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{
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{
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{
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"structure_string": "Ge12 Pb12 O36\n1.0\n7.356331 0.000000 0.000000\n0.000000 11.688489 0.000000\n0.000000 6.559368 11.915843\nGe Pb O\n12 12 36\ndirect\n0.405978 0.858305 0.113323 Ge\n0.594022 0.141695 0.886677 Ge\n0.405978 0.141695 0.386677 Ge\n0.825378 0.249105 0.037824 Ge\n0.877648 0.458368 0.653287 Ge\n0.174622 0.249105 0.537824 Ge\n0.122352 0.541632 0.346713 Ge\n0.174622 0.750895 0.962176 Ge\n0.594022 0.858305 0.613323 Ge\n0.877648 0.541632 0.846713 Ge\n0.825378 0.750895 0.462176 Ge\n0.122352 0.458368 0.153287 Ge\n0.386175 0.572416 0.844187 Pb\n0.696478 0.196948 0.599875 Pb\n0.303522 0.803052 0.400125 Pb\n0.613825 0.572416 0.344187 Pb\n0.613825 0.427584 0.155813 Pb\n0.951456 0.872651 0.177628 Pb\n0.048544 0.127349 0.822372 Pb\n0.696478 0.803052 0.900125 Pb\n0.386175 0.427584 0.655813 Pb\n0.951456 0.127349 0.322372 Pb\n0.048544 0.872651 0.677628 Pb\n0.303522 0.196948 0.099875 Pb\n0.281717 0.098256 0.297430 O\n0.935925 0.645833 0.287990 O\n0.281717 0.901744 0.202570 O\n0.788726 0.818472 0.554472 O\n0.700421 0.393595 0.607825 O\n0.700421 0.606405 0.892175 O\n0.378631 0.719818 0.913091 O\n0.299579 0.393595 0.107825 O\n0.583507 0.747651 0.167603 O\n0.621369 0.280182 0.086909 O\n0.583507 0.252349 0.332397 O\n0.967148 0.136026 0.145708 O\n0.032852 0.863974 0.854292 O\n0.788726 0.181528 0.945528 O\n0.962854 0.608857 0.540159 O\n0.416493 0.747651 0.667603 O\n0.299579 0.606405 0.392175 O\n0.378631 0.280182 0.586909 O\n0.211274 0.818472 0.054472 O\n0.211274 0.181528 0.445528 O\n0.766235 0.500000 0.750000 O\n0.962854 0.391143 0.959841 O\n0.032852 0.136026 0.645708 O\n0.935925 0.354167 0.212010 O\n0.718283 0.098256 0.797430 O\n0.500000 0.000000 0.500000 O\n0.233765 0.500000 0.250000 O\n0.967148 0.863974 0.354292 O\n0.416493 0.252349 0.832397 O\n0.064075 0.645833 0.787990 O\n0.621369 0.719818 0.413091 O\n0.037146 0.608857 0.040159 O\n0.037146 0.391143 0.459841 O\n0.500000 0.000000 0.000000 O\n0.064075 0.354167 0.712010 O\n0.718283 0.901744 0.702570 O\n",
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"spacegroup": 13
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{
"id": "mp-5707",
"created_at": "2022-09-04T14:43:54.565481Z",
"structure_string": "Cs2 As2 F8\n1.0\n4.908117 0.000000 0.000000\n0.000000 6.765468 0.000000\n0.000000 3.366127 8.093193\nCs As F\n2 2 8\ndirect\n0.304769 0.686802 0.216281 Cs\n0.804769 0.313198 0.783719 Cs\n0.810122 0.154481 0.308410 As\n0.310122 0.845519 0.691590 As\n0.799736 0.989878 0.167356 F\n0.299736 0.010122 0.832644 F\n0.441973 0.162980 0.293536 F\n0.941973 0.837020 0.706464 F\n0.279813 0.641236 0.585869 F\n0.779813 0.358764 0.414131 F\n0.366387 0.614416 0.878476 F\n0.866387 0.385584 0.121524 F\n",
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"volume": 268.74020762263854,
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"formula_full": "Cs2 As2 F8",
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{
"id": "mp-1197443",
"created_at": "2022-09-04T14:43:54.713527Z",
"structure_string": "Fe8 As8 Pb4 O40\n1.0\n3.920848 -8.462731 0.000000\n3.920848 8.462731 0.000000\n0.000000 0.000000 11.963078\nFe As Pb O\n8 8 4 40\ndirect\n0.493343 0.243283 0.369553 Fe\n0.506657 0.756717 0.369553 Fe\n0.243283 0.493343 0.130447 Fe\n0.756717 0.506657 0.130447 Fe\n0.506657 0.756717 0.630447 Fe\n0.493343 0.243283 0.630447 Fe\n0.756717 0.506657 0.869553 Fe\n0.243283 0.493343 0.869553 Fe\n0.227895 0.308375 0.500000 As\n0.772105 0.691624 0.500000 As\n0.308375 0.227895 0.000000 As\n0.691624 0.772105 0.000000 As\n0.788319 0.211681 0.250000 As\n0.211681 0.788319 0.250000 As\n0.211681 0.788319 0.750000 As\n0.788319 0.211681 0.750000 As\n0.000000 0.000000 0.250000 Pb\n0.000000 0.000000 0.750000 Pb\n0.000000 0.500000 0.500000 Pb\n0.500000 0.000000 0.000000 Pb\n0.730368 0.769317 0.382706 O\n0.269632 0.230683 0.382706 O\n0.769317 0.730368 0.117294 O\n0.230683 0.269632 0.117294 O\n0.269632 0.230683 0.617294 O\n0.730368 0.769317 0.617294 O\n0.230683 0.269632 0.882706 O\n0.769317 0.730368 0.882706 O\n0.445741 0.620245 0.000000 O\n0.554259 0.379755 0.000000 O\n0.620245 0.445741 0.500000 O\n0.379755 0.554259 0.500000 O\n0.005275 0.227775 0.500000 O\n0.994725 0.772225 0.500000 O\n0.227775 0.005275 0.000000 O\n0.772225 0.994725 0.000000 O\n0.670671 0.975217 0.256730 O\n0.329329 0.024783 0.256730 O\n0.975217 0.670671 0.243270 O\n0.024783 0.329329 0.243270 O\n0.329329 0.024783 0.743270 O\n0.670671 0.975217 0.743270 O\n0.024783 0.329329 0.756730 O\n0.975217 0.670671 0.756730 O\n0.734110 0.281473 0.365354 O\n0.265890 0.718527 0.365354 O\n0.281473 0.734110 0.134646 O\n0.718527 0.265890 0.134646 O\n0.265890 0.718527 0.634646 O\n0.734110 0.281473 0.634646 O\n0.718527 0.265890 0.865354 O\n0.281473 0.734110 0.865354 O\n0.579849 0.901291 0.500000 O\n0.420151 0.098709 0.500000 O\n0.901291 0.579849 0.000000 O\n0.098709 0.420151 0.000000 O\n0.587146 0.412854 0.250000 O\n0.412854 0.587146 0.250000 O\n0.412854 0.587146 0.750000 O\n0.587146 0.412854 0.750000 O\n",
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{
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"structure_string": "Ba8 Mn4 As8 O32\n1.0\n9.340741 0.000000 0.000000\n0.000000 5.609423 0.000000\n0.000000 5.481139 16.905091\nBa Mn As O\n8 4 8 32\ndirect\n0.336605 0.523753 0.731206 Ba\n0.697813 0.689675 0.520648 Ba\n0.163395 0.523753 0.231206 Ba\n0.836605 0.476247 0.768794 Ba\n0.663395 0.476247 0.268794 Ba\n0.197813 0.310325 0.979352 Ba\n0.302187 0.310325 0.479352 Ba\n0.802187 0.689675 0.020648 Ba\n0.979847 0.094258 0.636645 Mn\n0.020153 0.905742 0.363355 Mn\n0.479847 0.905742 0.863355 Mn\n0.520153 0.094258 0.136645 Mn\n0.395844 0.915497 0.336110 As\n0.895844 0.084503 0.163890 As\n0.095469 0.678348 0.575716 As\n0.404531 0.678348 0.075716 As\n0.595469 0.321652 0.924284 As\n0.904531 0.321652 0.424284 As\n0.604156 0.084503 0.663890 As\n0.104156 0.915497 0.836110 As\n0.711719 0.117454 0.900526 O\n0.969130 0.266706 0.076132 O\n0.469130 0.733294 0.423868 O\n0.494365 0.876844 0.258323 O\n0.607011 0.297435 0.022249 O\n0.070488 0.255108 0.391743 O\n0.107011 0.702565 0.477751 O\n0.929512 0.744892 0.608257 O\n0.892989 0.297435 0.522249 O\n0.273002 0.798470 0.827391 O\n0.644350 0.624249 0.869944 O\n0.108366 0.227476 0.832179 O\n0.608366 0.772524 0.667821 O\n0.211719 0.882546 0.599474 O\n0.005635 0.876844 0.758323 O\n0.144350 0.375751 0.630056 O\n0.030870 0.733294 0.923868 O\n0.891634 0.772524 0.167821 O\n0.773002 0.201530 0.672609 O\n0.726998 0.201530 0.172609 O\n0.788281 0.117454 0.400526 O\n0.505635 0.123156 0.741677 O\n0.392989 0.702565 0.977751 O\n0.855650 0.624249 0.369944 O\n0.226998 0.798470 0.327391 O\n0.994365 0.123156 0.241677 O\n0.530870 0.266706 0.576132 O\n0.570488 0.744892 0.108257 O\n0.391634 0.227476 0.332179 O\n0.288281 0.882546 0.099474 O\n0.429512 0.255108 0.891743 O\n0.355650 0.375751 0.130056 O\n",
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"formula_full": "Ba8 Mn4 As8 O32",
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{
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{
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}