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{
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{
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"structure_string": "U2 Ge2 Au2\n1.0\n2.239850 5.253633 0.000000\n-2.239850 5.253633 0.000000\n0.000000 4.273889 5.315919\nU Ge Au\n2 2 2\ndirect\n0.454449 0.454449 0.797460 U\n0.545551 0.545551 0.202540 U\n0.158909 0.158909 0.812187 Ge\n0.841091 0.841091 0.187813 Ge\n0.834063 0.834063 0.603878 Au\n0.165937 0.165937 0.396122 Au\n",
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{
"id": "mp-770736",
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"structure_string": "Na8 Cr4 As2 C8 O32\n1.0\n5.206458 8.492414 0.121830\n-4.799338 8.570705 0.015368\n-5.206458 2.647240 8.070196\nNa Cr As C O\n8 4 2 8 32\ndirect\n0.088551 0.822897 0.838551 Na\n0.088446 0.250000 0.838446 Na\n0.338446 0.750000 0.588446 Na\n0.338551 0.322897 0.588551 Na\n0.661449 0.677103 0.411449 Na\n0.661554 0.250000 0.411554 Na\n0.911554 0.750000 0.161554 Na\n0.911449 0.177103 0.161449 Na\n0.000000 0.500000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.000000 0.000000 Cr\n0.125000 0.750000 0.375000 As\n0.875000 0.250000 0.625000 As\n0.365042 0.924205 0.782989 C\n0.282989 0.424205 0.865042 C\n0.710753 0.924205 0.792806 C\n0.707194 0.575795 0.789247 C\n0.292806 0.424205 0.210753 C\n0.289247 0.075795 0.207194 C\n0.717011 0.575795 0.134958 C\n0.634958 0.075795 0.217011 C\n0.359078 0.786292 0.893157 O\n0.060078 0.897912 0.439572 O\n0.367529 0.950004 0.643223 O\n0.143223 0.450004 0.867529 O\n0.682466 0.950004 0.906773 O\n0.309656 0.544283 0.859171 O\n0.042010 0.897912 0.162516 O\n0.060428 0.602088 0.439922 O\n0.403454 0.955717 0.353939 O\n0.593227 0.549996 0.817534 O\n0.393157 0.286292 0.859078 O\n0.337484 0.602088 0.457990 O\n0.854630 0.786292 0.820550 O\n0.679450 0.713708 0.645370 O\n0.359171 0.044283 0.809656 O\n0.146061 0.544283 0.096546 O\n0.853939 0.455717 0.903454 O\n0.640829 0.955717 0.190344 O\n0.320550 0.286292 0.354630 O\n0.145370 0.213708 0.179450 O\n0.662516 0.397912 0.542010 O\n0.606843 0.713708 0.140922 O\n0.406773 0.450004 0.182466 O\n0.596546 0.044283 0.646061 O\n0.939572 0.397912 0.560078 O\n0.957990 0.102088 0.837484 O\n0.690344 0.455717 0.140829 O\n0.317534 0.049996 0.093227 O\n0.856777 0.549996 0.132471 O\n0.632471 0.049996 0.356777 O\n0.939922 0.102088 0.560428 O\n0.640922 0.213708 0.106843 O\n",
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"formula_full": "Na8 Cr4 As2 C8 O32",
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"spacegroup": 70
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{
"id": "mp-19987",
"created_at": "2022-09-04T14:44:25.063391Z",
"structure_string": "Pa6 Sb8\n1.0\n-4.585988 4.585988 4.585988\n4.585988 -4.585988 4.585988\n4.585988 4.585988 -4.585988\nPa Sb\n6 8\ndirect\n0.250000 0.125000 0.875000 Pa\n0.125000 0.875000 0.250000 Pa\n0.750000 0.375000 0.625000 Pa\n0.875000 0.250000 0.125000 Pa\n0.625000 0.750000 0.375000 Pa\n0.375000 0.625000 0.750000 Pa\n0.500000 0.000000 0.659313 Sb\n0.000000 0.659313 0.500000 Sb\n0.659313 0.500000 0.000000 Sb\n0.000000 0.159313 0.500000 Sb\n0.840687 0.840687 0.840687 Sb\n0.340687 0.340687 0.340687 Sb\n0.159313 0.500000 0.000000 Sb\n0.500000 0.000000 0.159313 Sb\n",
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"density": 10.159134311573224,
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"formula_full": "Pa6 Sb8",
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"energy": -98.96145581,
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},
{
"id": "mp-773801",
"created_at": "2022-09-04T14:44:25.218274Z",
"structure_string": "Na2 Li10 Fe4 P4 C4 O28\n1.0\n5.018667 0.000000 0.000000\n-0.382278 8.615312 0.000000\n-0.000203 -0.113477 13.089546\nNa Li Fe P C O\n2 10 4 4 4 28\ndirect\n0.754376 0.913770 0.377411 Na\n0.247618 0.745747 0.999132 Na\n0.751690 0.915722 0.868392 Li\n0.239821 0.729903 0.755398 Li\n0.237503 0.733758 0.497955 Li\n0.226538 0.728003 0.261183 Li\n0.761895 0.268920 0.741162 Li\n0.771021 0.269652 0.510432 Li\n0.770762 0.265490 0.244045 Li\n0.756708 0.265801 0.004451 Li\n0.251267 0.092160 0.129605 Li\n0.249394 0.085174 0.625237 Li\n0.787468 0.651543 0.626202 Fe\n0.774145 0.647319 0.126045 Fe\n0.211975 0.346845 0.874271 Fe\n0.223901 0.349888 0.375387 Fe\n0.708330 0.582544 0.375821 P\n0.701937 0.590105 0.871896 P\n0.294362 0.409151 0.626393 P\n0.290352 0.407924 0.125863 P\n0.720198 0.957456 0.623316 C\n0.732573 0.957923 0.127595 C\n0.269879 0.049357 0.375305 C\n0.283509 0.045757 0.869741 C\n0.339042 0.901387 0.859376 O\n0.280542 0.899087 0.376511 O\n0.977336 0.915584 0.126563 O\n0.963445 0.912015 0.622703 O\n0.539597 0.852199 0.132584 O\n0.521818 0.855209 0.621197 O\n0.777746 0.690353 0.967677 O\n0.816936 0.689251 0.781136 O\n0.810271 0.675628 0.471256 O\n0.814623 0.678071 0.283756 O\n0.392735 0.572547 0.862185 O\n0.395010 0.575539 0.375037 O\n0.191104 0.575552 0.626173 O\n0.181633 0.572431 0.133463 O\n0.814210 0.425847 0.875076 O\n0.806372 0.414891 0.374593 O\n0.606140 0.421358 0.626754 O\n0.602292 0.421981 0.123501 O\n0.190715 0.310643 0.719004 O\n0.190655 0.310803 0.533335 O\n0.195740 0.303168 0.216115 O\n0.185889 0.315947 0.029978 O\n0.478808 0.150578 0.876308 O\n0.484897 0.138754 0.375449 O\n0.038056 0.087982 0.873879 O\n0.041401 0.114953 0.374129 O\n0.674524 0.103556 0.124382 O\n0.671240 0.104774 0.625645 O\n",
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"formula_full": "Na2 Li10 Fe4 P4 C4 O28",
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{
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"structure_string": "Mg16 Mn1 Al12\n1.0\n-5.231357 5.231357 5.231357\n5.231357 -5.231357 5.231357\n5.231357 5.231357 -5.231357\nMg Mn Al\n16 1 12\ndirect\n0.286099 0.600171 0.600171 Mg\n0.331015 0.331015 0.331015 Mg\n0.713901 0.314073 0.314073 Mg\n0.668985 0.000000 0.000000 Mg\n0.000000 0.685927 0.399829 Mg\n0.399829 0.000000 0.685927 Mg\n0.600171 0.600171 0.286099 Mg\n0.000000 0.000000 0.668985 Mg\n0.685927 0.399829 0.000000 Mg\n0.314073 0.713901 0.314073 Mg\n0.314073 0.314073 0.713901 Mg\n0.685927 0.000000 0.399829 Mg\n0.000000 0.668985 0.000000 Mg\n0.600171 0.286099 0.600171 Mg\n0.399829 0.685927 0.000000 Mg\n0.000000 0.399829 0.685927 Mg\n0.000000 0.000000 0.000000 Mn\n0.178286 0.816342 0.816342 Al\n0.821714 0.638056 0.638056 Al\n0.000000 0.361944 0.183658 Al\n0.361944 0.183658 0.000000 Al\n0.638056 0.821714 0.638056 Al\n0.816342 0.178286 0.816342 Al\n0.183658 0.361944 0.000000 Al\n0.816342 0.816342 0.178286 Al\n0.183658 0.000000 0.361944 Al\n0.361944 0.000000 0.183658 Al\n0.638056 0.638056 0.821714 Al\n0.000000 0.183658 0.361944 Al\n",
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{
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"structure_string": "K1 Na1 Mo2 O6\n1.0\n3.985192 0.000000 0.000000\n0.000000 3.985192 0.000000\n0.000000 0.000000 7.913166\nK Na Mo O\n1 1 2 6\ndirect\n0.500000 0.500000 0.500000 K\n0.500000 0.500000 0.000000 Na\n0.000000 0.000000 0.248100 Mo\n0.000000 0.000000 0.751900 Mo\n0.500000 0.000000 0.245904 O\n0.500000 0.000000 0.754096 O\n0.000000 0.500000 0.245904 O\n0.000000 0.500000 0.754096 O\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n",
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"volume": 125.6749658772008,
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"formula_full": "K1 Na1 Mo2 O6",
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{
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"structure_string": "Zn4 Si16 W4 O40\n1.0\n7.428305 0.000000 0.000000\n0.000000 7.428305 0.000000\n0.000000 0.000000 15.132230\nZn Si W O\n4 16 4 40\ndirect\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.000000 Zn\n0.145359 0.236420 0.648054 Si\n0.854641 0.763580 0.648054 Si\n0.236420 0.145359 0.851946 Si\n0.736420 0.354641 0.648054 Si\n0.263580 0.645359 0.648054 Si\n0.354641 0.736420 0.851946 Si\n0.645359 0.263580 0.851946 Si\n0.763580 0.854641 0.851946 Si\n0.354641 0.263580 0.351946 Si\n0.645359 0.736420 0.351946 Si\n0.263580 0.354641 0.148054 Si\n0.763580 0.145359 0.351946 Si\n0.236420 0.854641 0.351946 Si\n0.145359 0.763580 0.148054 Si\n0.854641 0.236420 0.148054 Si\n0.736420 0.645359 0.148054 Si\n0.500000 0.000000 0.572304 W\n0.000000 0.500000 0.927696 W\n0.000000 0.500000 0.427696 W\n0.500000 0.000000 0.072304 W\n0.214742 0.089373 0.575721 O\n0.785258 0.910627 0.575721 O\n0.089373 0.214742 0.924279 O\n0.589373 0.285258 0.575721 O\n0.410627 0.714742 0.575721 O\n0.285258 0.589373 0.924279 O\n0.714742 0.410627 0.924279 O\n0.910627 0.785258 0.924279 O\n0.285258 0.410627 0.424279 O\n0.714742 0.589373 0.424279 O\n0.410627 0.285258 0.075721 O\n0.910627 0.214742 0.424279 O\n0.089373 0.785258 0.424279 O\n0.214742 0.910627 0.075721 O\n0.785258 0.089373 0.075721 O\n0.257541 0.070186 0.368292 O\n0.589373 0.714742 0.075721 O\n0.757541 0.570186 0.631708 O\n0.429814 0.242459 0.868292 O\n0.929814 0.257541 0.631708 O\n0.070186 0.742459 0.631708 O\n0.257541 0.929814 0.868292 O\n0.742459 0.070186 0.868292 O\n0.570186 0.757541 0.868292 O\n0.676164 0.676164 0.250000 O\n0.823836 0.176164 0.250000 O\n0.176164 0.823836 0.250000 O\n0.323836 0.323836 0.250000 O\n0.823836 0.823836 0.750000 O\n0.676164 0.323836 0.750000 O\n0.323836 0.676164 0.750000 O\n0.176164 0.176164 0.750000 O\n0.929814 0.742459 0.131708 O\n0.757541 0.429814 0.131708 O\n0.242459 0.570186 0.131708 O\n0.429814 0.757541 0.368292 O\n0.570186 0.242459 0.368292 O\n0.070186 0.257541 0.131708 O\n0.742459 0.929814 0.368292 O\n0.242459 0.429814 0.631708 O\n",
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{
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{
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{
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"structure_string": "Ca4 Fe8 P8 O36\n1.0\n6.477240 0.000000 0.000000\n0.000000 7.495944 0.000000\n0.000000 0.000000 14.397376\nCa Fe P O\n4 8 8 36\ndirect\n0.250000 0.892938 0.778454 Ca\n0.250000 0.607062 0.278454 Ca\n0.750000 0.392938 0.721546 Ca\n0.750000 0.107062 0.221546 Ca\n0.250000 0.351098 0.880871 Fe\n0.750000 0.648902 0.119129 Fe\n0.750000 0.851098 0.619129 Fe\n0.250000 0.148902 0.380871 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.750000 0.362102 0.933572 P\n0.250000 0.637898 0.066428 P\n0.250000 0.862102 0.566428 P\n0.750000 0.137898 0.433572 P\n0.250000 0.389332 0.691552 P\n0.250000 0.110668 0.191552 P\n0.750000 0.889332 0.808448 P\n0.750000 0.610668 0.308448 P\n0.552798 0.604180 0.368862 O\n0.052798 0.395820 0.631138 O\n0.447202 0.104180 0.131138 O\n0.947202 0.895820 0.868862 O\n0.447202 0.395820 0.631138 O\n0.947202 0.604180 0.368862 O\n0.552798 0.895820 0.868862 O\n0.052798 0.104180 0.131138 O\n0.750000 0.326640 0.481067 O\n0.250000 0.673360 0.518933 O\n0.250000 0.826640 0.018933 O\n0.750000 0.173360 0.981067 O\n0.250000 0.123713 0.945491 O\n0.750000 0.876287 0.054509 O\n0.750000 0.623713 0.554509 O\n0.250000 0.376287 0.445491 O\n0.250000 0.215838 0.751199 O\n0.750000 0.784162 0.248801 O\n0.750000 0.715838 0.748801 O\n0.250000 0.284162 0.251199 O\n0.937865 0.128179 0.366764 O\n0.437865 0.871821 0.633236 O\n0.062135 0.628179 0.133236 O\n0.562135 0.371821 0.866764 O\n0.062135 0.871821 0.633236 O\n0.562135 0.128179 0.366764 O\n0.937865 0.371821 0.866764 O\n0.437865 0.628179 0.133236 O\n0.250000 0.497310 0.991443 O\n0.750000 0.041290 0.733971 O\n0.750000 0.458710 0.233971 O\n0.250000 0.541290 0.766029 O\n0.250000 0.002690 0.491443 O\n0.750000 0.997310 0.508557 O\n0.750000 0.502690 0.008557 O\n0.250000 0.958710 0.266029 O\n",
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}