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{
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"structure_string": "Na1 Ca1 Tb1 Fe1 O6\n1.0\n0.000000 -4.043415 -4.043415\n4.043415 0.000000 -4.043415\n4.043415 -4.043415 0.000000\nNa Ca Tb Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Na\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Tb\n0.000000 0.000000 0.000000 Fe\n0.770915 0.229085 0.229085 O\n0.229085 0.770915 0.770915 O\n0.770915 0.229085 0.770915 O\n0.229085 0.770915 0.229085 O\n0.770915 0.770915 0.229085 O\n0.229085 0.229085 0.770915 O\n",
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{
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"structure_string": "Ca8 Mg5 Fe2 Si16 O48\n1.0\n4.530588 6.166646 0.000000\n-4.530588 6.166646 0.000000\n0.000000 1.149235 16.377605\nCa Mg Fe Si O\n8 5 2 16 48\ndirect\n0.242658 0.757342 0.000000 Ca\n0.765649 0.459329 0.111380 Ca\n0.488893 0.019630 0.244037 Ca\n0.009455 0.736761 0.376626 Ca\n0.735083 0.264917 0.500000 Ca\n0.263239 0.990545 0.623374 Ca\n0.980370 0.511107 0.755963 Ca\n0.540671 0.234351 0.888620 Ca\n0.085720 0.406153 0.250175 Mg\n0.403331 0.345558 0.374611 Mg\n0.343850 0.656150 0.500000 Mg\n0.654442 0.596669 0.625389 Mg\n0.593847 0.914280 0.749825 Mg\n0.146877 0.090711 0.119665 Fe\n0.909289 0.853123 0.880335 Fe\n0.079991 0.393230 0.522375 Si\n0.390539 0.334766 0.647998 Si\n0.327248 0.645186 0.773406 Si\n0.640570 0.592577 0.896103 Si\n0.585856 0.890263 0.024336 Si\n0.892747 0.820218 0.149809 Si\n0.830068 0.137065 0.272564 Si\n0.606770 0.920009 0.477625 Si\n0.143044 0.081278 0.396949 Si\n0.918722 0.856956 0.603051 Si\n0.862935 0.169932 0.727436 Si\n0.179782 0.107253 0.850191 Si\n0.109737 0.414144 0.975664 Si\n0.407423 0.359430 0.103897 Si\n0.354814 0.672752 0.226594 Si\n0.665234 0.609461 0.352002 Si\n0.943691 0.234559 0.207202 O\n0.243829 0.194540 0.333639 O\n0.192178 0.495309 0.459166 O\n0.488447 0.119343 0.663918 O\n0.493212 0.446764 0.584913 O\n0.336056 0.440749 0.736912 O\n0.108221 0.735544 0.790722 O\n0.437604 0.750848 0.711065 O\n0.429321 0.603714 0.863528 O\n0.750891 0.382265 0.904435 O\n0.739971 0.713832 0.835160 O\n0.587786 0.683912 0.989404 O\n0.367324 0.990824 0.039884 O\n0.701825 0.976117 0.957227 O\n0.684085 0.843377 0.113632 O\n0.559251 0.663944 0.263088 O\n0.975202 0.603283 0.163988 O\n0.016892 0.919015 0.091434 O\n0.880657 0.511553 0.336082 O\n0.841906 0.927453 0.239072 O\n0.659049 0.815125 0.388389 O\n0.615519 0.235993 0.289278 O\n0.511518 0.135703 0.461254 O\n0.935006 0.091024 0.361709 O\n0.814521 0.909609 0.513283 O\n0.236585 0.865587 0.413703 O\n0.134413 0.763415 0.586297 O\n0.090391 0.185479 0.486717 O\n0.908976 0.064994 0.638291 O\n0.864297 0.488482 0.538746 O\n0.765441 0.056309 0.792798 O\n0.764007 0.384481 0.710722 O\n0.184875 0.340951 0.611611 O\n0.072547 0.158094 0.760928 O\n0.080985 0.983108 0.908566 O\n0.396717 0.024798 0.836012 O\n0.156623 0.315915 0.886368 O\n0.023883 0.298175 0.042773 O\n0.009176 0.632676 0.960116 O\n0.316088 0.412214 0.010596 O\n0.286168 0.260029 0.164840 O\n0.617735 0.249109 0.095565 O\n0.396286 0.570679 0.136472 O\n0.249152 0.562396 0.288935 O\n0.264456 0.891779 0.209278 O\n0.553236 0.506788 0.415087 O\n0.504691 0.807822 0.540834 O\n0.805460 0.756171 0.666361 O\n",
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"formula_full": "Ca8 Mg5 Fe2 Si16 O48",
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{
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"created_at": "2022-09-04T14:40:15.880541Z",
"structure_string": "Sr4 Mn1 Ru1 O8\n1.0\n2.828373 -6.244336 0.000000\n2.828373 6.244336 0.000000\n0.000000 0.000000 5.656334\nSr Mn Ru O\n4 1 1 8\ndirect\n0.642358 0.357642 0.000000 Sr\n0.144476 0.855524 0.500000 Sr\n0.855524 0.144476 0.500000 Sr\n0.357642 0.642358 0.000000 Sr\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ru\n0.754804 0.754804 0.754794 O\n0.245196 0.245196 0.245206 O\n0.245196 0.245196 0.754794 O\n0.754804 0.754804 0.245206 O\n0.838286 0.161714 0.000000 O\n0.342591 0.657409 0.500000 O\n0.657409 0.342591 0.500000 O\n0.161714 0.838286 0.000000 O\n",
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"formula_full": "Sr4 Mn1 Ru1 O8",
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"spacegroup": 65
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{
"id": "mp-1216328",
"created_at": "2022-09-04T14:40:15.884194Z",
"structure_string": "U1 Al7 Fe5\n1.0\n-2.469771 4.296369 4.313699\n2.469771 -4.296369 4.313699\n2.469771 4.296369 -4.313699\nU Al Fe\n1 7 5\ndirect\n0.989276 0.000000 0.989276 U\n0.338515 0.000000 0.338515 Al\n0.653779 0.000000 0.653779 Al\n0.664223 0.655236 0.008987 Al\n0.353751 0.344764 0.008987 Al\n0.223204 0.500000 0.723204 Al\n0.208926 0.711677 0.497249 Al\n0.785571 0.288323 0.497249 Al\n0.503896 0.999325 0.000037 Fe\n0.503896 0.503859 0.504571 Fe\n0.000712 0.496141 0.000037 Fe\n0.000712 0.000675 0.504571 Fe\n0.773538 0.500000 0.273538 Fe\n",
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"volume": 183.0914610199627,
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"formula_full": "U1 Al7 Fe5",
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{
"id": "mp-1181538",
"created_at": "2022-09-04T14:40:15.884334Z",
"structure_string": "Fe1 Mo6 C8 N2 O20\n1.0\n3.838517 10.296541 0.000000\n-3.838517 10.296541 0.000000\n0.000000 1.891031 8.084431\nFe Mo C N O\n1 6 8 2 20\ndirect\n0.000000 0.000000 0.000000 Fe\n0.090102 0.090102 0.581721 Mo\n0.909898 0.909898 0.418279 Mo\n0.804847 0.326413 0.295627 Mo\n0.326413 0.804847 0.295627 Mo\n0.195153 0.673587 0.704373 Mo\n0.673587 0.195153 0.704373 Mo\n0.376791 0.376791 0.158658 C\n0.623209 0.623209 0.841342 C\n0.192928 0.468100 0.244834 C\n0.468100 0.192928 0.244834 C\n0.807072 0.531900 0.755166 C\n0.531900 0.807072 0.755166 C\n0.314814 0.314814 0.374308 C\n0.685186 0.685186 0.625692 C\n0.288848 0.288848 0.185301 N\n0.711152 0.711152 0.814699 N\n0.175284 0.175284 0.509418 O\n0.824716 0.824716 0.490582 O\n0.538563 0.538563 0.311709 O\n0.461437 0.461437 0.688291 O\n0.825272 0.296114 0.548481 O\n0.296114 0.825272 0.548481 O\n0.174728 0.703886 0.451519 O\n0.703886 0.174728 0.451519 O\n0.077037 0.077037 0.804068 O\n0.922963 0.922963 0.195932 O\n0.867952 0.432295 0.228417 O\n0.432295 0.867952 0.228417 O\n0.132048 0.567705 0.771583 O\n0.567705 0.132048 0.771583 O\n0.057420 0.057420 0.358859 O\n0.942580 0.942580 0.641141 O\n0.848156 0.232356 0.112282 O\n0.232356 0.848156 0.112282 O\n0.151844 0.767644 0.887718 O\n0.767644 0.151844 0.887718 O\n",
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"formula_full": "Fe1 Mo6 C8 N2 O20",
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{
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{
"id": "mp-627355",
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"structure_string": "Ce8 Ge8 Pt8\n1.0\n4.501637 0.000000 0.000000\n0.000000 7.725284 0.000000\n0.000000 0.000000 14.631157\nCe Ge Pt\n8 8 8\ndirect\n0.500000 0.788848 0.253164 Ce\n0.000000 0.292504 0.500000 Ce\n0.500000 0.702907 0.500000 Ce\n0.000000 0.297093 0.000000 Ce\n0.000000 0.211152 0.246836 Ce\n0.000000 0.211152 0.753164 Ce\n0.500000 0.707496 0.000000 Ce\n0.500000 0.788848 0.746836 Ce\n0.000000 0.911656 0.404802 Ge\n0.000000 0.588929 0.149309 Ge\n0.500000 0.411071 0.649309 Ge\n0.000000 0.588929 0.850691 Ge\n0.500000 0.411071 0.350691 Ge\n0.000000 0.911656 0.595198 Ge\n0.500000 0.088344 0.904802 Ge\n0.500000 0.088344 0.095198 Ge\n0.000000 0.920777 0.890536 Pt\n0.000000 0.920777 0.109464 Pt\n0.500000 0.415642 0.148799 Pt\n0.000000 0.584358 0.648799 Pt\n0.500000 0.415642 0.851201 Pt\n0.500000 0.079223 0.609464 Pt\n0.500000 0.079223 0.390536 Pt\n0.000000 0.584358 0.351201 Pt\n",
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{
"id": "mp-781673",
"created_at": "2022-09-04T14:40:15.895978Z",
"structure_string": "Li5 Mn10 B10 O30\n1.0\n5.301455 0.000000 0.000000\n2.365041 5.273758 0.000000\n0.276657 0.253557 22.210948\nLi Mn B O\n5 10 10 30\ndirect\n0.028416 0.142864 0.813037 Li\n0.773416 0.256893 0.587257 Li\n0.226681 0.743238 0.413247 Li\n0.979882 0.853908 0.187814 Li\n0.575996 0.655683 0.988415 Li\n0.526169 0.135456 0.879979 Mn\n0.276109 0.265713 0.520545 Mn\n0.869907 0.077554 0.325459 Mn\n0.325396 0.525542 0.277117 Mn\n0.929627 0.322788 0.076488 Mn\n0.076383 0.668148 0.922656 Mn\n0.671763 0.475736 0.724982 Mn\n0.128609 0.924124 0.675216 Mn\n0.723695 0.734389 0.479768 Mn\n0.475555 0.864270 0.122389 Mn\n0.576714 0.002399 0.749545 B\n0.223446 0.397968 0.650617 B\n0.826709 0.197519 0.455809 B\n0.376223 0.401364 0.145581 B\n0.972632 0.204043 0.943928 B\n0.020693 0.801069 0.052591 B\n0.627805 0.598047 0.856350 B\n0.172077 0.803085 0.544281 B\n0.776864 0.602287 0.350046 B\n0.425632 0.994295 0.250813 B\n0.004689 0.115219 0.408075 O\n0.407793 0.068247 0.798553 O\n0.483326 0.135006 0.294761 O\n0.010009 0.314327 0.659041 O\n0.621326 0.113583 0.466439 O\n0.177635 0.290599 0.932332 O\n0.791157 0.085075 0.740686 O\n0.349644 0.226549 0.105414 O\n0.943269 0.046435 0.898335 O\n0.393943 0.332926 0.601584 O\n0.202948 0.488188 0.192923 O\n0.797238 0.286969 0.990811 O\n0.268724 0.546123 0.694707 O\n0.862816 0.349887 0.501295 O\n0.423104 0.512824 0.868290 O\n0.573126 0.497035 0.130472 O\n0.140122 0.647385 0.498693 O\n0.740403 0.447698 0.306037 O\n0.193413 0.744508 0.004097 O\n0.802961 0.513900 0.808796 O\n0.604806 0.666986 0.398242 O\n0.074106 0.923939 0.102213 O\n0.661999 0.754288 0.901443 O\n0.204127 0.924135 0.258995 O\n0.796753 0.733969 0.056702 O\n0.377462 0.888758 0.533043 O\n0.987857 0.691744 0.341741 O\n0.530498 0.854353 0.705391 O\n0.599404 0.919880 0.201876 O\n0.995458 0.885851 0.591332 O\n",
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"volume": 620.9868045883373,
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"formula_full": "Li5 Mn10 B10 O30",
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{
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{
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{
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{
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]
}