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{
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{
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{
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"structure_string": "K8 Fe8 P12 O48\n1.0\n10.037599 0.000000 0.000000\n0.000000 10.037599 0.000000\n0.000000 0.000000 10.037599\nK Fe P O\n8 8 12 48\ndirect\n0.043104 0.043104 0.043104 K\n0.456896 0.956896 0.543104 K\n0.956896 0.543104 0.456896 K\n0.543104 0.456896 0.956896 K\n0.817167 0.817167 0.817167 K\n0.682833 0.182833 0.317167 K\n0.182833 0.317167 0.682833 K\n0.317167 0.682833 0.182833 K\n0.335909 0.335909 0.335909 Fe\n0.164091 0.664091 0.835909 Fe\n0.664091 0.835909 0.164091 Fe\n0.835909 0.164091 0.664091 Fe\n0.603424 0.603424 0.603424 Fe\n0.896576 0.396576 0.103424 Fe\n0.396576 0.103424 0.896576 Fe\n0.103424 0.896576 0.396576 Fe\n0.020861 0.210879 0.375771 P\n0.479139 0.789121 0.875771 P\n0.979139 0.710879 0.124229 P\n0.375771 0.020861 0.210879 P\n0.520861 0.289121 0.624229 P\n0.875771 0.479139 0.789121 P\n0.124229 0.979139 0.710879 P\n0.624229 0.520861 0.289121 P\n0.210879 0.375771 0.020861 P\n0.710879 0.124229 0.979139 P\n0.289121 0.624229 0.520861 P\n0.789121 0.875771 0.479139 P\n0.012774 0.063900 0.327849 O\n0.487226 0.936100 0.827849 O\n0.987226 0.563900 0.172151 O\n0.327849 0.012774 0.063900 O\n0.512774 0.436100 0.672151 O\n0.827849 0.487226 0.936100 O\n0.172151 0.987226 0.563900 O\n0.672151 0.512774 0.436100 O\n0.063900 0.327849 0.012774 O\n0.563900 0.172151 0.987226 O\n0.436100 0.672151 0.512774 O\n0.936100 0.827849 0.487226 O\n0.167240 0.250376 0.400690 O\n0.332760 0.749624 0.900690 O\n0.832760 0.750376 0.099310 O\n0.400690 0.167240 0.250376 O\n0.667240 0.249624 0.599310 O\n0.900690 0.332760 0.749624 O\n0.099310 0.832760 0.750376 O\n0.599310 0.667240 0.249624 O\n0.250376 0.400690 0.167240 O\n0.750376 0.099310 0.832760 O\n0.249624 0.599310 0.667240 O\n0.749624 0.900690 0.332760 O\n0.046806 0.801976 0.227783 O\n0.453194 0.198024 0.727783 O\n0.953194 0.301976 0.272217 O\n0.227783 0.046806 0.801976 O\n0.546806 0.698024 0.772217 O\n0.727783 0.453194 0.198024 O\n0.272217 0.953194 0.301976 O\n0.772217 0.546806 0.698024 O\n0.801976 0.227783 0.046806 O\n0.301976 0.272217 0.953194 O\n0.698024 0.772217 0.546806 O\n0.198024 0.727783 0.453194 O\n0.268113 0.492478 0.443554 O\n0.231887 0.507522 0.943554 O\n0.731887 0.992478 0.056446 O\n0.443554 0.268113 0.492478 O\n0.768113 0.007522 0.556446 O\n0.943554 0.231887 0.507522 O\n0.056446 0.731887 0.992478 O\n0.556446 0.768113 0.007522 O\n0.492478 0.443554 0.268113 O\n0.992478 0.056446 0.731887 O\n0.007522 0.556446 0.768113 O\n0.507522 0.943554 0.231887 O\n",
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"formula_full": "K8 Fe8 P12 O48",
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{
"id": "mp-1201955",
"created_at": "2022-09-04T14:47:11.638165Z",
"structure_string": "Cu28 P4 Se24\n1.0\n10.072808 0.000000 0.000000\n0.000000 10.072808 0.000000\n0.000000 0.000000 10.072808\nCu P Se\n28 4 24\ndirect\n0.224880 0.927135 0.896942 Cu\n0.103058 0.724880 0.572865 Cu\n0.427135 0.603058 0.775120 Cu\n0.724880 0.572865 0.103058 Cu\n0.603058 0.775120 0.427135 Cu\n0.927135 0.896942 0.224880 Cu\n0.775120 0.427135 0.603058 Cu\n0.896942 0.224880 0.927135 Cu\n0.572865 0.103058 0.724880 Cu\n0.275120 0.072865 0.396942 Cu\n0.396942 0.275120 0.072865 Cu\n0.072865 0.396942 0.275120 Cu\n0.012275 0.778915 0.985615 Cu\n0.014385 0.512275 0.721085 Cu\n0.278915 0.514385 0.987725 Cu\n0.512275 0.721085 0.014385 Cu\n0.514385 0.987725 0.278915 Cu\n0.778915 0.985615 0.012275 Cu\n0.987725 0.278915 0.514385 Cu\n0.985615 0.012275 0.778915 Cu\n0.721085 0.014385 0.512275 Cu\n0.487725 0.221085 0.485615 Cu\n0.485615 0.487725 0.221085 Cu\n0.221085 0.485615 0.487725 Cu\n0.349402 0.849402 0.650598 Cu\n0.849402 0.650598 0.349402 Cu\n0.650598 0.349402 0.849402 Cu\n0.150598 0.150598 0.150598 Cu\n0.750053 0.250053 0.249947 P\n0.250053 0.249947 0.750053 P\n0.249947 0.750053 0.250053 P\n0.749947 0.749947 0.749947 P\n0.878419 0.378419 0.121581 Se\n0.378419 0.121581 0.878419 Se\n0.121581 0.878419 0.378419 Se\n0.621581 0.621581 0.621581 Se\n0.368304 0.879553 0.115884 Se\n0.884116 0.868304 0.620447 Se\n0.379553 0.384116 0.631696 Se\n0.868304 0.620447 0.884116 Se\n0.384116 0.631696 0.379553 Se\n0.879553 0.115884 0.368304 Se\n0.631696 0.379553 0.384116 Se\n0.115884 0.368304 0.879553 Se\n0.620447 0.884116 0.868304 Se\n0.131696 0.120447 0.615884 Se\n0.615884 0.131696 0.120447 Se\n0.120447 0.615884 0.131696 Se\n0.218577 0.718577 0.781423 Se\n0.718577 0.781423 0.218577 Se\n0.781423 0.218577 0.718577 Se\n0.281423 0.281423 0.281423 Se\n0.483241 0.983241 0.516759 Se\n0.983241 0.516759 0.483241 Se\n0.516759 0.483241 0.983241 Se\n0.016759 0.016759 0.016759 Se\n",
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{
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"structure_string": "Ba8 Zr8 Si12 O48\n1.0\n10.464865 0.000000 0.000000\n0.000000 10.464865 0.000000\n0.000000 0.000000 10.464865\nBa Zr Si O\n8 8 12 48\ndirect\n0.052005 0.052005 0.052005 Ba\n0.447995 0.947995 0.552005 Ba\n0.947995 0.552005 0.447995 Ba\n0.552005 0.447995 0.947995 Ba\n0.815644 0.815644 0.815644 Ba\n0.684356 0.184356 0.315644 Ba\n0.184356 0.315644 0.684356 Ba\n0.315644 0.684356 0.184356 Ba\n0.334871 0.334871 0.334871 Zr\n0.165129 0.665129 0.834871 Zr\n0.665129 0.834871 0.165129 Zr\n0.834871 0.165129 0.665129 Zr\n0.600675 0.600675 0.600675 Zr\n0.899325 0.399325 0.100675 Zr\n0.399325 0.100675 0.899325 Zr\n0.100675 0.899325 0.399325 Zr\n0.019886 0.214022 0.376020 Si\n0.480114 0.785978 0.876020 Si\n0.980114 0.714022 0.123980 Si\n0.376020 0.019886 0.214022 Si\n0.519886 0.285978 0.623980 Si\n0.876020 0.480114 0.785978 Si\n0.123980 0.980114 0.714022 Si\n0.623980 0.519886 0.285978 Si\n0.214022 0.376020 0.019886 Si\n0.714022 0.123980 0.980114 Si\n0.285978 0.623980 0.519886 Si\n0.785978 0.876020 0.480114 Si\n0.012754 0.066698 0.321289 O\n0.487246 0.933302 0.821289 O\n0.987246 0.566698 0.178711 O\n0.321289 0.012754 0.066698 O\n0.512754 0.433302 0.678711 O\n0.821289 0.487246 0.933302 O\n0.178711 0.987246 0.566698 O\n0.678711 0.512754 0.433302 O\n0.066698 0.321289 0.012754 O\n0.566698 0.178711 0.987246 O\n0.433302 0.678711 0.512754 O\n0.933302 0.821289 0.487246 O\n0.264779 0.493617 0.437008 O\n0.235221 0.506383 0.937008 O\n0.735221 0.993617 0.062992 O\n0.437008 0.264779 0.493617 O\n0.764779 0.006383 0.562992 O\n0.937008 0.235221 0.506383 O\n0.062992 0.735221 0.993617 O\n0.562992 0.764779 0.006383 O\n0.493617 0.437008 0.264779 O\n0.993617 0.062992 0.735221 O\n0.006383 0.562992 0.764779 O\n0.506383 0.937008 0.235221 O\n0.051119 0.808337 0.228357 O\n0.448881 0.191663 0.728357 O\n0.948881 0.308337 0.271643 O\n0.228357 0.051119 0.808337 O\n0.551119 0.691663 0.771643 O\n0.728357 0.448881 0.191663 O\n0.271643 0.948881 0.308337 O\n0.771643 0.551119 0.691663 O\n0.808337 0.228357 0.051119 O\n0.308337 0.271643 0.948881 O\n0.691663 0.771643 0.551119 O\n0.191663 0.728357 0.448881 O\n0.166031 0.256591 0.406968 O\n0.333969 0.743409 0.906968 O\n0.833969 0.756591 0.093032 O\n0.406968 0.166031 0.256591 O\n0.666031 0.243409 0.593032 O\n0.906968 0.333969 0.743409 O\n0.093032 0.833969 0.756591 O\n0.593032 0.666031 0.243409 O\n0.256591 0.406968 0.166031 O\n0.756591 0.093032 0.833969 O\n0.243409 0.593032 0.666031 O\n0.743409 0.906968 0.333969 O\n",
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