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{
"id": "mp-1019570",
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"structure_string": "Ca32 Si20 O72\n1.0\n5.138650 0.000000 0.000000\n0.000000 11.521755 0.000000\n0.000000 0.000000 28.940549\nCa Si O\n32 20 72\ndirect\n0.497613 0.282958 0.942188 Ca\n0.002387 0.217042 0.442188 Ca\n0.997613 0.217042 0.057812 Ca\n0.502387 0.282958 0.557812 Ca\n0.502387 0.717042 0.057812 Ca\n0.997613 0.782958 0.557812 Ca\n0.002387 0.782958 0.942188 Ca\n0.497613 0.717042 0.442188 Ca\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.000000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.994223 0.510422 0.877834 Ca\n0.505777 0.989578 0.377834 Ca\n0.494223 0.989578 0.122166 Ca\n0.005777 0.510422 0.622166 Ca\n0.005777 0.489578 0.122166 Ca\n0.494223 0.010422 0.622166 Ca\n0.505777 0.010422 0.877834 Ca\n0.994223 0.489578 0.377834 Ca\n0.506872 0.715304 0.830578 Ca\n0.993128 0.784696 0.330578 Ca\n0.006872 0.784696 0.169422 Ca\n0.493128 0.715304 0.669422 Ca\n0.493128 0.284696 0.169422 Ca\n0.006872 0.215304 0.669422 Ca\n0.993128 0.215304 0.830578 Ca\n0.506872 0.284696 0.330578 Ca\n0.000000 0.485690 0.750000 Ca\n0.500000 0.014310 0.250000 Ca\n0.000000 0.514310 0.250000 Ca\n0.500000 0.985690 0.750000 Ca\n0.572235 0.595150 0.942313 Si\n0.927765 0.904850 0.442313 Si\n0.072235 0.904850 0.057687 Si\n0.427765 0.595150 0.557687 Si\n0.427765 0.404850 0.057687 Si\n0.072235 0.095150 0.557687 Si\n0.927765 0.095150 0.942313 Si\n0.572235 0.404850 0.442313 Si\n0.440367 0.405348 0.827101 Si\n0.059633 0.094652 0.327101 Si\n0.940367 0.094652 0.172899 Si\n0.559633 0.405348 0.672899 Si\n0.559633 0.594652 0.172899 Si\n0.940367 0.905348 0.672899 Si\n0.059633 0.905348 0.827101 Si\n0.440367 0.594652 0.327101 Si\n0.500000 0.237859 0.750000 Si\n0.000000 0.262141 0.250000 Si\n0.500000 0.762141 0.250000 Si\n0.000000 0.737859 0.750000 Si\n0.705525 0.462910 0.940214 O\n0.794475 0.037090 0.440214 O\n0.205525 0.037090 0.059786 O\n0.294475 0.462910 0.559786 O\n0.294475 0.537090 0.059786 O\n0.205525 0.962910 0.559786 O\n0.794475 0.962910 0.940214 O\n0.705525 0.537090 0.440214 O\n0.704435 0.663956 0.897687 O\n0.795565 0.836044 0.397687 O\n0.204435 0.836044 0.102313 O\n0.295565 0.663956 0.602313 O\n0.295565 0.336044 0.102313 O\n0.204435 0.163956 0.602313 O\n0.795565 0.163956 0.897687 O\n0.704435 0.336044 0.397687 O\n0.701630 0.658384 0.988505 O\n0.798370 0.841616 0.488505 O\n0.201630 0.841616 0.011495 O\n0.298370 0.658384 0.511495 O\n0.298370 0.341616 0.011495 O\n0.201630 0.158384 0.511495 O\n0.798370 0.158384 0.988505 O\n0.701630 0.341616 0.488505 O\n0.252488 0.594742 0.940742 O\n0.247512 0.905258 0.440742 O\n0.752488 0.905258 0.059258 O\n0.747512 0.594742 0.559258 O\n0.747512 0.405258 0.059258 O\n0.752488 0.094742 0.559258 O\n0.247512 0.094742 0.940742 O\n0.252488 0.405258 0.440742 O\n0.299867 0.343299 0.871817 O\n0.200133 0.156701 0.371817 O\n0.799867 0.156701 0.128183 O\n0.700133 0.343299 0.628183 O\n0.700133 0.656701 0.128183 O\n0.799867 0.843299 0.628183 O\n0.200133 0.843299 0.871817 O\n0.299867 0.656701 0.371817 O\n0.307947 0.533216 0.820341 O\n0.192053 0.966784 0.320341 O\n0.807947 0.966784 0.179659 O\n0.692053 0.533216 0.679659 O\n0.692053 0.466784 0.179659 O\n0.807947 0.033216 0.679659 O\n0.192053 0.033216 0.820341 O\n0.307947 0.466784 0.320341 O\n0.310877 0.327778 0.781387 O\n0.189123 0.172222 0.281387 O\n0.810877 0.172222 0.218613 O\n0.689123 0.327778 0.718613 O\n0.689123 0.672222 0.218613 O\n0.810877 0.827778 0.718613 O\n0.189123 0.827778 0.781387 O\n0.310877 0.672222 0.281387 O\n0.756337 0.400806 0.823705 O\n0.743663 0.099194 0.323705 O\n0.256337 0.099194 0.176295 O\n0.243663 0.400806 0.676295 O\n0.243663 0.599194 0.176295 O\n0.256337 0.900806 0.676295 O\n0.743663 0.900806 0.823705 O\n0.756337 0.599194 0.323705 O\n0.676700 0.156512 0.782552 O\n0.823300 0.343488 0.282552 O\n0.176700 0.343488 0.217448 O\n0.323300 0.156512 0.717448 O\n0.323300 0.843488 0.217448 O\n0.176700 0.656512 0.717448 O\n0.823300 0.656512 0.782552 O\n0.676700 0.843488 0.282552 O\n",
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{
"id": "mp-773171",
"created_at": "2022-09-04T14:39:58.881473Z",
"structure_string": "Ti3 Mn3 P6 O24\n1.0\n7.512722 -4.348417 0.000000\n7.512722 4.348417 0.000000\n4.995827 0.000000 7.098692\nTi Mn P O\n3 3 6 24\ndirect\n0.646287 0.646287 0.646287 Ti\n0.855396 0.855396 0.855396 Ti\n0.352598 0.352598 0.352598 Ti\n0.002999 0.002999 0.002999 Mn\n0.145786 0.145786 0.145786 Mn\n0.500782 0.500782 0.500782 Mn\n0.547646 0.952197 0.248077 P\n0.248077 0.547646 0.952197 P\n0.952197 0.248077 0.547646 P\n0.043957 0.745006 0.459389 P\n0.745006 0.459389 0.043957 P\n0.459389 0.043957 0.745006 P\n0.305632 0.498719 0.121453 O\n0.121453 0.305632 0.498719 O\n0.498719 0.121453 0.305632 O\n0.742796 0.938993 0.086794 O\n0.396621 0.977960 0.192349 O\n0.573362 0.760965 0.414420 O\n0.086794 0.742796 0.938993 O\n0.414420 0.573362 0.760965 O\n0.998582 0.808057 0.621901 O\n0.760965 0.414420 0.573362 O\n0.050419 0.901436 0.269353 O\n0.808057 0.621901 0.998582 O\n0.192349 0.396621 0.977960 O\n0.938993 0.086794 0.742796 O\n0.236034 0.580196 0.449052 O\n0.977960 0.192349 0.396621 O\n0.580196 0.449052 0.236034 O\n0.901436 0.269353 0.050419 O\n0.449052 0.236034 0.580196 O\n0.621901 0.998582 0.808057 O\n0.269353 0.050419 0.901436 O\n0.516522 0.886254 0.671999 O\n0.886254 0.671999 0.516522 O\n0.671999 0.516522 0.886254 O\n",
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{
"id": "mp-635413",
"created_at": "2022-09-04T14:39:59.070920Z",
"structure_string": "Cs3 Bi1\n1.0\n0.000000 4.767996 4.767996\n4.767996 0.000000 4.767996\n4.767996 4.767996 0.000000\nCs Bi\n3 1\ndirect\n0.250000 0.250000 0.250000 Cs\n0.750000 0.750000 0.750000 Cs\n0.500000 0.500000 0.500000 Cs\n0.000000 0.000000 0.000000 Bi\n",
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{
"id": "mp-863438",
"created_at": "2022-09-04T14:39:58.884478Z",
"structure_string": "Ta4 Co8 O18\n1.0\n2.603965 -4.510200 0.000000\n2.603965 4.510200 0.000000\n0.000000 0.000000 14.314736\nTa Co O\n4 8 18\ndirect\n0.000000 0.000000 0.643287 Ta\n0.000000 0.000000 0.856713 Ta\n0.000000 0.000000 0.143287 Ta\n0.000000 0.000000 0.356713 Ta\n0.333333 0.666667 0.514615 Co\n0.333333 0.666667 0.808344 Co\n0.333333 0.666667 0.308344 Co\n0.333333 0.666667 0.014615 Co\n0.666667 0.333333 0.691656 Co\n0.666667 0.333333 0.191656 Co\n0.666667 0.333333 0.485385 Co\n0.666667 0.333333 0.985385 Co\n0.000000 0.712293 0.250000 O\n0.021642 0.679997 0.915531 O\n0.320003 0.978358 0.415531 O\n0.000000 0.287707 0.750000 O\n0.021642 0.341645 0.415531 O\n0.320003 0.341645 0.915531 O\n0.287707 0.287707 0.250000 O\n0.341645 0.320003 0.584469 O\n0.658355 0.978358 0.915531 O\n0.287707 0.000000 0.750000 O\n0.341645 0.021642 0.084469 O\n0.658355 0.679997 0.415531 O\n0.712293 0.712293 0.750000 O\n0.679997 0.658355 0.084469 O\n0.978358 0.658355 0.584469 O\n0.679997 0.021642 0.584469 O\n0.712293 0.000000 0.250000 O\n0.978358 0.320003 0.084469 O\n",
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{
"id": "mp-1113020",
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"structure_string": "Cs2 Li1 Ce1 Cl6\n1.0\n0.000000 5.402787 5.402787\n5.402787 0.000000 5.402787\n5.402787 5.402787 0.000000\nCs Li Ce Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Ce\n0.745036 0.254964 0.254964 Cl\n0.254964 0.254964 0.745036 Cl\n0.254964 0.745036 0.745036 Cl\n0.254964 0.745036 0.254964 Cl\n0.745036 0.254964 0.745036 Cl\n0.745036 0.745036 0.254964 Cl\n",
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{
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"structure_string": "Mn6 Ga6 N10\n1.0\n5.909501 0.793226 -0.457069\n0.163544 6.106186 0.577468\n-2.885088 -2.062464 7.378093\nMn Ga N\n6 6 10\ndirect\n0.862095 0.377205 0.700828 Mn\n0.137905 0.622795 0.299172 Mn\n0.686233 0.712817 0.923585 Mn\n0.313767 0.287183 0.076415 Mn\n0.673698 0.516714 0.281381 Mn\n0.326302 0.483286 0.718619 Mn\n0.871741 0.198744 0.015009 Ga\n0.128259 0.801256 0.984991 Ga\n0.658670 0.839466 0.636110 Ga\n0.341330 0.160534 0.363890 Ga\n0.189008 0.996994 0.676780 Ga\n0.810992 0.003006 0.323220 Ga\n0.212440 0.292592 0.811222 N\n0.787560 0.707408 0.188778 N\n0.764753 0.552694 0.519830 N\n0.235247 0.447306 0.480170 N\n0.667045 0.404711 0.827341 N\n0.332955 0.595289 0.172659 N\n0.219612 0.929879 0.443049 N\n0.780388 0.070121 0.556951 N\n0.316642 0.775309 0.838597 N\n0.683358 0.224691 0.161403 N\n",
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{
"id": "mp-1257684",
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"structure_string": "Al4 Cu6 Se12\n1.0\n-2.739814 2.739814 16.838093\n2.739814 -2.739814 16.838093\n2.739814 2.739814 -16.838093\nAl Cu Se\n4 6 12\ndirect\n0.919100 0.419100 0.500000 Al\n0.580900 0.080900 0.500000 Al\n0.169100 0.169100 0.000000 Al\n0.830900 0.830900 0.000000 Al\n0.750000 0.250000 0.500000 Cu\n0.418579 0.918579 0.500000 Cu\n0.081421 0.581421 0.500000 Cu\n0.668579 0.668579 0.000000 Cu\n0.331421 0.331421 0.000000 Cu\n0.000000 0.000000 0.000000 Cu\n0.965328 0.469039 0.014556 Se\n0.618655 0.125000 0.993655 Se\n0.295516 0.780961 0.996289 Se\n0.530961 0.545516 0.496289 Se\n0.219039 0.215328 0.514556 Se\n0.875000 0.868655 0.493655 Se\n0.049228 0.034672 0.503711 Se\n0.700772 0.704484 0.485444 Se\n0.375000 0.381345 0.506345 Se\n0.454484 0.950772 0.985444 Se\n0.131345 0.625000 0.006345 Se\n0.784672 0.299228 0.003711 Se\n",
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{
"id": "mp-754271",
"created_at": "2022-09-04T14:39:58.915345Z",
"structure_string": "Mn6 O4 F8\n1.0\n4.795100 0.000001 0.053929\n0.000001 4.683570 0.000006\n0.109087 0.000012 9.727365\nMn O F\n6 4 8\ndirect\n0.965290 0.977246 0.008165 Mn\n0.999978 0.999957 0.333327 Mn\n0.034775 0.022792 0.658485 Mn\n0.499987 0.499991 0.833327 Mn\n0.534713 0.477153 0.158509 Mn\n0.465300 0.522791 0.508165 Mn\n0.193408 0.828541 0.499989 O\n0.306587 0.328548 0.666680 O\n0.693407 0.671463 0.999991 O\n0.806585 0.171466 0.166678 O\n0.217970 0.771397 0.170230 F\n0.185184 0.805813 0.845557 F\n0.282023 0.271404 0.996438 F\n0.314805 0.305806 0.321115 F\n0.685181 0.694197 0.345558 F\n0.717975 0.728618 0.670229 F\n0.782021 0.228610 0.496439 F\n0.814810 0.194206 0.821113 F\n",
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