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{
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{
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{
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"structure_string": "Sr4 Sm2 Sb2 O12\n1.0\n6.005641 0.000000 0.000000\n0.000000 5.890463 0.000000\n0.000000 5.844671 8.398886\nSr Sm Sb O\n4 2 2 12\ndirect\n0.042593 0.238636 0.750532 Sr\n0.542593 0.761364 0.749468 Sr\n0.957407 0.761364 0.249468 Sr\n0.457407 0.238636 0.250532 Sr\n0.000000 0.500000 0.000000 Sm\n0.500000 0.500000 0.500000 Sm\n0.500000 0.000000 0.000000 Sb\n0.000000 0.000000 0.500000 Sb\n0.471210 0.320337 0.767967 O\n0.971210 0.679663 0.732033 O\n0.528790 0.679663 0.232033 O\n0.028790 0.320337 0.267967 O\n0.275833 0.138848 0.548759 O\n0.775833 0.861152 0.951241 O\n0.724167 0.861152 0.451241 O\n0.224167 0.138848 0.048759 O\n0.307545 0.770374 0.954787 O\n0.807545 0.229626 0.545213 O\n0.692455 0.229626 0.045213 O\n0.192455 0.770374 0.454787 O\n",
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{
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"structure_string": "Ca4 H8 C8 O16\n1.0\n6.883762 0.000000 0.000000\n0.000000 6.883762 0.000000\n0.000000 0.000000 9.499412\nCa H C O\n4 8 8 16\ndirect\n0.786323 0.786323 0.000000 Ca\n0.713677 0.286323 0.750000 Ca\n0.213677 0.213677 0.500000 Ca\n0.286323 0.713677 0.250000 Ca\n0.129945 0.671541 0.674498 H\n0.370055 0.171541 0.075502 H\n0.171541 0.370055 0.924498 H\n0.629945 0.828459 0.575502 H\n0.328459 0.870055 0.825502 H\n0.828459 0.629945 0.424498 H\n0.671541 0.129945 0.325502 H\n0.870055 0.328459 0.174498 H\n0.296298 0.810372 0.931396 C\n0.810372 0.296298 0.068604 C\n0.796298 0.689628 0.318604 C\n0.689628 0.796298 0.681396 C\n0.310372 0.203702 0.181396 C\n0.703702 0.189628 0.431396 C\n0.203702 0.310372 0.818604 C\n0.189628 0.703702 0.568604 C\n0.378496 0.281100 0.784921 O\n0.061018 0.277225 0.736536 O\n0.777225 0.438982 0.986536 O\n0.281100 0.378496 0.215079 O\n0.218900 0.878496 0.534921 O\n0.561018 0.222775 0.513464 O\n0.878496 0.218900 0.465079 O\n0.277225 0.061018 0.263464 O\n0.621504 0.718900 0.284921 O\n0.222775 0.561018 0.486536 O\n0.121504 0.781100 0.965079 O\n0.722775 0.938982 0.763464 O\n0.781100 0.121504 0.034921 O\n0.718900 0.621504 0.715079 O\n0.438982 0.777225 0.013464 O\n0.938982 0.722775 0.236536 O\n",
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"formula_full": "Ca4 H8 C8 O16",
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{
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"structure_string": "Pr8 B20\n1.0\n3.668350 7.654982 0.000000\n-3.668350 7.654982 0.000000\n0.000000 2.454732 6.939876\nPr B\n8 20\ndirect\n0.943717 0.819063 0.222296 Pr\n0.180937 0.056283 0.277704 Pr\n0.056283 0.180937 0.777704 Pr\n0.819063 0.943717 0.722296 Pr\n0.451798 0.310328 0.095960 Pr\n0.689672 0.548202 0.404040 Pr\n0.548202 0.689672 0.904040 Pr\n0.310328 0.451798 0.595960 Pr\n0.797020 0.289444 0.150002 B\n0.710556 0.202980 0.349998 B\n0.202980 0.710556 0.849998 B\n0.289444 0.797020 0.650002 B\n0.408268 0.093147 0.907220 B\n0.906853 0.591732 0.592780 B\n0.591732 0.906853 0.092780 B\n0.093147 0.408268 0.407220 B\n0.959093 0.538661 0.829766 B\n0.461339 0.040907 0.670234 B\n0.040907 0.461339 0.170234 B\n0.538661 0.959093 0.329766 B\n0.828730 0.671040 0.040106 B\n0.328960 0.171270 0.459894 B\n0.171270 0.328960 0.959894 B\n0.671040 0.828730 0.540106 B\n0.089334 0.590138 0.938428 B\n0.409862 0.910666 0.561572 B\n0.910666 0.409862 0.061572 B\n0.590138 0.089334 0.438428 B\n",
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{
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"structure_string": "Rb8 H8 S8 O32\n1.0\n4.783171 0.000000 0.000000\n0.000000 14.697237 0.000000\n0.000000 7.415609 13.191864\nRb H S O\n8 8 8 32\ndirect\n0.939734 0.877567 0.909795 Rb\n0.060266 0.877567 0.409795 Rb\n0.536995 0.618333 0.838921 Rb\n0.463005 0.618333 0.338921 Rb\n0.320438 0.121005 0.591242 Rb\n0.679562 0.121005 0.091242 Rb\n0.862113 0.394873 0.677206 Rb\n0.137887 0.394873 0.177206 Rb\n0.369810 0.873149 0.619946 H\n0.630190 0.873149 0.119946 H\n0.672090 0.731199 0.551995 H\n0.327910 0.731199 0.051995 H\n0.058734 0.164866 0.782765 H\n0.941266 0.164866 0.282765 H\n0.455776 0.354488 0.888817 H\n0.544224 0.354488 0.388817 H\n0.935837 0.864764 0.677057 S\n0.064163 0.864764 0.177057 S\n0.358481 0.614765 0.596365 S\n0.641519 0.614765 0.096365 S\n0.464915 0.106472 0.848404 S\n0.535085 0.106472 0.348404 S\n0.047612 0.364550 0.945508 S\n0.952388 0.364550 0.445508 S\n0.864466 0.955856 0.687722 O\n0.135534 0.955856 0.187722 O\n0.704493 0.833404 0.632556 O\n0.295507 0.833404 0.132556 O\n0.048798 0.777536 0.770200 O\n0.951202 0.777536 0.270200 O\n0.178361 0.903191 0.592665 O\n0.821639 0.903191 0.092665 O\n0.299310 0.553481 0.545977 O\n0.700690 0.553481 0.045977 O\n0.541371 0.560806 0.684575 O\n0.458629 0.560806 0.184575 O\n0.547323 0.713119 0.511128 O\n0.452677 0.713119 0.011128 O\n0.114882 0.663963 0.612814 O\n0.885118 0.663963 0.112814 O\n0.451533 0.005799 0.849576 O\n0.548467 0.005799 0.349576 O\n0.365938 0.101953 0.941130 O\n0.634062 0.101953 0.441130 O\n0.257562 0.183140 0.758091 O\n0.742438 0.183140 0.258091 O\n0.735387 0.159482 0.812282 O\n0.264613 0.159482 0.312282 O\n0.063587 0.471653 0.927880 O\n0.936413 0.471653 0.427880 O\n0.255004 0.355192 0.867772 O\n0.744996 0.355192 0.367772 O\n0.132272 0.286305 0.048371 O\n0.867728 0.286305 0.548371 O\n0.778315 0.339286 0.915239 O\n0.221685 0.339286 0.415239 O\n",
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{
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"structure_string": "Sm4 Fe4 O12\n1.0\n5.449086 0.000000 0.000000\n0.000000 5.680441 0.000000\n0.000000 0.000000 7.814822\nSm Fe O\n4 4 12\ndirect\n0.515308 0.560496 0.250000 Sm\n0.984692 0.060496 0.250000 Sm\n0.484692 0.439504 0.750000 Sm\n0.015308 0.939504 0.750000 Sm\n0.500000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.397460 0.966301 0.250000 O\n0.102540 0.466301 0.250000 O\n0.602540 0.033699 0.750000 O\n0.897460 0.533699 0.750000 O\n0.802280 0.800978 0.053607 O\n0.697720 0.300978 0.446393 O\n0.197720 0.199022 0.553607 O\n0.302280 0.699022 0.946393 O\n0.197720 0.199022 0.946393 O\n0.302280 0.699022 0.553607 O\n0.802280 0.800978 0.446393 O\n0.697720 0.300978 0.053607 O\n",
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{
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"structure_string": "Ba5 Yb8 Ni4 O21\n1.0\n-6.760129 6.760129 2.829364\n6.760129 -6.760129 2.829364\n6.760129 6.760129 -2.829364\nBa Yb Ni O\n5 8 4 21\ndirect\n0.532094 0.852624 0.384718 Ba\n0.852624 0.467906 0.320529 Ba\n0.147376 0.532094 0.679471 Ba\n0.467906 0.147376 0.615282 Ba\n0.000000 0.000000 0.000000 Ba\n0.830142 0.749506 0.579648 Yb\n0.749506 0.169858 0.919364 Yb\n0.250494 0.830142 0.080636 Yb\n0.169858 0.250494 0.420352 Yb\n0.639104 0.592662 0.231766 Yb\n0.592662 0.360896 0.953559 Yb\n0.407338 0.639104 0.046441 Yb\n0.360896 0.407338 0.768234 Yb\n0.756681 0.958616 0.715297 Ni\n0.958616 0.243319 0.201934 Ni\n0.041384 0.756681 0.798066 Ni\n0.243319 0.041384 0.284703 Ni\n0.500000 0.500000 0.000000 O\n0.974786 0.638710 0.613496 O\n0.638710 0.025214 0.663924 O\n0.361290 0.974786 0.336076 O\n0.025214 0.361290 0.386504 O\n0.502972 0.633295 0.595078 O\n0.633295 0.038217 0.130322 O\n0.907895 0.502972 0.869678 O\n0.038217 0.907895 0.404922 O\n0.497028 0.366705 0.404922 O\n0.366705 0.961783 0.869678 O\n0.092105 0.497028 0.130322 O\n0.961783 0.092105 0.595078 O\n0.726801 0.581669 0.774476 O\n0.581669 0.807193 0.854868 O\n0.952324 0.726801 0.145132 O\n0.807193 0.952324 0.225524 O\n0.273199 0.418331 0.225524 O\n0.418331 0.192807 0.145132 O\n0.047676 0.273199 0.854868 O\n0.192807 0.047676 0.774476 O\n",
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{
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{
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"elements": [
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"formula_full": "Li2 Sn4 P6 O24",
"formula_reduced": "LiSn2(PO4)3",
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{
"id": "mp-1218617",
"created_at": "2022-09-04T14:48:26.640855Z",
"structure_string": "Sr4 Ca1 Ho1 Cu6 Pb4 O16\n1.0\n5.422617 0.000000 0.000000\n0.011668 5.446275 0.000000\n0.160374 0.039425 15.923428\nSr Ca Ho Cu Pb O\n4 1 1 6 4 16\ndirect\n0.002343 0.001390 0.781438 Sr\n0.997657 0.998610 0.218562 Sr\n0.501822 0.499652 0.780015 Sr\n0.498178 0.500348 0.219985 Sr\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ho\n0.500210 0.999849 0.894683 Cu\n0.499790 0.000151 0.105317 Cu\n0.500000 0.500000 0.500000 Cu\n0.000280 0.500166 0.894589 Cu\n0.999720 0.499834 0.105411 Cu\n0.000000 0.000000 0.500000 Cu\n0.995879 0.496367 0.611199 Pb\n0.004121 0.503633 0.388801 Pb\n0.497337 0.009615 0.611195 Pb\n0.502663 0.990385 0.388805 Pb\n0.502674 0.995209 0.747917 O\n0.497326 0.004791 0.252083 O\n0.255747 0.255764 0.905215 O\n0.744253 0.744236 0.094785 O\n0.003099 0.505118 0.748017 O\n0.996901 0.494882 0.251983 O\n0.744438 0.255366 0.904915 O\n0.255562 0.744634 0.095085 O\n0.744558 0.744593 0.905586 O\n0.255442 0.255407 0.094414 O\n0.549140 0.447176 0.614212 O\n0.450860 0.552824 0.385788 O\n0.255580 0.744226 0.905443 O\n0.744420 0.255774 0.094557 O\n0.057216 0.066604 0.613066 O\n0.942784 0.933396 0.386934 O\n",
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],
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"volume": 470.2676086960069,
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"formula_full": "Sr4 Ca1 Ho1 Cu6 Pb4 O16",
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{
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"structure_string": "Rb1 Pb1 Br3\n1.0\n4.234594 4.229592 0.000000\n-4.234594 4.229592 0.000000\n0.000000 0.008477 5.980418\nRb Pb Br\n1 1 3\ndirect\n0.002956 0.002956 0.999805 Rb\n0.505275 0.505275 0.483568 Pb\n0.504066 0.002769 0.485275 Br\n0.491389 0.491389 0.984151 Br\n0.002769 0.504066 0.485275 Br\n",
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],
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"formula_full": "Rb1 Pb1 Br3",
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]
}