470 0.052966 O\n0.279519 0.337204 0.045181 O\n0.735231 0.528325 0.087074 O\n0.062896 0.792286 0.157003 O\n0.448037 0.825271 0.161874 O\n0.738723 0.142846 0.207594 O\n0.274652 0.421461 0.232617 O\n0.774652 0.578539 0.267383 O\n0.238723 0.857154 0.292406 O\n0.948037 0.174729 0.338126 O\n0.562896 0.207714 0.342997 O\n0.235231 0.471675 0.412926 O\n0.779519 0.662796 0.454819 O\n0.249722 0.054530 0.447034 O\n0.750278 0.945470 0.552966 O\n0.220481 0.337204 0.545181 O\n0.764769 0.528325 0.587074 O\n0.051963 0.825271 0.661874 O\n0.437104 0.792286 0.657003 O\n0.761277 0.142846 0.707594 O\n0.225348 0.421461 0.732617 O\n0.725348 0.578539 0.767383 O\n0.261277 0.857154 0.792406 O\n0.937104 0.207714 0.842997 O\n0.551963 0.174729 0.838126 O\n0.264769 0.471675 0.912926 O\n0.720481 0.662796 0.954819 O\n0.250278 0.054530 0.947034 O\n",
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},
{
"id": "mp-1227538",
"created_at": "2022-09-04T14:43:20.810657Z",
"structure_string": "Ca4 Zr4 Nb4 Fe4 O28\n1.0\n7.387839 0.000000 0.000000\n3.585193 6.489485 0.000000\n1.809019 0.997854 11.411171\nCa Zr Nb Fe O\n4 4 4 4 28\ndirect\n0.252515 0.502708 0.997955 Ca\n0.497732 0.746589 0.497349 Ca\n0.747485 0.497292 0.002045 Ca\n0.502268 0.253411 0.502651 Ca\n0.989810 0.236122 0.528725 Zr\n0.762925 0.008922 0.973325 Zr\n0.010190 0.763878 0.471275 Zr\n0.237075 0.991078 0.026675 Zr\n0.111824 0.385077 0.754588 Nb\n0.619701 0.891692 0.743779 Nb\n0.888176 0.614923 0.245412 Nb\n0.380299 0.108308 0.256221 Nb\n0.864256 0.134017 0.251107 Fe\n0.135744 0.865983 0.748893 Fe\n0.430237 0.532628 0.246356 Fe\n0.569763 0.467372 0.753644 Fe\n0.528509 0.891202 0.914707 O\n0.108031 0.476549 0.585267 O\n0.471491 0.108798 0.085293 O\n0.891969 0.523451 0.414733 O\n0.249300 0.549638 0.781140 O\n0.441549 0.768973 0.714467 O\n0.750700 0.450362 0.218860 O\n0.558451 0.231027 0.285533 O\n0.061206 0.165891 0.707591 O\n0.839775 0.931705 0.792793 O\n0.938794 0.834109 0.292409 O\n0.160225 0.068295 0.207207 O\n0.331888 0.605545 0.401081 O\n0.391106 0.672055 0.094959 O\n0.668112 0.394455 0.598919 O\n0.608894 0.327945 0.905041 O\n0.881351 0.122196 0.078466 O\n0.875983 0.118639 0.423488 O\n0.118649 0.877804 0.921534 O\n0.124017 0.881361 0.576512 O\n0.124814 0.289401 0.929250 O\n0.715548 0.872102 0.569842 O\n0.875186 0.710599 0.070750 O\n0.284452 0.127898 0.430158 O\n0.187745 0.440586 0.214262 O\n0.576024 0.829792 0.289721 O\n0.812255 0.559414 0.785738 O\n0.423976 0.170208 0.710279 O\n",
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"formula_full": "Ca4 Zr4 Nb4 Fe4 O28",
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},
{
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"created_at": "2022-09-04T14:41:04.720776Z",
"structure_string": "Li2 Cr2 C2 S2 O14\n1.0\n9.267174 -0.000290 0.035414\n-0.000209 6.381948 0.000079\n0.253884 0.000056 5.224709\nLi Cr C S O\n2 2 2 2 14\ndirect\n0.135744 0.561495 0.247452 Li\n0.864286 0.061502 0.752549 Li\n0.345460 0.733612 0.779936 Cr\n0.654429 0.233464 0.220037 Cr\n0.087408 0.759059 0.727304 C\n0.912564 0.259012 0.272663 C\n0.428405 0.233330 0.727753 S\n0.571620 0.733331 0.272249 S\n0.041025 0.301380 0.302582 O\n0.147030 0.739816 0.951552 O\n0.186929 0.732662 0.536218 O\n0.335577 0.050064 0.789111 O\n0.337300 0.417816 0.799394 O\n0.437468 0.729439 0.129226 O\n0.469354 0.239253 0.447755 O\n0.530655 0.739216 0.552288 O\n0.562552 0.229445 0.870742 O\n0.662704 0.917853 0.200650 O\n0.664495 0.550111 0.210891 O\n0.813075 0.232650 0.463789 O\n0.852941 0.239779 0.048490 O\n0.958981 0.801408 0.697368 O\n",
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"formula_full": "Li2 Cr2 C2 S2 O14",
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{
"id": "mp-773502",
"created_at": "2022-09-04T14:40:39.427541Z",
"structure_string": "K2 Co2 P2 C2 O14\n1.0\n6.083593 0.000000 0.000000\n0.000000 5.281263 0.000000\n0.000000 0.298628 9.920724\nK Co P C O\n2 2 2 2 14\ndirect\n0.597420 0.755414 0.762277 K\n0.097420 0.244586 0.237723 K\n0.229422 0.225709 0.650357 Co\n0.729422 0.774291 0.349643 Co\n0.734568 0.278908 0.556459 P\n0.234568 0.721092 0.443541 P\n0.251075 0.280240 0.885964 C\n0.751075 0.719760 0.114036 C\n0.778457 0.687788 0.993306 O\n0.241387 0.060811 0.826186 O\n0.231976 0.463608 0.792040 O\n0.925025 0.223964 0.660184 O\n0.539561 0.230771 0.657481 O\n0.238159 0.892296 0.564300 O\n0.735100 0.562988 0.513499 O\n0.235100 0.437012 0.486501 O\n0.738159 0.107704 0.435700 O\n0.039561 0.769229 0.342519 O\n0.425025 0.776036 0.339816 O\n0.731976 0.536392 0.207960 O\n0.741387 0.939189 0.173814 O\n0.278457 0.312212 0.006694 O\n",
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],
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}
]
}