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{
"id": "mp-1174881",
"created_at": "2022-09-04T14:47:11.652708Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.916324 0.000000 0.000000\n0.000000 5.903329 0.000000\n0.000000 2.872050 12.466683\nLi Mn Co O\n7 2 3 12\ndirect\n0.000000 0.320166 0.347933 Li\n0.500000 0.166863 0.165840 Li\n0.000000 0.000000 0.000000 Li\n0.500000 0.833137 0.834160 Li\n0.000000 0.679834 0.652067 Li\n0.500000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.165457 0.659162 Mn\n0.000000 0.834543 0.340838 Mn\n0.500000 0.669067 0.165519 Co\n0.000000 0.500000 0.000000 Co\n0.500000 0.330933 0.834481 Co\n0.000000 0.893907 0.174784 O\n0.500000 0.738533 0.002536 O\n0.000000 0.563523 0.837944 O\n0.500000 0.389337 0.669479 O\n0.000000 0.243610 0.513754 O\n0.500000 0.056101 0.331762 O\n0.000000 0.756390 0.486246 O\n0.500000 0.610663 0.330521 O\n0.000000 0.436477 0.162056 O\n0.500000 0.261467 0.997464 O\n0.000000 0.106093 0.825216 O\n0.500000 0.943899 0.668238 O\n",
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{
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{
"id": "mp-758160",
"created_at": "2022-09-04T14:47:11.635069Z",
"structure_string": "Co4 I8 O24\n1.0\n5.546671 -9.607117 0.000000\n5.546671 9.607117 0.000000\n0.000000 0.000000 5.139108\nCo I O\n4 8 24\ndirect\n0.336530 0.175331 0.066421 Co\n0.333333 0.666667 0.573248 Co\n0.838801 0.663470 0.066421 Co\n0.824669 0.161199 0.066421 Co\n0.498624 0.514035 0.997088 I\n0.485965 0.984590 0.997088 I\n0.666667 0.333333 0.459250 I\n0.015410 0.501376 0.997088 I\n0.679135 0.833364 0.485842 I\n0.154229 0.320865 0.485842 I\n0.000000 0.000000 0.011258 I\n0.166636 0.845771 0.485842 I\n0.480499 0.638289 0.782735 O\n0.375136 0.348491 0.837424 O\n0.511913 0.319100 0.296646 O\n0.660924 0.536042 0.854170 O\n0.463958 0.124882 0.854170 O\n0.361711 0.842209 0.782735 O\n0.807187 0.488087 0.296646 O\n0.680900 0.192813 0.296646 O\n0.510447 0.796709 0.348027 O\n0.651509 0.026645 0.837424 O\n0.973355 0.624864 0.837424 O\n0.875118 0.339076 0.854170 O\n0.795271 0.987983 0.289292 O\n0.699835 0.703517 0.296831 O\n0.003682 0.300165 0.296831 O\n0.157791 0.519501 0.782735 O\n0.952321 0.115101 0.834049 O\n0.884899 0.837221 0.834049 O\n0.286263 0.489553 0.348027 O\n0.192712 0.204729 0.289292 O\n0.012017 0.807288 0.289292 O\n0.162779 0.047679 0.834049 O\n0.296483 0.996318 0.296831 O\n0.203291 0.713737 0.348027 O\n",
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{
"id": "mp-1201955",
"created_at": "2022-09-04T14:47:11.638165Z",
"structure_string": "Cu28 P4 Se24\n1.0\n10.072808 0.000000 0.000000\n0.000000 10.072808 0.000000\n0.000000 0.000000 10.072808\nCu P Se\n28 4 24\ndirect\n0.224880 0.927135 0.896942 Cu\n0.103058 0.724880 0.572865 Cu\n0.427135 0.603058 0.775120 Cu\n0.724880 0.572865 0.103058 Cu\n0.603058 0.775120 0.427135 Cu\n0.927135 0.896942 0.224880 Cu\n0.775120 0.427135 0.603058 Cu\n0.896942 0.224880 0.927135 Cu\n0.572865 0.103058 0.724880 Cu\n0.275120 0.072865 0.396942 Cu\n0.396942 0.275120 0.072865 Cu\n0.072865 0.396942 0.275120 Cu\n0.012275 0.778915 0.985615 Cu\n0.014385 0.512275 0.721085 Cu\n0.278915 0.514385 0.987725 Cu\n0.512275 0.721085 0.014385 Cu\n0.514385 0.987725 0.278915 Cu\n0.778915 0.985615 0.012275 Cu\n0.987725 0.278915 0.514385 Cu\n0.985615 0.012275 0.778915 Cu\n0.721085 0.014385 0.512275 Cu\n0.487725 0.221085 0.485615 Cu\n0.485615 0.487725 0.221085 Cu\n0.221085 0.485615 0.487725 Cu\n0.349402 0.849402 0.650598 Cu\n0.849402 0.650598 0.349402 Cu\n0.650598 0.349402 0.849402 Cu\n0.150598 0.150598 0.150598 Cu\n0.750053 0.250053 0.249947 P\n0.250053 0.249947 0.750053 P\n0.249947 0.750053 0.250053 P\n0.749947 0.749947 0.749947 P\n0.878419 0.378419 0.121581 Se\n0.378419 0.121581 0.878419 Se\n0.121581 0.878419 0.378419 Se\n0.621581 0.621581 0.621581 Se\n0.368304 0.879553 0.115884 Se\n0.884116 0.868304 0.620447 Se\n0.379553 0.384116 0.631696 Se\n0.868304 0.620447 0.884116 Se\n0.384116 0.631696 0.379553 Se\n0.879553 0.115884 0.368304 Se\n0.631696 0.379553 0.384116 Se\n0.115884 0.368304 0.879553 Se\n0.620447 0.884116 0.868304 Se\n0.131696 0.120447 0.615884 Se\n0.615884 0.131696 0.120447 Se\n0.120447 0.615884 0.131696 Se\n0.218577 0.718577 0.781423 Se\n0.718577 0.781423 0.218577 Se\n0.781423 0.218577 0.718577 Se\n0.281423 0.281423 0.281423 Se\n0.483241 0.983241 0.516759 Se\n0.983241 0.516759 0.483241 Se\n0.516759 0.483241 0.983241 Se\n0.016759 0.016759 0.016759 Se\n",
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"formula_full": "Cu28 P4 Se24",
"formula_reduced": "Cu7PSe6",
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"spacegroup": 198
},
{
"id": "mp-1213141",
"created_at": "2022-09-04T14:47:11.650976Z",
"structure_string": "Cu4 Cl12\n1.0\n0.000000 0.000000 -3.599194\n-6.801851 -10.096836 0.000000\n-6.801851 10.096836 0.000000\nCu Cl\n4 12\ndirect\n0.000000 0.813773 0.186227 Cu\n0.000000 0.186227 0.813773 Cu\n0.000000 0.715272 0.715272 Cu\n0.000000 0.284728 0.284728 Cu\n0.500000 0.881054 0.118946 Cl\n0.500000 0.118946 0.881054 Cl\n0.000000 0.536792 0.712865 Cl\n0.000000 0.463208 0.287135 Cl\n0.000000 0.287135 0.463208 Cl\n0.000000 0.712865 0.536792 Cl\n0.500000 0.818324 0.818324 Cl\n0.500000 0.181676 0.181676 Cl\n0.000000 0.621574 0.117090 Cl\n0.000000 0.378426 0.882910 Cl\n0.000000 0.882910 0.378426 Cl\n0.000000 0.117090 0.621574 Cl\n",
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{
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"structure_string": "Y2 Cu2 Pb2 S6\n1.0\n1.964882 -6.526589 0.000000\n1.964882 6.526589 0.000000\n0.000000 0.000000 10.277789\nY Cu Pb S\n2 2 2 6\ndirect\n0.500000 0.500000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.965812 0.034188 0.250000 Cu\n0.034188 0.965812 0.750000 Cu\n0.251493 0.748507 0.250000 Pb\n0.748507 0.251493 0.750000 Pb\n0.426049 0.573951 0.750000 S\n0.573951 0.426049 0.250000 S\n0.138382 0.861618 0.931785 S\n0.138382 0.861618 0.568215 S\n0.861618 0.138382 0.068215 S\n0.861618 0.138382 0.431785 S\n",
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{
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{
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{
"id": "mp-762032",
"created_at": "2022-09-04T14:47:12.029992Z",
"structure_string": "Ba4 Li4 Ti19 O44\n1.0\n5.882363 0.000000 0.000000\n0.037650 10.069023 0.000000\n0.083018 0.071143 14.178305\nBa Li Ti O\n4 4 19 44\ndirect\n0.243440 0.606034 0.094336 Ba\n0.248193 0.911324 0.589188 Ba\n0.744750 0.093043 0.408607 Ba\n0.752836 0.395158 0.898660 Ba\n0.025336 0.500312 0.521010 Li\n0.257286 0.604287 0.652766 Li\n0.706125 0.414947 0.443984 Li\n0.750557 0.073656 0.962413 Li\n0.240215 0.387493 0.332604 Ti\n0.234349 0.243395 0.511672 Ti\n0.237225 0.574743 0.844030 Ti\n0.244034 0.937480 0.330796 Ti\n0.250583 0.259237 0.997146 Ti\n0.253499 0.114720 0.823946 Ti\n0.494214 0.342882 0.668251 Ti\n0.491833 0.163651 0.171037 Ti\n0.494289 0.664634 0.335444 Ti\n0.504134 0.845515 0.823292 Ti\n0.735339 0.766661 0.514791 Ti\n0.738111 0.731728 0.000754 Ti\n0.745986 0.433669 0.169785 Ti\n0.747850 0.886189 0.165241 Ti\n0.762326 0.591370 0.675807 Ti\n0.770561 0.096382 0.664486 Ti\n0.994109 0.671896 0.332883 Ti\n0.994507 0.163803 0.168544 Ti\n0.002370 0.844636 0.828618 Ti\n0.998273 0.007033 0.748917 O\n0.999429 0.151026 0.576101 O\n0.005964 0.529548 0.758120 O\n0.012605 0.678316 0.916081 O\n0.017994 0.330346 0.421039 O\n0.033620 0.179704 0.917280 O\n0.237909 0.240250 0.246847 O\n0.248945 0.748928 0.263678 O\n0.239649 0.568662 0.395376 O\n0.246129 0.108748 0.090360 O\n0.245252 0.435575 0.932100 O\n0.249949 0.061367 0.422602 O\n0.253868 0.750022 0.761342 O\n0.250925 0.927237 0.890780 O\n0.258163 0.396623 0.582390 O\n0.277153 0.255630 0.749939 O\n0.452864 0.312384 0.409467 O\n0.468970 0.178683 0.919889 O\n0.491364 0.507409 0.748512 O\n0.491573 0.998546 0.251222 O\n0.492512 0.819900 0.412826 O\n0.498645 0.496253 0.250288 O\n0.498866 0.322967 0.090702 O\n0.499394 0.672320 0.912993 O\n0.503076 0.003387 0.748753 O\n0.502452 0.176278 0.582891 O\n0.528974 0.689184 0.593582 O\n0.533660 0.813856 0.085802 O\n0.732367 0.442189 0.599315 O\n0.735231 0.244839 0.732239 O\n0.748700 0.601637 0.414558 O\n0.740605 0.931502 0.568000 O\n0.744285 0.070238 0.104468 O\n0.743206 0.250791 0.237945 O\n0.743328 0.739574 0.256156 O\n0.746957 0.561195 0.070306 O\n0.749890 0.893409 0.912815 O\n0.755207 0.763785 0.755413 O\n0.956363 0.814797 0.086296 O\n0.971574 0.674795 0.585482 O\n0.985967 0.496420 0.247485 O\n0.986381 0.321915 0.089347 O\n0.997595 0.997619 0.251324 O\n0.002440 0.823575 0.409968 O\n",
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"formula_full": "Ba4 Li4 Ti19 O44",
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