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{
"id": "mp-772328",
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"structure_string": "Mn2 Fe3 Co3 O16\n1.0\n2.876499 5.002808 0.000000\n-2.876499 5.002808 0.000000\n0.000000 0.313538 8.848572\nMn Fe Co O\n2 3 3 16\ndirect\n0.666997 0.666997 0.516649 Mn\n0.331017 0.331017 0.014993 Mn\n0.834687 0.834687 0.789584 Fe\n0.169381 0.668630 0.290345 Fe\n0.668630 0.169381 0.290345 Fe\n0.334385 0.833716 0.791462 Co\n0.833716 0.334385 0.791462 Co\n0.168910 0.168910 0.292783 Co\n0.337306 0.839130 0.399847 O\n0.521463 0.521463 0.670342 O\n0.663669 0.663669 0.898475 O\n0.005461 0.005461 0.683514 O\n0.008924 0.008924 0.184502 O\n0.839130 0.337306 0.399847 O\n0.513075 0.958676 0.659658 O\n0.958676 0.513075 0.659658 O\n0.163148 0.163148 0.890041 O\n0.830343 0.830343 0.400391 O\n0.039815 0.467327 0.157292 O\n0.467327 0.039815 0.157292 O\n0.328699 0.328699 0.401290 O\n0.169118 0.670003 0.898188 O\n0.477916 0.477916 0.148195 O\n0.670003 0.169118 0.898188 O\n",
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{
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"structure_string": "Cs20 Mo12 N30\n1.0\n10.350831 -6.661547 0.000000\n10.350831 6.661547 0.000000\n6.063619 0.000000 10.712069\nCs Mo N\n20 12 30\ndirect\n0.443508 0.556856 0.174505 Cs\n0.174505 0.443508 0.556856 Cs\n0.556856 0.174505 0.443508 Cs\n0.250000 0.422828 0.077172 Cs\n0.077172 0.250000 0.422828 Cs\n0.422828 0.077172 0.250000 Cs\n0.056492 0.325495 0.943144 Cs\n0.943144 0.056492 0.325495 Cs\n0.325495 0.943144 0.056492 Cs\n0.000000 0.000000 0.000000 Cs\n0.674505 0.056856 0.943508 Cs\n0.056856 0.943508 0.674505 Cs\n0.943508 0.674505 0.056856 Cs\n0.577172 0.922828 0.750000 Cs\n0.922828 0.750000 0.577172 Cs\n0.750000 0.577172 0.922828 Cs\n0.443144 0.825495 0.556492 Cs\n0.825495 0.556492 0.443144 Cs\n0.556492 0.443144 0.825495 Cs\n0.500000 0.500000 0.500000 Cs\n0.253365 0.793587 0.400946 Mo\n0.793587 0.400946 0.253365 Mo\n0.400946 0.253365 0.793587 Mo\n0.706413 0.246635 0.099054 Mo\n0.900946 0.293587 0.753365 Mo\n0.246635 0.099054 0.706413 Mo\n0.753365 0.900946 0.293587 Mo\n0.099054 0.706413 0.246635 Mo\n0.293587 0.753365 0.900946 Mo\n0.599054 0.746635 0.206413 Mo\n0.206413 0.599054 0.746635 Mo\n0.746635 0.206413 0.599054 Mo\n0.427403 0.764194 0.305754 N\n0.305754 0.427403 0.764194 N\n0.764194 0.305754 0.427403 N\n0.106878 0.545599 0.312067 N\n0.250000 0.668009 0.831991 N\n0.545599 0.312067 0.106878 N\n0.954401 0.393122 0.187933 N\n0.831991 0.250000 0.668009 N\n0.312067 0.106878 0.545599 N\n0.393122 0.187933 0.954401 N\n0.668009 0.831991 0.250000 N\n0.187933 0.954401 0.393122 N\n0.805754 0.264194 0.927403 N\n0.072597 0.194246 0.735806 N\n0.735806 0.072597 0.194246 N\n0.264194 0.927403 0.805754 N\n0.927403 0.805754 0.264194 N\n0.194246 0.735806 0.072597 N\n0.812067 0.045599 0.606878 N\n0.331991 0.168009 0.750000 N\n0.606878 0.812067 0.045599 N\n0.687933 0.893122 0.454401 N\n0.168009 0.750000 0.331991 N\n0.045599 0.606878 0.812067 N\n0.454401 0.687933 0.893122 N\n0.750000 0.331991 0.168009 N\n0.893122 0.454401 0.687933 N\n0.235806 0.694246 0.572597 N\n0.694246 0.572597 0.235806 N\n0.572597 0.235806 0.694246 N\n",
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"formula_full": "Cs20 Mo12 N30",
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},
{
"id": "mp-1210985",
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"structure_string": "Na24 La8 P16 O64\n1.0\n5.430442 0.000000 0.000000\n0.000000 14.171534 0.000000\n0.000000 0.000000 19.008873\nNa La P O\n24 8 16 64\ndirect\n0.017650 0.783295 0.506389 Na\n0.982350 0.216705 0.006389 Na\n0.982350 0.283295 0.506389 Na\n0.017650 0.716705 0.006389 Na\n0.012205 0.047665 0.852147 Na\n0.987795 0.952335 0.352147 Na\n0.987795 0.547665 0.852147 Na\n0.012205 0.452335 0.352147 Na\n0.010390 0.138194 0.671586 Na\n0.989610 0.861806 0.171586 Na\n0.989610 0.638194 0.671586 Na\n0.010390 0.361806 0.171586 Na\n0.525366 0.202694 0.768065 Na\n0.474634 0.797306 0.268065 Na\n0.474634 0.702694 0.768065 Na\n0.525366 0.297306 0.268065 Na\n0.460586 0.032643 0.611904 Na\n0.539414 0.967357 0.111904 Na\n0.539414 0.532643 0.611904 Na\n0.460586 0.467357 0.111904 Na\n0.502911 0.115536 0.948982 Na\n0.497089 0.884464 0.448982 Na\n0.497089 0.615536 0.948982 Na\n0.502911 0.384464 0.448982 Na\n0.068560 0.386204 0.696993 La\n0.931440 0.613796 0.196993 La\n0.931440 0.886204 0.696993 La\n0.068560 0.113796 0.196993 La\n0.445259 0.365280 0.925467 La\n0.554741 0.634720 0.425467 La\n0.554741 0.865280 0.925467 La\n0.445259 0.134720 0.425467 La\n0.031240 0.524944 0.519518 P\n0.968760 0.475056 0.019518 P\n0.968760 0.024944 0.519518 P\n0.031240 0.975056 0.019518 P\n0.014523 0.770151 0.847132 P\n0.985477 0.229849 0.347132 P\n0.985477 0.270151 0.847132 P\n0.014523 0.729849 0.347132 P\n0.526111 0.480385 0.776370 P\n0.473889 0.519615 0.276370 P\n0.473889 0.980385 0.776370 P\n0.526111 0.019615 0.276370 P\n0.540390 0.273464 0.603214 P\n0.459610 0.726536 0.103214 P\n0.459610 0.773464 0.603214 P\n0.540390 0.226536 0.103214 P\n0.415832 0.196411 0.648612 O\n0.584168 0.803589 0.148612 O\n0.584168 0.696411 0.648612 O\n0.415832 0.303589 0.148612 O\n0.308705 0.529840 0.737387 O\n0.691295 0.470160 0.237387 O\n0.691295 0.029840 0.737387 O\n0.308705 0.970160 0.237387 O\n0.095435 0.121894 0.504598 O\n0.904565 0.878106 0.004598 O\n0.904565 0.621894 0.504598 O\n0.095435 0.378106 0.004598 O\n0.194331 0.218909 0.888584 O\n0.805669 0.781091 0.388584 O\n0.805669 0.718909 0.888584 O\n0.194331 0.281091 0.388584 O\n0.314033 0.532264 0.503400 O\n0.685967 0.467736 0.003400 O\n0.685967 0.032264 0.503400 O\n0.314033 0.967736 0.003400 O\n0.088110 0.552607 0.973289 O\n0.911890 0.447393 0.473289 O\n0.911890 0.052607 0.973289 O\n0.088110 0.947393 0.473289 O\n0.227348 0.008637 0.740373 O\n0.772652 0.991363 0.240373 O\n0.772652 0.508637 0.740373 O\n0.227348 0.491363 0.240373 O\n0.410290 0.370111 0.615959 O\n0.589710 0.629889 0.115959 O\n0.589710 0.870111 0.615959 O\n0.410290 0.129889 0.115959 O\n0.484619 0.371915 0.774131 O\n0.515381 0.628085 0.274131 O\n0.515381 0.871915 0.774131 O\n0.484619 0.128085 0.274131 O\n0.032773 0.378311 0.849655 O\n0.967227 0.621689 0.349655 O\n0.967227 0.878311 0.849655 O\n0.032773 0.121689 0.349655 O\n0.179595 0.781519 0.623348 O\n0.820405 0.218481 0.123348 O\n0.820405 0.281519 0.623348 O\n0.179595 0.718481 0.123348 O\n0.011105 0.738024 0.768653 O\n0.988895 0.261976 0.268653 O\n0.988895 0.238024 0.768653 O\n0.011105 0.761976 0.268653 O\n0.470143 0.012891 0.854788 O\n0.529857 0.987109 0.354788 O\n0.529857 0.512891 0.854788 O\n0.470143 0.487109 0.354788 O\n0.007523 0.003317 0.599526 O\n0.992477 0.996683 0.099526 O\n0.992477 0.503317 0.599526 O\n0.007523 0.496683 0.099526 O\n0.733400 0.243373 0.880554 O\n0.266600 0.756627 0.380554 O\n0.266600 0.743373 0.880554 O\n0.733400 0.256627 0.380554 O\n0.527641 0.251148 0.522778 O\n0.472359 0.748852 0.022778 O\n0.472359 0.751148 0.522778 O\n0.527641 0.248852 0.022778 O\n",
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{
"id": "mp-1276409",
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"structure_string": "Co2 As2 O7\n1.0\n4.828500 -0.038026 -0.562715\n-0.847107 5.169474 -1.503986\n-0.065927 0.055327 5.454839\nCo As O\n2 2 7\ndirect\n0.497927 0.309122 0.693663 Co\n0.499494 0.693327 0.310365 Co\n0.099114 0.759254 0.760940 As\n0.900855 0.236708 0.235217 As\n0.008913 0.003629 0.999642 O\n0.770595 0.596974 0.598617 O\n0.223962 0.405919 0.405862 O\n0.292160 0.927599 0.597037 O\n0.289454 0.594471 0.929256 O\n0.709909 0.403431 0.070135 O\n0.707617 0.069564 0.399266 O\n",
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{
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"structure_string": "Rb8 Ti4 P12 Se50\n1.0\n0.000000 18.375838 19.192105\n3.516891 0.000000 19.192105\n3.516891 18.375838 0.000000\nRb Ti P Se\n8 4 12 50\ndirect\n0.213089 0.934148 0.933228 Rb\n0.742340 0.968551 0.371384 Rb\n0.315852 0.036911 0.330465 Rb\n0.316772 0.330465 0.036911 Rb\n0.878616 0.332276 0.507660 Rb\n0.919535 0.933228 0.934148 Rb\n0.917724 0.371384 0.968551 Rb\n0.281449 0.507660 0.332276 Rb\n0.345443 0.217757 0.406800 Ti\n0.032243 0.904557 0.220000 Ti\n0.843200 0.220000 0.904557 Ti\n0.030000 0.406800 0.217757 Ti\n0.228759 0.340907 0.342222 P\n0.088113 0.342222 0.340907 P\n0.736932 0.475302 0.928343 P\n0.909093 0.021241 0.161887 P\n0.774698 0.513068 0.390576 P\n0.321657 0.390576 0.513068 P\n0.859424 0.928343 0.475302 P\n0.856417 0.067740 0.792116 P\n0.907778 0.161887 0.021241 P\n0.457884 0.966274 0.393583 P\n0.283726 0.792116 0.067740 P\n0.182260 0.393583 0.966274 P\n0.582853 0.558426 0.157826 Se\n0.357933 0.142067 0.142067 Se\n0.756859 0.021519 0.689179 Se\n0.751501 0.427061 0.439871 Se\n0.100787 0.890288 0.622265 Se\n0.243651 0.138550 0.111227 Se\n0.921149 0.440892 0.574346 Se\n0.188289 0.284115 0.650038 Se\n0.111450 0.006349 0.743429 Se\n0.822939 0.498499 0.868434 Se\n0.138773 0.743429 0.006349 Se\n0.447960 0.596848 0.016115 Se\n0.233885 0.310924 0.802040 Se\n0.074061 0.272370 0.083330 Se\n0.107933 0.892067 0.892067 Se\n0.599962 0.372442 0.061711 Se\n0.228481 0.493141 0.717557 Se\n0.063612 0.574346 0.440892 Se\n0.691574 0.667147 0.549105 Se\n0.532443 0.689179 0.021519 Se\n0.673429 0.330258 0.175519 Se\n0.810129 0.868434 0.498499 Se\n0.455316 0.932039 0.582883 Se\n0.653152 0.802040 0.310924 Se\n0.700895 0.157826 0.558426 Se\n0.255399 0.431531 0.907336 Se\n0.342664 0.844266 0.994601 Se\n0.506571 0.111227 0.138550 Se\n0.317961 0.794684 0.220239 Se\n0.029761 0.582883 0.932039 Se\n0.675654 0.186388 0.328851 Se\n0.877558 0.650038 0.284115 Se\n0.092174 0.549105 0.667147 Se\n0.074481 0.429206 0.576571 Se\n0.667117 0.220239 0.794684 Se\n0.818469 0.994601 0.844266 Se\n0.939076 0.016115 0.596848 Se\n0.977630 0.175939 0.679761 Se\n0.359712 0.149213 0.863340 Se\n0.919742 0.576571 0.429206 Se\n0.820794 0.175519 0.330258 Se\n0.560821 0.717557 0.493141 Se\n0.627735 0.863340 0.149213 Se\n0.386660 0.622265 0.890288 Se\n0.570239 0.083330 0.272370 Se\n0.965885 0.061711 0.372442 Se\n0.381566 0.439871 0.427061 Se\n0.405734 0.907336 0.431531 Se\n0.166670 0.679761 0.175939 Se\n0.809108 0.328851 0.186388 Se\n",
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{
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"structure_string": "Na1 Ce1 Hf1 Zr1 O6\n1.0\n0.000000 -4.131460 -4.131460\n4.131460 0.000000 -4.131460\n4.131460 -4.131460 0.000000\nNa Ce Hf Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ce\n-0.000000 0.000000 0.000000 Hf\n0.500000 0.500000 0.500000 Zr\n0.751774 0.248226 0.248226 O\n0.248226 0.751774 0.751774 O\n0.751774 0.248226 0.751774 O\n0.248226 0.751774 0.248226 O\n0.751774 0.751774 0.248226 O\n0.248226 0.248226 0.751774 O\n",
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{
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