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{
"id": "mp-685813",
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"structure_string": "Ti4 P16 Cl96\n1.0\n14.496580 0.000000 0.000000\n0.000000 15.083820 0.000000\n0.000000 0.000000 15.155694\nTi P Cl\n4 16 96\ndirect\n0.000000 0.875921 0.241618 Ti\n0.000000 0.124079 0.741618 Ti\n0.500000 0.491312 0.374218 Ti\n0.500000 0.508688 0.874218 Ti\n0.000000 0.374589 0.258641 P\n0.000000 0.625411 0.758641 P\n0.250135 0.250289 0.999604 P\n0.251112 0.378445 0.628515 P\n0.250135 0.749711 0.499604 P\n0.248806 0.122684 0.372557 P\n0.251112 0.621555 0.128515 P\n0.248806 0.877316 0.872557 P\n0.500000 0.991449 0.124952 P\n0.500000 0.008551 0.624952 P\n0.749865 0.250289 0.999604 P\n0.748888 0.378445 0.628515 P\n0.748888 0.621555 0.128515 P\n0.751194 0.877316 0.872557 P\n0.751194 0.122684 0.372557 P\n0.749865 0.749711 0.499604 P\n0.000000 0.260420 0.170199 Cl\n0.000000 0.462996 0.143993 Cl\n0.000000 0.286712 0.372572 Cl\n0.000000 0.489349 0.346968 Cl\n0.000000 0.537004 0.643993 Cl\n0.000000 0.510651 0.846968 Cl\n0.000000 0.739580 0.670199 Cl\n0.000000 0.713288 0.872572 Cl\n0.000000 0.218403 0.615921 Cl\n0.000000 0.030784 0.867207 Cl\n0.000000 0.250303 0.837432 Cl\n0.148946 0.375518 0.259194 Cl\n0.148946 0.624482 0.759194 Cl\n0.162086 0.875769 0.240940 Cl\n0.162086 0.124231 0.740940 Cl\n0.170337 0.375693 0.731367 Cl\n0.169551 0.120152 0.268578 Cl\n0.170337 0.624307 0.231367 Cl\n0.169551 0.879848 0.768578 Cl\n0.171499 0.876133 0.978960 Cl\n0.173321 0.379108 0.521859 Cl\n0.173321 0.620892 0.021859 Cl\n0.171499 0.123867 0.478960 Cl\n0.171910 0.355575 0.993673 Cl\n0.171910 0.644425 0.493673 Cl\n0.170624 0.854635 0.505330 Cl\n0.170624 0.145365 0.005330 Cl\n0.329500 0.754025 0.395409 Cl\n0.328346 0.742531 0.604775 Cl\n0.328346 0.257469 0.104775 Cl\n0.329500 0.245975 0.895409 Cl\n0.327773 0.229120 0.372440 Cl\n0.327522 0.728830 0.127452 Cl\n0.327773 0.770880 0.872440 Cl\n0.327522 0.271170 0.627452 Cl\n0.331623 0.518122 0.128287 Cl\n0.331623 0.481878 0.628287 Cl\n0.328321 0.018205 0.372891 Cl\n0.328321 0.981795 0.872891 Cl\n0.337799 0.509188 0.874104 Cl\n0.351140 0.990872 0.125577 Cl\n0.337799 0.490812 0.374104 Cl\n0.351140 0.009128 0.625577 Cl\n0.500000 0.365056 0.468818 Cl\n0.500000 0.587290 0.498510 Cl\n0.500000 0.634944 0.968818 Cl\n0.500000 0.391921 0.250684 Cl\n0.500000 0.618502 0.281016 Cl\n0.500000 0.381498 0.781016 Cl\n0.500000 0.412710 0.998510 Cl\n0.500000 0.608079 0.750684 Cl\n0.500000 0.877341 0.037420 Cl\n0.500000 0.902355 0.239223 Cl\n0.500000 0.080806 0.010710 Cl\n0.500000 0.106397 0.212364 Cl\n0.500000 0.893603 0.712364 Cl\n0.500000 0.097645 0.739223 Cl\n0.500000 0.919194 0.510710 Cl\n0.500000 0.122659 0.537420 Cl\n0.662201 0.490812 0.374104 Cl\n0.648860 0.009128 0.625577 Cl\n0.662201 0.509188 0.874104 Cl\n0.648860 0.990872 0.125577 Cl\n0.668377 0.481878 0.628287 Cl\n0.668377 0.518122 0.128287 Cl\n0.671679 0.981795 0.872891 Cl\n0.671679 0.018205 0.372891 Cl\n0.672478 0.728830 0.127452 Cl\n0.672227 0.770880 0.872440 Cl\n0.672227 0.229120 0.372440 Cl\n0.672478 0.271170 0.627452 Cl\n0.671654 0.257469 0.104775 Cl\n0.670500 0.245975 0.895409 Cl\n0.670500 0.754025 0.395409 Cl\n0.671654 0.742531 0.604775 Cl\n0.828090 0.355575 0.993673 Cl\n0.828090 0.644425 0.493673 Cl\n0.829376 0.854635 0.505330 Cl\n0.829376 0.145365 0.005330 Cl\n0.826679 0.379108 0.521859 Cl\n0.828501 0.876133 0.978960 Cl\n0.828501 0.123867 0.478960 Cl\n0.826679 0.620892 0.021859 Cl\n0.829663 0.624307 0.231367 Cl\n0.830449 0.879848 0.768578 Cl\n0.829663 0.375693 0.731367 Cl\n0.830449 0.120152 0.268578 Cl\n0.851054 0.375518 0.259194 Cl\n0.851054 0.624482 0.759194 Cl\n0.837914 0.875769 0.240940 Cl\n0.837914 0.124231 0.740940 Cl\n0.000000 0.749697 0.337432 Cl\n0.000000 0.781597 0.115921 Cl\n0.000000 0.969216 0.367207 Cl\n0.000000 0.002210 0.144509 Cl\n0.000000 0.997790 0.644509 Cl\n",
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"formula_full": "Ti4 P16 Cl96",
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"formula_anonymous": "AB4C24",
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{
"id": "mp-1193989",
"created_at": "2022-09-04T14:42:57.284235Z",
"structure_string": "Sr4 Tb8 S16\n1.0\n4.017905 0.000000 0.000000\n0.000000 12.110052 0.000000\n0.000000 0.000000 14.446118\nSr Tb S\n4 8 16\ndirect\n0.250000 0.760283 0.336101 Sr\n0.250000 0.260283 0.163899 Sr\n0.750000 0.239717 0.663899 Sr\n0.750000 0.739717 0.836101 Sr\n0.250000 0.435496 0.389762 Tb\n0.250000 0.935496 0.110238 Tb\n0.750000 0.564504 0.610238 Tb\n0.750000 0.064504 0.889762 Tb\n0.250000 0.416286 0.900252 Tb\n0.250000 0.916286 0.599748 Tb\n0.750000 0.583714 0.099748 Tb\n0.750000 0.083714 0.400252 Tb\n0.250000 0.204298 0.825481 S\n0.250000 0.704298 0.674519 S\n0.750000 0.795702 0.174519 S\n0.750000 0.295702 0.325481 S\n0.250000 0.129226 0.529386 S\n0.250000 0.629226 0.970614 S\n0.750000 0.870774 0.470614 S\n0.750000 0.370774 0.029386 S\n0.250000 0.026975 0.284314 S\n0.250000 0.526975 0.215686 S\n0.750000 0.973025 0.715686 S\n0.750000 0.473025 0.784314 S\n0.250000 0.412283 0.578030 S\n0.250000 0.912283 0.921970 S\n0.750000 0.587717 0.421970 S\n0.750000 0.087717 0.078030 S\n",
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{
"id": "mp-1212171",
"created_at": "2022-09-04T14:42:57.302643Z",
"structure_string": "Li12 Y4 N24 O72\n1.0\n7.656627 0.000000 0.000000\n0.000000 7.932749 0.000000\n0.000000 7.342446 24.367958\nLi Y N O\n12 4 24 72\ndirect\n0.183697 0.926542 0.365433 Li\n0.816303 0.073458 0.634567 Li\n0.683697 0.073458 0.134567 Li\n0.316303 0.926542 0.865433 Li\n0.441953 0.746255 0.254898 Li\n0.558047 0.253745 0.745102 Li\n0.941953 0.253745 0.245102 Li\n0.058047 0.746255 0.754898 Li\n0.710315 0.783566 0.474446 Li\n0.289685 0.216434 0.525554 Li\n0.210315 0.216434 0.025554 Li\n0.789685 0.783566 0.974446 Li\n0.694401 0.366573 0.390384 Y\n0.305599 0.633427 0.609616 Y\n0.194401 0.633427 0.109616 Y\n0.805599 0.366573 0.890384 Y\n0.201491 0.000074 0.264712 N\n0.798509 0.999926 0.735288 N\n0.701491 0.999926 0.235288 N\n0.298509 0.000074 0.764712 N\n0.697769 0.469123 0.270070 N\n0.302231 0.530877 0.729930 N\n0.197769 0.530877 0.229930 N\n0.802231 0.469123 0.770070 N\n0.506978 0.799903 0.054155 N\n0.493022 0.200097 0.945845 N\n0.006978 0.200097 0.445845 N\n0.993022 0.799903 0.554155 N\n0.872277 0.536533 0.063933 N\n0.127723 0.463467 0.936067 N\n0.372277 0.463467 0.436067 N\n0.627723 0.536533 0.563933 N\n0.885103 0.681615 0.393658 N\n0.114897 0.318385 0.606342 N\n0.385103 0.318385 0.106342 N\n0.614897 0.681615 0.893658 N\n0.993229 0.957144 0.097232 N\n0.006771 0.042856 0.902768 N\n0.493229 0.042856 0.402768 N\n0.506771 0.957144 0.597232 N\n0.602784 0.547130 0.297955 O\n0.397216 0.452870 0.702045 O\n0.102784 0.452870 0.202045 O\n0.897216 0.547130 0.797955 O\n0.475579 0.805730 0.102784 O\n0.524421 0.194270 0.897216 O\n0.975579 0.194270 0.397216 O\n0.024421 0.805730 0.602784 O\n0.393909 0.721779 0.032209 O\n0.606091 0.278221 0.967791 O\n0.893909 0.278221 0.467791 O\n0.106091 0.721779 0.532209 O\n0.699703 0.511556 0.219893 O\n0.300297 0.488444 0.780107 O\n0.199703 0.488444 0.280107 O\n0.800297 0.511556 0.719893 O\n0.737258 0.501545 0.042860 O\n0.262742 0.498455 0.957140 O\n0.237258 0.498455 0.457140 O\n0.762742 0.501545 0.542860 O\n0.952793 0.811943 0.132033 O\n0.047207 0.188057 0.867967 O\n0.452793 0.188057 0.367967 O\n0.547207 0.811943 0.632033 O\n0.641623 0.867181 0.029249 O\n0.358377 0.132819 0.970751 O\n0.141623 0.132819 0.470751 O\n0.858377 0.867181 0.529249 O\n0.703973 0.959472 0.286100 O\n0.296027 0.040528 0.713900 O\n0.203973 0.040528 0.213900 O\n0.796027 0.959472 0.786100 O\n0.363430 0.959705 0.570348 O\n0.636570 0.040295 0.429652 O\n0.863430 0.040295 0.929652 O\n0.136570 0.959705 0.070348 O\n0.966960 0.808842 0.400334 O\n0.033040 0.191158 0.599666 O\n0.466960 0.191158 0.099666 O\n0.533040 0.808842 0.900334 O\n0.976739 0.661260 0.035481 O\n0.023261 0.338740 0.964519 O\n0.476739 0.338740 0.464519 O\n0.523261 0.661260 0.535481 O\n0.919159 0.460491 0.112618 O\n0.080841 0.539509 0.887382 O\n0.419159 0.539509 0.387382 O\n0.580841 0.460491 0.612618 O\n0.791565 0.340958 0.299769 O\n0.208435 0.659042 0.700231 O\n0.291565 0.659042 0.200231 O\n0.708435 0.340958 0.799769 O\n0.401151 0.908930 0.411468 O\n0.598849 0.091070 0.588532 O\n0.901151 0.091070 0.088532 O\n0.098849 0.908930 0.911468 O\n0.934922 0.591196 0.362768 O\n0.065078 0.408804 0.637232 O\n0.434922 0.408804 0.137232 O\n0.565078 0.591196 0.862768 O\n0.739997 0.635107 0.419765 O\n0.260003 0.364893 0.580235 O\n0.239997 0.364893 0.080235 O\n0.760003 0.635107 0.919765 O\n0.608161 0.915646 0.209267 O\n0.391839 0.084354 0.790733 O\n0.108161 0.084354 0.290733 O\n0.891839 0.915646 0.709267 O\n0.291004 0.871802 0.294890 O\n0.708996 0.128198 0.705110 O\n0.791004 0.128198 0.205110 O\n0.208996 0.871802 0.794890 O\n",
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{
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"structure_string": "Ir1 O3\n1.0\n3.790923 0.000000 0.000000\n0.000000 3.790923 0.000000\n0.000000 0.000000 3.790923\nIr O\n1 3\ndirect\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n",
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{
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{
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