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{
"id": "mp-705372",
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"structure_string": "Li4 Co4 P20 O60\n1.0\n13.648114 0.000000 0.000000\n0.000000 9.005251 0.000000\n0.000000 1.916274 10.104900\nLi Co P O\n4 4 20 60\ndirect\n0.105225 0.908013 0.277598 Li\n0.605225 0.091987 0.222402 Li\n0.894775 0.091987 0.722402 Li\n0.394775 0.908013 0.777598 Li\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.857888 0.521377 0.748139 P\n0.750788 0.003630 0.978565 P\n0.250788 0.996370 0.521435 P\n0.142112 0.478623 0.251861 P\n0.427179 0.192570 0.414388 P\n0.357888 0.478623 0.751861 P\n0.417366 0.187065 0.925896 P\n0.917366 0.812935 0.574104 P\n0.860117 0.520959 0.250187 P\n0.360117 0.479041 0.249813 P\n0.072821 0.192570 0.914388 P\n0.139883 0.479041 0.749813 P\n0.582634 0.812935 0.074104 P\n0.572821 0.807430 0.585612 P\n0.927179 0.807430 0.085612 P\n0.249212 0.996370 0.021435 P\n0.639883 0.520959 0.750187 P\n0.749212 0.003630 0.478565 P\n0.642112 0.521377 0.248139 P\n0.082634 0.187065 0.425896 P\n0.357461 0.301282 0.309869 O\n0.263061 0.887300 0.651286 O\n0.876352 0.500811 0.398174 O\n0.575799 0.434842 0.170440 O\n0.458552 0.067887 0.859146 O\n0.018456 0.290603 0.997238 O\n0.166590 0.120084 0.533319 O\n0.485532 0.280685 0.994380 O\n0.985532 0.719315 0.505620 O\n0.857461 0.698718 0.190131 O\n0.248383 0.532782 0.775678 O\n0.346467 0.103996 0.510784 O\n0.642539 0.698718 0.690131 O\n0.541448 0.932113 0.140854 O\n0.833410 0.879916 0.466681 O\n0.353341 0.303039 0.817702 O\n0.988898 0.904400 0.154326 O\n0.511102 0.904400 0.654326 O\n0.376352 0.499189 0.101826 O\n0.748383 0.467218 0.724322 O\n0.924201 0.434842 0.670440 O\n0.126790 0.498050 0.104589 O\n0.011102 0.095600 0.845674 O\n0.251617 0.532782 0.275678 O\n0.765745 0.074950 0.598538 O\n0.234255 0.925050 0.401462 O\n0.481544 0.290603 0.497238 O\n0.734255 0.074950 0.098538 O\n0.981544 0.709397 0.002762 O\n0.646659 0.696961 0.182298 O\n0.846467 0.896004 0.989216 O\n0.236939 0.887300 0.151286 O\n0.373210 0.498050 0.604589 O\n0.853341 0.696961 0.682298 O\n0.153533 0.103996 0.010784 O\n0.075799 0.565158 0.329560 O\n0.488898 0.095600 0.345674 O\n0.514468 0.719315 0.005620 O\n0.626790 0.501950 0.395411 O\n0.142539 0.301282 0.809869 O\n0.424201 0.565158 0.829560 O\n0.958552 0.932113 0.640854 O\n0.927959 0.440293 0.171857 O\n0.873210 0.501950 0.895411 O\n0.123648 0.499189 0.601826 O\n0.333410 0.120084 0.033319 O\n0.072041 0.559707 0.828143 O\n0.736939 0.112700 0.348714 O\n0.265745 0.925050 0.901462 O\n0.623648 0.500811 0.898174 O\n0.763061 0.112700 0.848714 O\n0.041448 0.067887 0.359146 O\n0.427959 0.559707 0.328143 O\n0.751617 0.467218 0.224322 O\n0.014468 0.280685 0.494380 O\n0.666590 0.879916 0.966681 O\n0.518456 0.709397 0.502762 O\n0.572041 0.440293 0.671857 O\n0.146659 0.303039 0.317702 O\n0.653533 0.896004 0.489216 O\n",
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"spacegroup": 14
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{
"id": "mp-532424",
"created_at": "2022-09-04T14:47:35.183802Z",
"structure_string": "K2 Al22 O34\n1.0\n2.830392 4.889157 0.000000\n-2.830392 4.889157 0.000000\n0.000000 3.164189 22.991612\nK Al O\n2 22 34\ndirect\n0.914328 0.914328 0.255606 K\n0.335601 0.335601 0.752047 K\n0.999326 0.999326 0.000042 Al\n0.801677 0.296019 0.606560 Al\n0.500492 0.500492 0.500245 Al\n0.796247 0.301529 0.105728 Al\n0.796208 0.796208 0.105805 Al\n0.301529 0.796247 0.105728 Al\n0.674848 0.674848 0.975084 Al\n0.722837 0.722837 0.824949 Al\n0.774089 0.774089 0.674973 Al\n0.296019 0.801677 0.606560 Al\n0.296971 0.296971 0.604866 Al\n0.825087 0.825087 0.525273 Al\n0.175009 0.175009 0.475340 Al\n0.702611 0.702611 0.394473 Al\n0.702556 0.200656 0.394573 Al\n0.224920 0.224920 0.324806 Al\n0.275205 0.275205 0.175002 Al\n0.324853 0.324853 0.025119 Al\n0.699849 0.202240 0.893604 Al\n0.201606 0.201606 0.895644 Al\n0.202240 0.699849 0.893604 Al\n0.200656 0.702556 0.394573 Al\n0.830653 0.359652 0.450767 O\n0.546345 0.546345 0.359851 O\n0.949753 0.453737 0.143926 O\n0.648256 0.648256 0.054789 O\n0.859163 0.859163 0.950334 O\n0.859430 0.330025 0.950757 O\n0.330025 0.859430 0.950757 O\n0.543473 0.050545 0.855661 O\n0.544493 0.544493 0.855367 O\n0.046811 0.046811 0.859509 O\n0.753146 0.753146 0.749998 O\n0.952438 0.952438 0.643639 O\n0.956342 0.448217 0.644331 O\n0.448217 0.956342 0.644331 O\n0.639668 0.170673 0.549215 O\n0.640604 0.640604 0.549668 O\n0.148240 0.148240 0.554957 O\n0.851781 0.851781 0.445218 O\n0.359652 0.830653 0.450767 O\n0.359391 0.359391 0.450652 O\n0.552657 0.045425 0.355519 O\n0.045425 0.552657 0.355519 O\n0.045795 0.045795 0.355629 O\n0.249965 0.249965 0.249974 O\n0.953583 0.953583 0.140455 O\n0.453369 0.453369 0.143825 O\n0.453737 0.949753 0.143926 O\n0.670170 0.139931 0.049259 O\n0.139931 0.670170 0.049259 O\n0.140174 0.140174 0.049332 O\n0.351394 0.351394 0.945121 O\n0.050545 0.543473 0.855661 O\n0.453419 0.453419 0.640662 O\n0.170673 0.639668 0.549215 O\n",
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"volume": 636.3264693781243,
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"formula_full": "K2 Al22 O34",
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"spacegroup": 8
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{
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"created_at": "2022-09-04T14:47:36.346810Z",
"structure_string": "Hf1 Zn1 Co2\n1.0\n0.000000 3.007127 3.007127\n3.007127 0.000000 3.007127\n3.007127 3.007127 0.000000\nHf Zn Co\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n",
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"volume": 54.38577301834152,
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{
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"structure_string": "Mo1 W2 Se4 S2\n1.0\n1.638433 -2.837848 0.000000\n1.638433 2.837848 0.000000\n0.000000 0.000000 30.227678\nMo W Se S\n1 2 4 2\ndirect\n0.666667 0.333333 0.000000 Mo\n0.333333 0.666667 0.768666 W\n0.333333 0.666667 0.231334 W\n0.666667 0.333333 0.712426 Se\n0.666667 0.333333 0.175099 Se\n0.666667 0.333333 0.824901 Se\n0.666667 0.333333 0.287574 Se\n0.333333 0.666667 0.050908 S\n0.333333 0.666667 0.949092 S\n",
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{
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"structure_string": "Mn8 O14 F2\n1.0\n5.469985 4.982895 0.000000\n-5.469985 4.982895 0.000000\n0.000000 0.012698 4.461161\nMn O F\n8 14 2\ndirect\n0.949548 0.562958 0.523058 Mn\n0.050443 0.949557 0.500000 Mn\n0.437042 0.050452 0.476942 Mn\n0.554079 0.445921 0.500000 Mn\n0.210443 0.300576 0.985746 Mn\n0.302600 0.697400 0.000000 Mn\n0.699424 0.789557 0.014254 Mn\n0.800952 0.199048 0.000000 Mn\n0.019452 0.157998 0.768587 O\n0.153979 0.519120 0.775282 O\n0.517605 0.652813 0.768349 O\n0.264929 0.906455 0.728179 O\n0.407611 0.262542 0.724468 O\n0.905457 0.770418 0.740692 O\n0.767309 0.407847 0.734723 O\n0.229582 0.094543 0.259308 O\n0.737458 0.592389 0.275532 O\n0.093545 0.735071 0.271821 O\n0.592153 0.232691 0.265277 O\n0.480880 0.846021 0.224718 O\n0.842002 0.980548 0.231413 O\n0.347187 0.482395 0.231651 O\n0.642315 0.005999 0.740172 F\n0.994001 0.357685 0.259828 F\n",
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{
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"structure_string": "Na4 Sn8 O18\n1.0\n2.751860 -4.766361 0.000000\n2.751860 4.766361 0.000000\n0.000000 0.000000 14.746117\nNa Sn O\n4 8 18\ndirect\n0.000000 0.000000 0.148591 Na\n0.000000 0.000000 0.351409 Na\n0.000000 0.000000 0.648591 Na\n0.000000 0.000000 0.851409 Na\n0.333333 0.666667 0.312399 Sn\n0.333333 0.666667 0.024342 Sn\n0.333333 0.666667 0.812399 Sn\n0.333333 0.666667 0.524342 Sn\n0.666667 0.333333 0.187601 Sn\n0.666667 0.333333 0.687601 Sn\n0.666667 0.333333 0.475658 Sn\n0.666667 0.333333 0.975658 Sn\n0.000000 0.660221 0.750000 O\n0.040372 0.642620 0.420723 O\n0.357380 0.959628 0.920723 O\n0.000000 0.339779 0.250000 O\n0.040372 0.397751 0.920723 O\n0.357380 0.397751 0.420723 O\n0.339779 0.339779 0.750000 O\n0.397751 0.357380 0.079277 O\n0.602249 0.959628 0.420723 O\n0.339779 0.000000 0.250000 O\n0.397751 0.040372 0.579277 O\n0.602249 0.642620 0.920723 O\n0.660221 0.660221 0.250000 O\n0.642620 0.602249 0.579277 O\n0.959628 0.602249 0.079277 O\n0.642620 0.040372 0.079277 O\n0.660221 0.000000 0.750000 O\n0.959628 0.357380 0.579277 O\n",
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{
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"structure_string": "Pu4\n1.0\n2.124560 -4.682047 0.000000\n2.124560 4.682047 0.000000\n0.000000 0.000000 3.782455\nPu\n4\ndirect\n0.879290 0.120710 0.894846 Pu\n0.379290 0.620710 0.605154 Pu\n0.620710 0.379290 0.394846 Pu\n0.120710 0.879290 0.105154 Pu\n",
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{
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"created_at": "2022-09-04T14:47:36.592769Z",
"structure_string": "Sm4 Fe4 Cu4\n1.0\n-2.647455 -4.542281 0.000000\n-5.257460 -0.021608 0.000000\n0.000000 0.000000 -8.732797\nSm Fe Cu\n4 4 4\ndirect\n0.333198 0.333153 0.562872 Sm\n0.667817 0.667779 0.435604 Sm\n0.667817 0.667779 0.064396 Sm\n0.333198 0.333153 0.937128 Sm\n0.835458 0.835581 0.750000 Fe\n0.169806 0.663768 0.250000 Fe\n0.663687 0.169854 0.250000 Fe\n0.167155 0.167113 0.250000 Fe\n0.997704 0.997673 0.497820 Cu\n0.997704 0.997673 0.002180 Cu\n0.836019 0.330488 0.750000 Cu\n0.330435 0.835986 0.750000 Cu\n",
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{
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{
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"structure_string": "Cs3 Li2 Br5\n1.0\n12.909135 3.823632 0.000000\n-12.909135 3.823632 0.000000\n0.000000 2.582975 3.640855\nCs Li Br\n3 2 5\ndirect\n0.646345 0.400929 0.724738 Cs\n0.400929 0.646345 0.724738 Cs\n0.029837 0.029837 0.195058 Cs\n0.771531 0.203541 0.765458 Li\n0.203541 0.771531 0.765458 Li\n0.531238 0.531238 0.197356 Br\n0.347340 0.823106 0.169209 Br\n0.823106 0.347340 0.169209 Br\n0.914009 0.151825 0.710859 Br\n0.151825 0.914009 0.710859 Br\n",
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}