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{
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{
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"structure_string": "Ba2 Tl2 Zn3 Sn4 O12\n1.0\n-1.968918 1.968918 25.555967\n1.968918 -1.968918 25.555967\n1.968918 1.968918 -25.555967\nBa Tl Zn Sn O\n2 2 3 4 12\ndirect\n0.170701 0.170701 0.000000 Ba\n0.829299 0.829299 0.000000 Ba\n0.727559 0.727559 0.000000 Tl\n0.272441 0.272441 0.000000 Tl\n0.073294 0.073294 0.000000 Zn\n0.926706 0.926706 0.000000 Zn\n0.000000 0.000000 0.000000 Zn\n0.541109 0.541109 0.000000 Sn\n0.380292 0.380292 0.000000 Sn\n0.619708 0.619708 0.000000 Sn\n0.458891 0.458891 0.000000 Sn\n0.865893 0.365893 0.500000 O\n0.062974 0.562974 0.500000 O\n0.232016 0.232016 0.000000 O\n0.437026 0.937026 0.500000 O\n0.767984 0.767984 0.000000 O\n0.634107 0.134107 0.500000 O\n0.134107 0.634107 0.500000 O\n0.311964 0.311964 0.000000 O\n0.365893 0.865893 0.500000 O\n0.562974 0.062974 0.500000 O\n0.937026 0.437026 0.500000 O\n0.688036 0.688036 0.000000 O\n",
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"formula_full": "Ba2 Tl2 Zn3 Sn4 O12",
"formula_reduced": "Ba2Tl2Zn3(SnO3)4",
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{
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{
"id": "mp-1359404",
"created_at": "2022-09-04T14:46:34.993941Z",
"structure_string": "Co12 O24\n1.0\n2.836573 -4.913089 0.000000\n2.836573 4.913089 0.000000\n0.000000 0.000000 13.924547\nCo O\n12 24\ndirect\n0.828153 0.656306 0.167544 Co\n0.666740 0.833370 0.499416 Co\n0.000000 0.000000 0.331935 Co\n0.828153 0.171847 0.167544 Co\n0.166630 0.333260 0.499416 Co\n0.343694 0.171847 0.167544 Co\n0.333333 0.666667 0.664252 Co\n0.166630 0.833370 0.499416 Co\n0.498012 0.996024 0.832188 Co\n0.498012 0.501988 0.832188 Co\n0.003976 0.501988 0.832188 Co\n0.000000 0.000000 0.956602 Co\n0.511557 0.023114 0.102896 O\n0.511557 0.488443 0.102896 O\n0.666667 0.333333 0.238473 O\n0.976886 0.488443 0.102896 O\n0.852615 0.705230 0.421511 O\n0.711744 0.855872 0.245996 O\n0.000000 0.000000 0.092028 O\n0.144128 0.855872 0.245996 O\n0.852615 0.147385 0.421511 O\n0.000000 0.000000 0.569401 O\n0.294770 0.147385 0.421511 O\n0.144128 0.288256 0.245996 O\n0.184894 0.369788 0.753554 O\n0.037937 0.518969 0.579086 O\n0.333333 0.666667 0.429504 O\n0.481031 0.518969 0.579086 O\n0.333333 0.666667 0.900798 O\n0.184894 0.815106 0.753554 O\n0.630212 0.815106 0.753554 O\n0.481031 0.962063 0.579086 O\n0.344513 0.172256 0.901012 O\n0.827744 0.172256 0.901012 O\n0.666667 0.333333 0.763613 O\n0.827744 0.655487 0.901012 O\n",
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{
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"structure_string": "Mg6 Sn6 As8 O32\n1.0\n5.547634 0.000000 0.000000\n0.000000 9.184924 0.000000\n0.000000 9.089319 15.315955\nMg Sn As O\n6 6 8 32\ndirect\n0.565670 0.324946 0.221331 Mg\n0.065670 0.675054 0.278669 Mg\n0.434330 0.675054 0.778669 Mg\n0.934330 0.324946 0.721331 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.541119 0.169875 0.635275 Sn\n0.458881 0.830125 0.364725 Sn\n0.041119 0.830125 0.864725 Sn\n0.958881 0.169875 0.135275 Sn\n0.000000 0.500000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.993994 0.017841 0.366825 As\n0.540233 0.436302 0.379814 As\n0.040233 0.563698 0.120186 As\n0.959767 0.436302 0.879814 As\n0.006006 0.982159 0.633175 As\n0.459767 0.563698 0.620186 As\n0.506006 0.017841 0.866825 As\n0.493994 0.982159 0.133175 As\n0.342723 0.851406 0.230776 O\n0.062393 0.749742 0.022438 O\n0.473916 0.423255 0.291348 O\n0.552018 0.176091 0.129928 O\n0.526084 0.576745 0.708652 O\n0.157277 0.851406 0.730776 O\n0.973916 0.576745 0.208652 O\n0.708919 0.559595 0.866695 O\n0.687316 0.992593 0.947340 O\n0.657277 0.148594 0.769224 O\n0.947982 0.176091 0.629928 O\n0.291081 0.440405 0.133305 O\n0.303194 0.555377 0.388611 O\n0.312684 0.007407 0.052660 O\n0.707463 0.924152 0.633340 O\n0.207463 0.075848 0.866660 O\n0.803194 0.444623 0.111389 O\n0.026084 0.423255 0.791348 O\n0.187316 0.007407 0.552660 O\n0.208919 0.440405 0.633305 O\n0.792537 0.924152 0.133340 O\n0.292537 0.075848 0.366660 O\n0.937607 0.250258 0.977562 O\n0.562393 0.250258 0.477562 O\n0.696806 0.444623 0.611389 O\n0.842723 0.148594 0.269224 O\n0.447982 0.823909 0.870072 O\n0.812684 0.992593 0.447340 O\n0.437607 0.749742 0.522438 O\n0.791081 0.559595 0.366695 O\n0.196806 0.555377 0.888611 O\n0.052018 0.823909 0.370072 O\n",
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{
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{
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