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{
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{
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{
"id": "mp-1179958",
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"structure_string": "Pt4 C16 I16 N4\n1.0\n-5.986184 7.774413 8.029394\n5.986184 -7.774413 8.029394\n5.986184 7.774413 -8.029394\nPt C I N\n4 16 16 4\ndirect\n0.196086 0.595547 0.291633 Pt\n0.696086 0.404453 0.600539 Pt\n0.798443 0.099584 0.398027 Pt\n0.298443 0.900416 0.698859 Pt\n0.533642 0.291079 0.127304 C\n0.836225 0.708921 0.242563 C\n0.336225 0.093662 0.127304 C\n0.033642 0.906338 0.242563 C\n0.747445 0.611673 0.217463 C\n0.605790 0.388327 0.135772 C\n0.105790 0.970018 0.217463 C\n0.247445 0.029982 0.135772 C\n0.384329 0.619889 0.849961 C\n0.230071 0.380111 0.764440 C\n0.730071 0.965632 0.849961 C\n0.884329 0.034368 0.764440 C\n0.256036 0.573178 0.773825 C\n0.200647 0.426822 0.682858 C\n0.700647 0.017789 0.773825 C\n0.756036 0.982211 0.682858 C\n0.643814 0.188282 0.332096 I\n0.143814 0.811718 0.455532 I\n0.353860 0.693652 0.547511 I\n0.853860 0.306348 0.660208 I\n0.035465 0.518459 0.053924 I\n0.535465 0.481541 0.517006 I\n0.763608 0.608624 0.872232 I\n0.263608 0.391376 0.154984 I\n0.361258 0.756332 0.285338 I\n0.529006 0.243668 0.604925 I\n0.029006 0.424081 0.285338 I\n0.861258 0.575919 0.604925 I\n0.233079 0.098599 0.831678 I\n0.733079 0.901401 0.134480 I\n0.949195 0.011521 0.460716 I\n0.449195 0.988479 0.937675 I\n0.675683 0.500000 0.175683 N\n0.175683 0.000000 0.175683 N\n0.328517 0.500000 0.828517 N\n0.828517 0.000000 0.828517 N\n",
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"elements": [
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{
"id": "mp-1196761",
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"structure_string": "Ba6 P12 O48\n1.0\n7.939357 0.000000 0.000000\n-1.978784 11.579131 0.000000\n-1.977438 -4.109387 12.337661\nBa P O\n6 12 48\ndirect\n0.014306 0.829288 0.742509 Ba\n0.985694 0.170712 0.257491 Ba\n0.552064 0.041627 0.695148 Ba\n0.447936 0.958373 0.304852 Ba\n0.199435 0.629834 0.977190 Ba\n0.800565 0.370166 0.022810 Ba\n0.818095 0.709930 0.960928 P\n0.181905 0.290070 0.039072 P\n0.632537 0.884859 0.071543 P\n0.367463 0.115141 0.928457 P\n0.535191 0.781661 0.839541 P\n0.464809 0.218339 0.160459 P\n0.197909 0.814112 0.483108 P\n0.802091 0.185888 0.516892 P\n0.940741 0.878381 0.339266 P\n0.059259 0.121619 0.660734 P\n0.077677 0.662135 0.256831 P\n0.922323 0.337865 0.743169 P\n0.599466 0.896992 0.950867 O\n0.400534 0.103008 0.049133 O\n0.635830 0.681347 0.874309 O\n0.364170 0.318653 0.125691 O\n0.787405 0.809911 0.065174 O\n0.212595 0.190089 0.934826 O\n0.926790 0.741355 0.261755 O\n0.073210 0.258645 0.738245 O\n0.151697 0.685625 0.385291 O\n0.848303 0.314375 0.614709 O\n0.027445 0.869514 0.456008 O\n0.972555 0.130486 0.543992 O\n0.840591 0.598110 0.990181 O\n0.159409 0.401890 0.009819 O\n0.968895 0.766045 0.920020 O\n0.031105 0.233955 0.079980 O\n0.702616 0.008132 0.152447 O\n0.297384 0.991868 0.847553 O\n0.472735 0.809483 0.088669 O\n0.527265 0.190517 0.911331 O\n0.344154 0.728290 0.820153 O\n0.655846 0.271710 0.179847 O\n0.616792 0.822523 0.755054 O\n0.383208 0.177477 0.244946 O\n0.361952 0.893316 0.474798 O\n0.638048 0.106684 0.525202 O\n0.193647 0.789704 0.588314 O\n0.806353 0.210296 0.411686 O\n0.072908 0.970902 0.312772 O\n0.927092 0.029098 0.687228 O\n0.760490 0.897214 0.340561 O\n0.239510 0.102786 0.659439 O\n0.989187 0.531123 0.207335 O\n0.010813 0.468877 0.792665 O\n0.218390 0.717760 0.208209 O\n0.781610 0.282240 0.791791 O\n0.840822 0.008380 0.847482 O\n0.159178 0.991620 0.152518 O\n0.656146 0.739775 0.501774 O\n0.343854 0.260225 0.498226 O\n0.522059 0.528920 0.048943 O\n0.477941 0.471080 0.951057 O\n0.852898 0.558089 0.573926 O\n0.147102 0.441911 0.426074 O\n0.769489 0.487787 0.485234 O\n0.230511 0.512213 0.514766 O\n0.593356 0.648282 0.422603 O\n0.406644 0.351718 0.577397 O\n",
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"spacegroup": 2
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{
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"created_at": "2022-09-04T14:41:30.380212Z",
"structure_string": "Li1 Yb1 Nb1 O3\n1.0\n4.206328 0.327948 0.316235\n0.327948 4.206328 0.316235\n0.315201 0.315201 4.199448\nLi Yb Nb O\n1 1 1 3\ndirect\n0.765869 0.765869 0.769972 Li\n0.110455 0.110455 0.109829 Yb\n0.471749 0.471749 0.474877 Nb\n0.472569 0.472569 0.977134 O\n0.471970 0.974052 0.475759 O\n0.974052 0.471970 0.475759 O\n",
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"formula_full": "Li1 Yb1 Nb1 O3",
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{
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"structure_string": "La2 U3 O11\n1.0\n-1.931378 2.802940 9.604790\n1.931378 -2.802940 9.604790\n1.931378 2.802940 -9.604790\nLa U O\n2 3 11\ndirect\n0.699769 0.699769 0.000000 La\n0.300231 0.300231 0.000000 La\n0.906493 0.906493 0.000000 U\n0.500000 0.500000 0.000000 U\n0.093507 0.093507 0.000000 U\n0.829006 0.595073 0.233933 O\n0.638860 0.404927 0.233933 O\n0.284156 0.000000 0.284156 O\n0.412435 0.185570 0.226865 O\n0.041294 0.814430 0.226865 O\n0.361140 0.595073 0.766067 O\n0.170994 0.404927 0.766067 O\n0.715844 0.000000 0.715844 O\n0.958706 0.185570 0.773135 O\n0.587565 0.814430 0.773135 O\n0.000000 0.500000 0.500000 O\n",
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{
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{
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{
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{
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{
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}