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{
"id": "mp-771015",
"created_at": "2022-09-04T14:41:55.778679Z",
"structure_string": "Li12 Ni4 As4 C4 O28\n1.0\n0.187633 -0.000275 5.073242\n8.499165 6.570277 0.379725\n-8.498987 6.570085 -0.380440\nLi Ni As C O\n12 4 4 4 28\ndirect\n0.778730 0.173508 0.076472 Li\n0.778767 0.673540 0.576496 Li\n0.221251 0.826501 0.923569 Li\n0.221179 0.326463 0.423551 Li\n0.248015 0.143659 0.875369 Li\n0.247911 0.643658 0.375278 Li\n0.248070 0.374698 0.106418 Li\n0.248078 0.874760 0.606457 Li\n0.751975 0.625351 0.893633 Li\n0.751972 0.125280 0.393585 Li\n0.752043 0.856360 0.124686 Li\n0.752044 0.356337 0.624691 Li\n0.792652 0.035389 0.714383 Ni\n0.207442 0.964570 0.285471 Ni\n0.792650 0.535167 0.214424 Ni\n0.207164 0.464492 0.785358 Ni\n0.720670 0.333460 0.916536 As\n0.720644 0.833413 0.416547 As\n0.279339 0.666504 0.083430 As\n0.279390 0.166605 0.583477 As\n0.689221 0.391483 0.358450 C\n0.689375 0.891599 0.858468 C\n0.310737 0.608552 0.641547 C\n0.310631 0.108472 0.141572 C\n0.373926 0.180892 0.069148 O\n0.374001 0.680959 0.569100 O\n0.626024 0.819159 0.930915 O\n0.625938 0.319108 0.430956 O\n0.933324 0.408751 0.341180 O\n0.933440 0.908890 0.841222 O\n0.066623 0.591236 0.658802 O\n0.066558 0.091156 0.158851 O\n0.505212 0.449522 0.300264 O\n0.505337 0.949697 0.800335 O\n0.494766 0.550462 0.699696 O\n0.494687 0.050362 0.199719 O\n0.378761 0.347183 0.902942 O\n0.378724 0.847095 0.402941 O\n0.621281 0.652770 0.097033 O\n0.621312 0.152987 0.597123 O\n0.166478 0.574590 0.175339 O\n0.166624 0.074725 0.675422 O\n0.833433 0.425383 0.824624 O\n0.833415 0.925319 0.324612 O\n0.832837 0.174198 0.879674 O\n0.832830 0.674156 0.379711 O\n0.833054 0.370192 0.075785 O\n0.833081 0.870276 0.575787 O\n0.166994 0.629768 0.924179 O\n0.167067 0.129719 0.424234 O\n0.167176 0.825778 0.120298 O\n0.167148 0.325850 0.620240 O\n",
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},
{
"id": "mp-1181942",
"created_at": "2022-09-04T14:43:05.713378Z",
"structure_string": "Eu8 Ga16 S32\n1.0\n0.000000 10.279657 10.416945\n6.168372 0.000000 10.416945\n6.168372 10.279657 0.000000\nEu Ga S\n8 16 32\ndirect\n0.247599 0.247599 0.752401 Eu\n0.000000 0.000000 0.000000 Eu\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Eu\n0.002401 0.002401 0.497599 Eu\n0.497599 0.497599 0.002401 Eu\n0.752401 0.752401 0.247599 Eu\n0.750000 0.750000 0.750000 Eu\n0.760418 0.488575 0.014755 Ga\n0.488575 0.760418 0.736252 Ga\n0.489582 0.761425 0.235245 Ga\n0.265713 0.984910 0.591408 Ga\n0.591408 0.157969 0.265713 Ga\n0.265090 0.984287 0.092031 Ga\n0.014755 0.736252 0.760418 Ga\n0.235245 0.513748 0.489582 Ga\n0.736252 0.014755 0.488575 Ga\n0.984910 0.265713 0.157969 Ga\n0.157969 0.591408 0.984910 Ga\n0.658592 0.092031 0.984287 Ga\n0.761425 0.489582 0.513748 Ga\n0.092031 0.658592 0.265090 Ga\n0.984287 0.265090 0.658592 Ga\n0.513748 0.235245 0.761425 Ga\n0.780916 0.471431 0.311120 S\n0.778569 0.469084 0.813467 S\n0.311120 0.436533 0.780916 S\n0.040334 0.042611 0.209498 S\n0.436533 0.311120 0.471431 S\n0.776921 0.975358 0.282752 S\n0.040753 0.542469 0.709842 S\n0.469084 0.778569 0.938880 S\n0.707531 0.209247 0.543063 S\n0.813467 0.938880 0.778569 S\n0.543063 0.540158 0.707531 S\n0.042611 0.040334 0.707557 S\n0.938880 0.813467 0.469084 S\n0.964969 0.282752 0.975358 S\n0.542443 0.040502 0.207389 S\n0.209666 0.207389 0.040502 S\n0.967248 0.285031 0.473079 S\n0.209498 0.707557 0.040334 S\n0.709842 0.706937 0.040753 S\n0.473079 0.274642 0.967248 S\n0.282752 0.964969 0.776921 S\n0.274642 0.473079 0.285031 S\n0.471431 0.780916 0.436533 S\n0.285031 0.967248 0.274642 S\n0.209247 0.707531 0.540158 S\n0.207389 0.209666 0.542443 S\n0.707557 0.209498 0.042611 S\n0.542469 0.040753 0.706937 S\n0.706937 0.709842 0.542469 S\n0.040502 0.542443 0.209666 S\n0.975358 0.776921 0.964969 S\n0.540158 0.543063 0.209247 S\n",
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"formula_full": "Eu8 Ga16 S32",
"formula_reduced": "Eu(GaS2)2",
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{
"id": "mp-17359",
"created_at": "2022-09-04T14:47:56.992143Z",
"structure_string": "Cs4 Ti4 P8 O28\n1.0\n10.402974 0.000000 0.000000\n0.000000 7.874920 0.000000\n0.000000 2.184279 8.162182\nCs Ti P O\n4 4 8 28\ndirect\n0.302119 0.199274 0.453629 Cs\n0.802119 0.800726 0.046371 Cs\n0.697881 0.800726 0.546371 Cs\n0.197881 0.199274 0.953629 Cs\n0.897683 0.240409 0.242206 Ti\n0.397683 0.759591 0.257794 Ti\n0.102317 0.759591 0.757794 Ti\n0.602317 0.240409 0.742206 Ti\n0.628216 0.424810 0.318334 P\n0.128216 0.575190 0.181666 P\n0.371784 0.575190 0.681666 P\n0.871784 0.424810 0.818334 P\n0.596590 0.130000 0.169348 P\n0.096590 0.870000 0.330652 P\n0.403410 0.870000 0.830652 P\n0.903410 0.130000 0.669348 P\n0.567944 0.607165 0.272988 O\n0.067944 0.392835 0.227012 O\n0.432056 0.392835 0.727012 O\n0.932056 0.607165 0.772988 O\n0.770719 0.434295 0.270697 O\n0.270719 0.565705 0.229303 O\n0.229281 0.565705 0.729303 O\n0.729281 0.434295 0.770697 O\n0.604345 0.322714 0.496952 O\n0.104345 0.677286 0.003048 O\n0.395655 0.677286 0.503048 O\n0.895655 0.322714 0.996952 O\n0.552172 0.313922 0.207656 O\n0.052172 0.686078 0.292344 O\n0.447828 0.686078 0.792344 O\n0.947828 0.313922 0.707656 O\n0.496030 0.010382 0.736963 O\n0.996030 0.989618 0.763037 O\n0.503970 0.989618 0.263037 O\n0.003970 0.010382 0.236963 O\n0.764955 0.090844 0.731128 O\n0.264955 0.909156 0.768872 O\n0.235045 0.909156 0.268872 O\n0.735045 0.090844 0.231127 O\n0.586366 0.160997 0.983836 O\n0.086366 0.839003 0.516164 O\n0.413634 0.839003 0.016164 O\n0.913634 0.160997 0.483836 O\n",
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"formula_full": "Cs4 Ti4 P8 O28",
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},
{
"id": "mp-696825",
"created_at": "2022-09-04T14:45:55.401942Z",
"structure_string": "Ca4 Al4 Fe2 Si6 H2 O26\n1.0\n5.715017 0.000000 0.000000\n0.000000 9.008291 0.000000\n0.000000 4.396102 9.269853\nCa Al Fe Si H O\n4 4 2 6 2 26\ndirect\n0.250000 0.244934 0.151108 Ca\n0.750000 0.755066 0.848892 Ca\n0.250000 0.393744 0.423763 Ca\n0.750000 0.606256 0.576237 Ca\n0.500000 0.000000 0.000000 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.500000 Al\n0.750000 0.706110 0.224263 Fe\n0.250000 0.293890 0.775737 Fe\n0.250000 0.661224 0.047415 Si\n0.750000 0.338776 0.952585 Si\n0.750000 0.314028 0.274865 Si\n0.250000 0.685972 0.725135 Si\n0.250000 0.816137 0.319010 Si\n0.750000 0.183863 0.680990 Si\n0.750000 0.945137 0.325745 H\n0.250000 0.054863 0.674255 H\n0.493310 0.767239 0.039530 O\n0.993310 0.232761 0.960470 O\n0.506690 0.232761 0.960470 O\n0.006690 0.767239 0.039530 O\n0.480628 0.695479 0.357271 O\n0.980628 0.304521 0.642729 O\n0.519372 0.304521 0.642729 O\n0.019372 0.695479 0.357271 O\n0.513775 0.203478 0.338376 O\n0.013775 0.796522 0.661624 O\n0.486225 0.796522 0.661624 O\n0.986225 0.203478 0.338376 O\n0.750000 0.948666 0.128348 O\n0.250000 0.051334 0.871652 O\n0.250000 0.958184 0.145992 O\n0.750000 0.041816 0.854008 O\n0.250000 0.932527 0.408155 O\n0.750000 0.067473 0.591845 O\n0.250000 0.485516 0.181522 O\n0.750000 0.514484 0.818478 O\n0.750000 0.471489 0.310943 O\n0.250000 0.528511 0.689057 O\n0.750000 0.374467 0.098251 O\n0.250000 0.625533 0.901749 O\n0.750000 0.916366 0.429911 O\n0.250000 0.083634 0.570089 O\n",
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{
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"structure_string": "Al8 H24 O24\n1.0\n5.135988 0.000000 0.000000\n0.105524 8.863738 0.000000\n0.153659 1.153129 9.484704\nAl H O\n8 24 24\ndirect\n0.998233 0.336777 0.499251 Al\n0.001861 0.668336 0.498709 Al\n0.502014 0.836009 0.499420 Al\n0.499341 0.173852 0.502871 Al\n0.982541 0.830641 0.994808 Al\n0.977314 0.166406 0.998140 Al\n0.476297 0.332683 0.996855 Al\n0.489363 0.664874 0.998733 Al\n0.825921 0.011108 0.394365 H\n0.364689 0.970832 0.704398 H\n0.675905 0.488777 0.606077 H\n0.327770 0.514373 0.386243 H\n0.152899 0.124474 0.336983 H\n0.914444 0.897793 0.617259 H\n0.351860 0.601952 0.686802 H\n0.661053 0.378611 0.299935 H\n0.241511 0.794313 0.295993 H\n0.762753 0.222801 0.705610 H\n0.286293 0.274580 0.708341 H\n0.695780 0.725916 0.290384 H\n0.073632 0.960402 0.203450 H\n0.863731 0.031592 0.788531 H\n0.165784 0.524600 0.887795 H\n0.806265 0.475071 0.100625 H\n0.133058 0.607802 0.192083 H\n0.842743 0.402868 0.815384 H\n0.393951 0.102484 0.890490 H\n0.574093 0.896063 0.112145 H\n0.264260 0.780926 0.794816 H\n0.633965 0.131003 0.200088 H\n0.161377 0.306581 0.199549 H\n0.795342 0.721390 0.790329 H\n0.636896 0.019722 0.389977 O\n0.361229 0.989829 0.601707 O\n0.865863 0.491672 0.610361 O\n0.137047 0.517519 0.386501 O\n0.202867 0.209143 0.385594 O\n0.815699 0.805791 0.609452 O\n0.306733 0.679804 0.608537 O\n0.693533 0.330257 0.395898 O\n0.193881 0.832485 0.385275 O\n0.802290 0.180125 0.616587 O\n0.304952 0.307891 0.605075 O\n0.691446 0.701629 0.394263 O\n0.106598 0.985771 0.102908 O\n0.856637 0.010572 0.890938 O\n0.355823 0.515403 0.883721 O\n0.616123 0.483450 0.107356 O\n0.177792 0.677820 0.107713 O\n0.783245 0.317866 0.882650 O\n0.293453 0.197216 0.887365 O\n0.668272 0.800062 0.108481 O\n0.298599 0.822820 0.882970 O\n0.662260 0.172692 0.101323 O\n0.154601 0.313317 0.096434 O\n0.807740 0.689469 0.892877 O\n",
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{
"id": "mp-558810",
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"structure_string": "Ca8 Ta4 Mn4 O24\n1.0\n5.521301 -0.017900 0.000000\n0.815415 11.453976 0.000000\n0.000000 0.000000 7.708804\nCa Ta Mn O\n8 4 4 24\ndirect\n0.017953 0.476298 0.250000 Ca\n0.017953 0.976298 0.250000 Ca\n0.982047 0.023702 0.750000 Ca\n0.982047 0.523702 0.750000 Ca\n0.494027 0.216846 0.250000 Ca\n0.494027 0.716846 0.250000 Ca\n0.505973 0.283154 0.750000 Ca\n0.505973 0.783154 0.750000 Ca\n0.000000 0.250000 0.000000 Ta\n0.000000 0.750000 0.000000 Ta\n0.000000 0.250000 0.500000 Ta\n0.000000 0.750000 0.500000 Ta\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.000000 0.500000 Mn\n0.097715 0.236001 0.750000 O\n0.097715 0.736001 0.750000 O\n0.902285 0.263999 0.250000 O\n0.902285 0.763999 0.250000 O\n0.595108 0.013962 0.250000 O\n0.595108 0.513962 0.250000 O\n0.404892 0.486038 0.750000 O\n0.404892 0.986038 0.750000 O\n0.798094 0.398581 0.548350 O\n0.798094 0.898581 0.548350 O\n0.201906 0.101419 0.451650 O\n0.201906 0.601419 0.451650 O\n0.798094 0.398581 0.951650 O\n0.798094 0.898581 0.951650 O\n0.201906 0.101419 0.048350 O\n0.201906 0.601419 0.048350 O\n0.280834 0.342577 0.451470 O\n0.280834 0.842577 0.451470 O\n0.719166 0.157423 0.951470 O\n0.719166 0.657423 0.951470 O\n0.719166 0.157423 0.548530 O\n0.719166 0.657423 0.548530 O\n0.280834 0.342577 0.048530 O\n0.280834 0.842577 0.048530 O\n",
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{
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