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{
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{
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"structure_string": "Sr4 La4 Cl20\n1.0\n13.758077 0.000000 0.000000\n0.000000 7.552618 0.000000\n0.000000 3.572665 9.869579\nSr La Cl\n4 4 20\ndirect\n0.982184 0.529178 0.744767 Sr\n0.482184 0.470822 0.755233 Sr\n0.517816 0.529178 0.244767 Sr\n0.017816 0.470822 0.255233 Sr\n0.746570 0.895767 0.899360 La\n0.753430 0.895767 0.399360 La\n0.246570 0.104233 0.600640 La\n0.253430 0.104233 0.100640 La\n0.093513 0.865205 0.695018 Cl\n0.812571 0.824565 0.668144 Cl\n0.370375 0.807324 0.643824 Cl\n0.896262 0.629652 0.001997 Cl\n0.610058 0.598660 0.942559 Cl\n0.406487 0.865205 0.195018 Cl\n0.687429 0.824565 0.168144 Cl\n0.129625 0.807324 0.143824 Cl\n0.603738 0.629652 0.501997 Cl\n0.889942 0.598660 0.442559 Cl\n0.110058 0.401340 0.557441 Cl\n0.396262 0.370348 0.498003 Cl\n0.870375 0.192676 0.856176 Cl\n0.312571 0.175435 0.831856 Cl\n0.593513 0.134795 0.804982 Cl\n0.389942 0.401340 0.057441 Cl\n0.103738 0.370348 0.998003 Cl\n0.629625 0.192676 0.356176 Cl\n0.187429 0.175435 0.331856 Cl\n0.906487 0.134795 0.304982 Cl\n",
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{
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"structure_string": "Sr4 La4 Cl20\n1.0\n4.346717 0.000000 0.000000\n0.000000 12.804882 0.000000\n0.000000 0.000000 14.911813\nSr La Cl\n4 4 20\ndirect\n0.986783 0.250000 0.000000 Sr\n0.986783 0.250000 0.500000 Sr\n0.013217 0.750000 0.500000 Sr\n0.013217 0.750000 0.000000 Sr\n0.483204 0.024899 0.250000 La\n0.483204 0.475101 0.750000 La\n0.516796 0.524899 0.250000 La\n0.516796 0.975101 0.750000 La\n0.983387 0.167616 0.250000 Cl\n0.983387 0.332384 0.750000 Cl\n0.986630 0.923913 0.139586 Cl\n0.986630 0.576087 0.639586 Cl\n0.986630 0.576087 0.860414 Cl\n0.986630 0.923913 0.360414 Cl\n0.514442 0.867661 0.924370 Cl\n0.514442 0.867661 0.575630 Cl\n0.514442 0.632339 0.075630 Cl\n0.514442 0.632339 0.424370 Cl\n0.485558 0.132339 0.075630 Cl\n0.485558 0.132339 0.424370 Cl\n0.485558 0.367661 0.575630 Cl\n0.485558 0.367661 0.924370 Cl\n0.013370 0.423913 0.360414 Cl\n0.013370 0.423913 0.139586 Cl\n0.013370 0.076087 0.639586 Cl\n0.013370 0.076087 0.860414 Cl\n0.016613 0.667616 0.250000 Cl\n0.016613 0.832384 0.750000 Cl\n",
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{
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"structure_string": "Sr4 La4 Co4 O16\n1.0\n3.853620 0.000390 -0.002539\n-0.008383 0.000783 12.809850\n-0.000777 -7.685275 -0.000469\nSr La Co O\n4 4 4 16\ndirect\n0.998891 0.641614 0.501086 Sr\n0.500073 0.142064 0.251785 Sr\n0.998898 0.643593 0.998918 Sr\n0.500382 0.142930 0.748160 Sr\n0.499754 0.857146 0.254767 La\n0.001109 0.356986 0.002423 La\n0.499722 0.856805 0.745212 La\n0.001061 0.357787 0.497862 La\n0.000014 0.003327 0.999898 Co\n0.500152 0.502284 0.750447 Co\n0.500260 0.505765 0.249507 Co\n0.000043 0.006062 0.500344 Co\n0.999772 0.831481 0.499159 O\n0.499924 0.331075 0.249248 O\n0.999606 0.836383 0.000671 O\n0.501396 0.332881 0.750720 O\n0.499977 0.674236 0.249719 O\n0.000357 0.171135 0.000311 O\n0.498507 0.676384 0.750154 O\n0.000214 0.173831 0.499728 O\n0.500022 0.991392 0.499676 O\n0.000240 0.491995 0.249398 O\n0.500050 0.996398 0.000398 O\n0.999757 0.497100 0.750564 O\n0.999874 0.995253 0.255960 O\n0.499923 0.494370 0.007468 O\n0.000180 0.995551 0.744031 O\n0.499841 0.494171 0.492386 O\n",
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"formula_full": "Sr4 La4 Co4 O16",
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{
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"structure_string": "Sr4 La4 Co4 O16\n1.0\n3.862773 -0.004840 0.000715\n-1.947601 13.528114 6.243225\n-1.928207 -1.936741 6.258494\nSr La Co O\n4 4 4 16\ndirect\n0.640144 0.409591 0.873403 Sr\n0.639130 0.660263 0.620130 Sr\n0.640889 0.909889 0.372868 Sr\n0.639796 0.160227 0.120353 Sr\n0.360411 0.589913 0.129065 La\n0.360248 0.840629 0.878417 La\n0.360009 0.089640 0.629480 La\n0.360756 0.340591 0.378871 La\n0.001396 0.750709 0.252246 Co\n0.004777 0.000909 0.008009 Co\n0.004934 0.500994 0.508156 Co\n0.001281 0.250451 0.752364 Co\n0.835595 0.456156 0.215758 O\n0.835916 0.711745 0.963753 O\n0.835649 0.956305 0.715364 O\n0.835982 0.211594 0.464045 O\n0.174405 0.544376 0.803224 O\n0.169599 0.791509 0.545411 O\n0.174225 0.044199 0.303398 O\n0.169675 0.291389 0.045622 O\n0.496372 0.498362 0.493297 O\n0.493173 0.749143 0.237746 O\n0.496201 0.998209 0.992878 O\n0.493072 0.248881 0.737885 O\n0.991724 0.626902 0.355988 O\n0.996411 0.870478 0.122621 O\n0.992130 0.126659 0.856797 O\n0.996101 0.370289 0.622847 O\n",
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{
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{
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"formula_full": "Sr4 La4 Co4 O16",
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},
{
"id": "mp-1173211",
"created_at": "2022-09-04T14:44:05.656502Z",
"structure_string": "Sr4 La4 Cr1 Ni3 O15\n1.0\n7.597557 -0.167964 1.267421\n0.316117 3.584078 -1.354739\n-2.059444 1.018821 13.107456\nSr La Cr Ni O\n4 4 1 3 15\ndirect\n0.246240 0.652069 0.150790 Sr\n0.253760 0.347931 0.849210 Sr\n0.495644 0.639607 0.639855 Sr\n0.004356 0.360393 0.360145 Sr\n0.004704 0.637572 0.637387 La\n0.495296 0.362428 0.362613 La\n0.754132 0.648101 0.142428 La\n0.745868 0.351899 0.857572 La\n0.750000 0.000000 0.500000 Cr\n0.001208 0.996943 0.997977 Ni\n0.250000 0.000000 0.500000 Ni\n0.498792 0.003057 0.002023 Ni\n0.037777 0.494712 0.996195 O\n0.990421 0.827421 0.823324 O\n0.265200 0.839299 0.339315 O\n0.250000 0.500000 0.500000 O\n0.234800 0.160701 0.660685 O\n0.462223 0.505288 0.003805 O\n0.509579 0.172579 0.176676 O\n0.504033 0.996543 0.496264 O\n0.505795 0.837726 0.833189 O\n0.750000 0.000000 0.000000 O\n0.743574 0.832358 0.330638 O\n0.750000 0.500000 0.500000 O\n0.756426 0.167642 0.669362 O\n0.994205 0.162274 0.166811 O\n0.995967 0.003457 0.503736 O\n",
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],
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"density": 6.0463292780765325,
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"volume": 377.3961857786211,
"volume_molar": 8.417529455725802,
"formula_full": "Sr4 La4 Cr1 Ni3 O15",
"formula_reduced": "Sr4La4Cr(NiO5)3",
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"updated_at": "2021-11-28T01:36:32.519000Z",
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{
"id": "mp-1218189",
"created_at": "2022-09-04T14:48:27.861881Z",
"structure_string": "Sr4 La4 Cr4 O16\n1.0\n-3.924123 -3.924069 0.000073\n0.000011 3.923825 12.470895\n-3.924113 3.924058 -0.000077\nSr La Cr O\n4 4 4 16\ndirect\n0.320883 0.642059 0.679123 Sr\n0.070827 0.142068 0.429174 Sr\n0.820888 0.642066 0.179115 Sr\n0.570830 0.142073 0.929169 Sr\n0.929651 0.859059 0.570350 La\n0.679637 0.359051 0.320362 La\n0.429657 0.859066 0.070344 La\n0.179632 0.359046 0.820365 La\n0.501190 0.002339 0.498821 Cr\n0.251175 0.502348 0.248813 Cr\n0.751165 0.502348 0.748826 Cr\n0.001197 0.002351 0.998816 Cr\n0.418159 0.836229 0.581837 O\n0.168193 0.336386 0.331812 O\n0.918162 0.836232 0.081836 O\n0.668196 0.336388 0.831807 O\n0.835299 0.670756 0.664701 O\n0.585750 0.171073 0.414252 O\n0.335299 0.670757 0.164702 O\n0.085747 0.171071 0.914254 O\n0.247259 0.994685 0.752750 O\n0.997368 0.494629 0.502623 O\n0.747249 0.994684 0.252757 O\n0.497362 0.494627 0.002631 O\n0.247244 0.994681 0.252758 O\n0.997381 0.494621 0.002632 O\n0.747234 0.994679 0.752749 O\n0.497368 0.494621 0.502623 O\n",
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],
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"density": 5.923599077413953,
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"volume": 384.0681689704842,
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"formula_full": "Sr4 La4 Cr4 O16",
"formula_reduced": "SrLaCrO4",
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{
"id": "mp-1218223",
"created_at": "2022-09-04T14:39:11.121570Z",
"structure_string": "Sr4 La4 Cu4 S12\n1.0\n4.136983 0.000000 0.000000\n0.000000 11.230635 0.000000\n0.000000 0.000000 11.653177\nSr La Cu S\n4 4 4 12\ndirect\n0.250000 0.318665 0.007670 Sr\n0.250000 0.818665 0.492330 Sr\n0.750000 0.681335 0.992330 Sr\n0.750000 0.181335 0.507670 Sr\n0.250000 0.489735 0.683139 La\n0.250000 0.989735 0.816861 La\n0.750000 0.510265 0.316861 La\n0.750000 0.010265 0.183139 La\n0.250000 0.244753 0.288353 Cu\n0.250000 0.744753 0.211647 Cu\n0.750000 0.755247 0.711647 Cu\n0.750000 0.255247 0.788353 Cu\n0.250000 0.223560 0.695693 S\n0.250000 0.723560 0.804307 S\n0.750000 0.776440 0.304307 S\n0.750000 0.276440 0.195693 S\n0.250000 0.050825 0.358799 S\n0.250000 0.550825 0.141201 S\n0.750000 0.949175 0.641201 S\n0.750000 0.449175 0.858799 S\n0.250000 0.383760 0.441326 S\n0.250000 0.883760 0.058674 S\n0.750000 0.616240 0.558674 S\n0.750000 0.116240 0.941326 S\n",
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],
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"density": 4.73874901854795,
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"formula_full": "Sr4 La4 Cu4 S12",
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]
}