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{
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"results": [
{
"id": "mp-21535",
"created_at": "2022-09-04T14:46:22.930193Z",
"structure_string": "Mn8 Be6 Ge6 Se2 O24\n1.0\n8.615850 0.000000 0.000000\n0.000000 8.615850 0.000000\n0.000000 0.000000 8.615850\nMn Be Ge Se O\n8 6 6 2 24\ndirect\n0.673921 0.673921 0.673921 Mn\n0.826079 0.173921 0.826079 Mn\n0.173921 0.826079 0.826079 Mn\n0.826079 0.826079 0.173921 Mn\n0.673921 0.326079 0.326079 Mn\n0.326079 0.326079 0.673921 Mn\n0.173921 0.173921 0.173921 Mn\n0.326079 0.673921 0.326079 Mn\n0.250000 0.500000 0.000000 Be\n0.500000 0.000000 0.750000 Be\n0.500000 0.000000 0.250000 Be\n0.000000 0.250000 0.500000 Be\n0.000000 0.750000 0.500000 Be\n0.750000 0.500000 0.000000 Be\n0.250000 0.000000 0.500000 Ge\n0.500000 0.750000 0.000000 Ge\n0.500000 0.250000 0.000000 Ge\n0.000000 0.500000 0.250000 Ge\n0.000000 0.500000 0.750000 Ge\n0.750000 0.000000 0.500000 Ge\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 Se\n0.136060 0.852824 0.587599 O\n0.636060 0.087599 0.352824 O\n0.912401 0.647176 0.636060 O\n0.087599 0.647176 0.363940 O\n0.647176 0.636060 0.912401 O\n0.352824 0.363940 0.912401 O\n0.863940 0.852824 0.412401 O\n0.863940 0.147176 0.587599 O\n0.636060 0.912401 0.647176 O\n0.147176 0.587599 0.863940 O\n0.587599 0.136060 0.852824 O\n0.587599 0.863940 0.147176 O\n0.852824 0.412401 0.863940 O\n0.412401 0.863940 0.852824 O\n0.136060 0.147176 0.412401 O\n0.363940 0.912401 0.352824 O\n0.363940 0.087599 0.647176 O\n0.852824 0.587599 0.136060 O\n0.912401 0.352824 0.363940 O\n0.647176 0.363940 0.087599 O\n0.352824 0.636060 0.087599 O\n0.412401 0.136060 0.147176 O\n0.147176 0.412401 0.136060 O\n0.087599 0.352824 0.636060 O\n",
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"formula_full": "Mn8 Be6 Ge6 Se2 O24",
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},
{
"id": "mp-836079",
"created_at": "2022-09-04T14:40:43.347781Z",
"structure_string": "Mn4 C20 O20\n1.0\n3.667629 9.024258 0.000000\n-3.667629 9.024258 0.000000\n0.000000 8.623388 11.736792\nMn C O\n4 20 20\ndirect\n0.301336 0.837399 0.778368 Mn\n0.162601 0.698664 0.721632 Mn\n0.698664 0.162601 0.221632 Mn\n0.837399 0.301336 0.278368 Mn\n0.392579 0.916417 0.807128 C\n0.083583 0.607421 0.692872 C\n0.607421 0.083583 0.192872 C\n0.916417 0.392579 0.307128 C\n0.306984 0.642030 0.916841 C\n0.357970 0.693016 0.583159 C\n0.693016 0.357970 0.083159 C\n0.642030 0.306984 0.416841 C\n0.270979 0.022918 0.635813 C\n0.977082 0.729021 0.864187 C\n0.729021 0.977082 0.364187 C\n0.022917 0.270979 0.135813 C\n0.029776 0.023585 0.842690 C\n0.976415 0.970224 0.657310 C\n0.970224 0.976415 0.157310 C\n0.023585 0.029776 0.342690 C\n0.563554 0.636363 0.712975 C\n0.363637 0.436446 0.787025 C\n0.436446 0.363637 0.287025 C\n0.636363 0.563554 0.212975 C\n0.451484 0.966568 0.825325 O\n0.033432 0.548516 0.674675 O\n0.548516 0.033432 0.174675 O\n0.966568 0.451484 0.325325 O\n0.308018 0.522247 0.004085 O\n0.477753 0.691982 0.495915 O\n0.691982 0.477753 0.995915 O\n0.522247 0.308018 0.504085 O\n0.249633 0.141928 0.547916 O\n0.858072 0.750367 0.952084 O\n0.750367 0.858072 0.452084 O\n0.141928 0.249633 0.047916 O\n0.862400 0.137537 0.887069 O\n0.862463 0.137600 0.612931 O\n0.137600 0.862463 0.112931 O\n0.137537 0.862400 0.387069 O\n0.726977 0.511565 0.672789 O\n0.488435 0.273023 0.827211 O\n0.273023 0.488435 0.327211 O\n0.511565 0.726977 0.172789 O\n",
"nsites": 44,
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"elements": [
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"C",
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],
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"density": 1.6670241156104082,
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"volume": 776.9200060874523,
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"formula_full": "Mn4 C20 O20",
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},
{
"id": "mp-1196083",
"created_at": "2022-09-04T14:44:15.855092Z",
"structure_string": "K4 H8 Au4 C16 N16 O4\n1.0\n6.823444 0.000000 0.000000\n0.000000 7.505780 0.000000\n0.000000 0.000000 17.511493\nK H Au C N O\n4 8 4 16 16 4\ndirect\n0.739919 0.467944 0.982656 K\n0.760081 0.532056 0.482656 K\n0.239919 0.032056 0.017344 K\n0.260081 0.967944 0.517344 K\n0.314698 0.687611 0.930357 H\n0.185302 0.312389 0.430357 H\n0.814698 0.812389 0.069643 H\n0.685302 0.187611 0.569643 H\n0.277013 0.592631 0.008089 H\n0.222987 0.407369 0.508089 H\n0.777013 0.907369 0.991911 H\n0.722987 0.092631 0.491911 H\n0.242229 0.428162 0.739021 Au\n0.257771 0.571838 0.239021 Au\n0.742229 0.071838 0.260979 Au\n0.757771 0.928162 0.760979 Au\n0.348800 0.524140 0.640257 C\n0.151200 0.475860 0.140257 C\n0.848800 0.975860 0.359743 C\n0.651200 0.024140 0.859743 C\n0.998205 0.352821 0.683559 C\n0.501795 0.647179 0.183559 C\n0.498205 0.147179 0.316441 C\n0.001795 0.852821 0.816441 C\n0.135090 0.336399 0.838662 C\n0.364910 0.663601 0.338662 C\n0.635090 0.163601 0.161338 C\n0.864910 0.836399 0.661338 C\n0.488684 0.500386 0.793884 C\n0.011316 0.499614 0.293884 C\n0.988684 0.999614 0.206116 C\n0.511316 0.000386 0.706116 C\n0.411807 0.577561 0.582674 N\n0.088193 0.422439 0.082674 N\n0.911807 0.922439 0.417326 N\n0.588193 0.077561 0.917326 N\n0.859708 0.304760 0.650427 N\n0.640292 0.695240 0.150427 N\n0.359708 0.195240 0.349573 N\n0.140292 0.804760 0.849573 N\n0.080152 0.286800 0.898096 N\n0.419848 0.713200 0.398096 N\n0.580152 0.213200 0.101904 N\n0.919848 0.786800 0.601904 N\n0.629151 0.542296 0.827381 N\n0.870849 0.457704 0.327381 N\n0.129151 0.957704 0.172619 N\n0.370849 0.042296 0.672619 N\n0.374087 0.663780 0.980525 O\n0.125913 0.336220 0.480525 O\n0.874087 0.836220 0.019475 O\n0.625913 0.163780 0.519475 O\n",
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"elements": [
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],
"chemical_system": "Au-C-H-K-N-O",
"density": 2.652473798905727,
"density_atomic": 0.05798033313759226,
"volume": 896.8558334530362,
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"formula_full": "K4 H8 Au4 C16 N16 O4",
"formula_reduced": "KH2AuC4N4O",
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"energy": -354.82380289,
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"updated_at": "2021-11-28T01:36:36.453000Z",
"spacegroup": 19
},
{
"id": "mp-1199147",
"created_at": "2022-09-04T14:45:56.763199Z",
"structure_string": "K36 Fe8 O28\n1.0\n11.138993 0.000000 0.000000\n0.000000 11.138993 0.000000\n0.000000 0.000000 11.138993\nK Fe O\n36 8 28\ndirect\n0.097098 0.597098 0.902902 K\n0.597098 0.902902 0.097098 K\n0.902902 0.097098 0.597098 K\n0.402902 0.402902 0.402902 K\n0.263299 0.763299 0.736701 K\n0.763299 0.736701 0.263299 K\n0.736701 0.263299 0.763299 K\n0.236701 0.236701 0.236701 K\n0.425441 0.925441 0.574559 K\n0.925441 0.574559 0.425441 K\n0.574559 0.425441 0.925441 K\n0.074559 0.074559 0.074559 K\n0.215057 0.162243 0.509074 K\n0.490926 0.715057 0.337757 K\n0.662243 0.990926 0.784943 K\n0.715057 0.337757 0.490926 K\n0.990926 0.784943 0.662243 K\n0.162243 0.509074 0.215057 K\n0.784943 0.662243 0.990926 K\n0.509074 0.215057 0.162243 K\n0.337757 0.490926 0.715057 K\n0.284943 0.837757 0.009074 K\n0.009074 0.284943 0.837757 K\n0.837757 0.009074 0.284943 K\n0.718088 0.835501 0.530984 K\n0.469016 0.218088 0.664499 K\n0.335501 0.969016 0.281912 K\n0.218088 0.664499 0.469016 K\n0.969016 0.281912 0.335501 K\n0.835501 0.530984 0.718088 K\n0.281912 0.335501 0.969016 K\n0.530984 0.718088 0.835501 K\n0.664499 0.469016 0.218088 K\n0.781912 0.164499 0.030984 K\n0.030984 0.781912 0.164499 K\n0.164499 0.030984 0.781912 K\n0.927980 0.427980 0.072020 Fe\n0.427980 0.072020 0.927980 Fe\n0.072020 0.927980 0.427980 Fe\n0.572020 0.572020 0.572020 Fe\n0.595062 0.095062 0.404938 Fe\n0.095062 0.404938 0.595062 Fe\n0.404938 0.595062 0.095062 Fe\n0.904938 0.904938 0.904938 Fe\n0.660470 0.088375 0.566353 O\n0.433647 0.160470 0.411625 O\n0.588375 0.933647 0.339530 O\n0.160470 0.411625 0.433647 O\n0.933647 0.339530 0.588375 O\n0.088375 0.566353 0.660470 O\n0.339530 0.588375 0.933647 O\n0.566353 0.660470 0.088375 O\n0.411625 0.433647 0.160470 O\n0.839530 0.911625 0.066353 O\n0.066353 0.839530 0.911625 O\n0.911625 0.066353 0.839530 O\n0.180407 0.915127 0.560706 O\n0.439294 0.680407 0.584873 O\n0.415127 0.939294 0.819593 O\n0.680407 0.584873 0.439294 O\n0.939294 0.819593 0.415127 O\n0.915127 0.560706 0.180407 O\n0.819593 0.415127 0.939294 O\n0.560706 0.180407 0.915127 O\n0.584873 0.439294 0.680407 O\n0.319593 0.084873 0.060706 O\n0.060706 0.319593 0.084873 O\n0.084873 0.060706 0.319593 O\n0.695980 0.195980 0.304020 O\n0.195980 0.304020 0.695980 O\n0.304020 0.695980 0.195980 O\n0.804020 0.804020 0.804020 O\n",
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],
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"volume": 1382.0946729968962,
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"formula_full": "K36 Fe8 O28",
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"spacegroup": 198
},
{
"id": "mp-867778",
"created_at": "2022-09-04T14:48:09.166476Z",
"structure_string": "Na8 Mn4 P4 C4 O28\n1.0\n6.761783 0.000000 0.000000\n0.134907 10.170192 0.000000\n0.113768 5.037384 9.070859\nNa Mn P C O\n8 4 4 4 28\ndirect\n0.015051 0.742953 0.252115 Na\n0.483382 0.744030 0.254052 Na\n0.006330 0.759149 0.741629 Na\n0.493322 0.760929 0.741513 Na\n0.986241 0.246583 0.265340 Na\n0.507053 0.249501 0.738145 Na\n0.996442 0.249917 0.742118 Na\n0.738372 0.084233 0.082463 Na\n0.748699 0.645502 0.068091 Mn\n0.750814 0.648460 0.564561 Mn\n0.261378 0.346948 0.428387 Mn\n0.254473 0.349118 0.936595 Mn\n0.248749 0.578304 0.065510 P\n0.250958 0.577671 0.565069 P\n0.752376 0.418032 0.439656 P\n0.751218 0.421847 0.934807 P\n0.749199 0.928824 0.903589 C\n0.751281 0.929212 0.396069 C\n0.248472 0.072069 0.597531 C\n0.247015 0.072366 0.098852 C\n0.246107 0.932275 0.675090 O\n0.246693 0.931368 0.170884 O\n0.746076 0.851111 0.050844 O\n0.748248 0.854177 0.542467 O\n0.748552 0.846077 0.840946 O\n0.747653 0.839459 0.337447 O\n0.061727 0.674844 0.050907 O\n0.436170 0.669201 0.055165 O\n0.063375 0.671524 0.552775 O\n0.437215 0.669177 0.553809 O\n0.252010 0.543811 0.431224 O\n0.748061 0.572601 0.294881 O\n0.250504 0.545661 0.930750 O\n0.751707 0.575876 0.791028 O\n0.241769 0.426576 0.209458 O\n0.756731 0.456477 0.067395 O\n0.250298 0.424768 0.711047 O\n0.758307 0.454013 0.574024 O\n0.565822 0.326439 0.462433 O\n0.939661 0.327281 0.449666 O\n0.569183 0.326728 0.945246 O\n0.933549 0.322151 0.948369 O\n0.251826 0.166383 0.650105 O\n0.237707 0.163288 0.153200 O\n0.248909 0.141530 0.452474 O\n0.258845 0.145668 0.951616 O\n0.752421 0.070749 0.841095 O\n0.757947 0.068413 0.321498 O\n",
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{
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"structure_string": "Ca4 Cr4 P8 O28\n1.0\n6.187920 -0.005719 0.189165\n2.389072 6.097246 0.877115\n-0.004967 0.107555 14.762461\nCa Cr P O\n4 4 8 28\ndirect\n0.296806 0.713245 0.317842 Ca\n0.296803 0.713253 0.817841 Ca\n0.703202 0.286744 0.182159 Ca\n0.703189 0.286753 0.682160 Ca\n0.267812 0.125202 0.585692 Cr\n0.732190 0.874797 0.914305 Cr\n0.267815 0.125209 0.085698 Cr\n0.732188 0.874801 0.414293 Cr\n0.164995 0.658280 0.058953 P\n0.165013 0.658282 0.558957 P\n0.835004 0.341722 0.441046 P\n0.834984 0.341723 0.941043 P\n0.235115 0.218941 0.310525 P\n0.235112 0.218918 0.810520 P\n0.764884 0.781059 0.189475 P\n0.764890 0.781083 0.689480 P\n0.075746 0.734993 0.458732 O\n0.075750 0.734993 0.958732 O\n0.924251 0.265009 0.041272 O\n0.924246 0.265013 0.541268 O\n0.253178 0.814649 0.098393 O\n0.253178 0.814638 0.598384 O\n0.746816 0.185347 0.401609 O\n0.746816 0.185356 0.901612 O\n0.336227 0.419438 0.072283 O\n0.336221 0.419452 0.572275 O\n0.663765 0.580566 0.427719 O\n0.663777 0.580549 0.927722 O\n0.638492 0.629072 0.226362 O\n0.638485 0.629059 0.726363 O\n0.361515 0.370932 0.273642 O\n0.361512 0.370932 0.773641 O\n0.098998 0.165255 0.238639 O\n0.099020 0.165258 0.738644 O\n0.900998 0.834740 0.261362 O\n0.900982 0.834744 0.761359 O\n0.061936 0.351287 0.383886 O\n0.061932 0.351288 0.883888 O\n0.938072 0.648708 0.116113 O\n0.938082 0.648702 0.616109 O\n0.603634 0.999994 0.135641 O\n0.603647 0.999984 0.635644 O\n0.396367 0.000005 0.364359 O\n0.396362 0.000015 0.864358 O\n",
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