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{
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{
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{
"id": "mp-1204715",
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"structure_string": "K2 Fe6 As8 H4 O32\n1.0\n3.344241 9.705749 0.000000\n-3.344241 9.705749 0.000000\n0.000000 2.016784 10.954167\nK Fe As H O\n2 6 8 4 32\ndirect\n0.162216 0.837784 0.250000 K\n0.837784 0.162216 0.750000 K\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.331498 0.367886 0.225019 Fe\n0.632114 0.668502 0.274981 Fe\n0.668502 0.632114 0.774981 Fe\n0.367886 0.331498 0.725019 Fe\n0.582478 0.258766 0.448257 As\n0.741234 0.417522 0.051743 As\n0.417522 0.741234 0.551743 As\n0.258766 0.582478 0.948257 As\n0.179080 0.215366 0.270156 As\n0.784634 0.820920 0.229844 As\n0.820920 0.784634 0.729844 As\n0.215366 0.179080 0.770156 As\n0.795832 0.276590 0.403445 H\n0.723410 0.204168 0.096555 H\n0.204168 0.723410 0.596555 H\n0.276590 0.795832 0.903445 H\n0.412076 0.425704 0.334271 O\n0.574296 0.587924 0.165729 O\n0.587924 0.574296 0.665729 O\n0.425704 0.412076 0.834271 O\n0.669081 0.031519 0.465313 O\n0.968481 0.330919 0.034687 O\n0.330919 0.968481 0.534687 O\n0.031519 0.669081 0.965313 O\n0.470036 0.385910 0.581033 O\n0.614090 0.529964 0.918967 O\n0.529964 0.614090 0.418967 O\n0.385910 0.470036 0.081033 O\n0.821867 0.159882 0.410024 O\n0.840118 0.178133 0.089976 O\n0.178133 0.840118 0.589976 O\n0.159882 0.821867 0.910024 O\n0.326154 0.965567 0.251596 O\n0.034433 0.673846 0.248404 O\n0.673846 0.034433 0.748404 O\n0.965567 0.326154 0.751596 O\n0.925302 0.366555 0.314863 O\n0.633445 0.074698 0.185137 O\n0.074698 0.633445 0.685137 O\n0.366555 0.925302 0.814863 O\n0.287191 0.233796 0.362754 O\n0.766204 0.712809 0.137246 O\n0.712809 0.766204 0.637246 O\n0.233796 0.287191 0.862754 O\n0.205055 0.320124 0.138926 O\n0.679876 0.794945 0.361074 O\n0.794945 0.679876 0.861074 O\n0.320124 0.205055 0.638926 O\n",
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{
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"structure_string": "Li12 Co4 P4 C4 O28\n1.0\n6.390673 0.000000 0.000000\n0.000000 9.448495 0.000000\n0.000000 4.365222 8.827152\nLi Co P C O\n12 4 4 4 28\ndirect\n0.250922 0.098255 0.318627 Li\n0.249078 0.098255 0.818627 Li\n0.012988 0.279226 0.491564 Li\n0.487012 0.279226 0.991564 Li\n0.753133 0.346524 0.686840 Li\n0.746867 0.346524 0.186840 Li\n0.246867 0.653476 0.313160 Li\n0.253133 0.653476 0.813160 Li\n0.987012 0.720774 0.508436 Li\n0.512988 0.720774 0.008436 Li\n0.749078 0.901745 0.681373 Li\n0.750922 0.901745 0.181373 Li\n0.493778 0.275766 0.488562 Co\n0.006222 0.275766 0.988562 Co\n0.506222 0.724234 0.511438 Co\n0.993778 0.724234 0.011438 Co\n0.247576 0.408679 0.685717 P\n0.252424 0.408679 0.185717 P\n0.752424 0.591321 0.314283 P\n0.747576 0.591321 0.814283 P\n0.741429 0.038346 0.378361 C\n0.758571 0.038346 0.878361 C\n0.258571 0.961654 0.621639 C\n0.241429 0.961654 0.121639 C\n0.747579 0.068939 0.739232 O\n0.752421 0.068939 0.239232 O\n0.262584 0.110718 0.515055 O\n0.738479 0.148510 0.422985 O\n0.237416 0.110718 0.015055 O\n0.761521 0.148510 0.922985 O\n0.056653 0.314133 0.678362 O\n0.440959 0.309931 0.679271 O\n0.059041 0.309931 0.179271 O\n0.443347 0.314133 0.178362 O\n0.744665 0.420624 0.445635 O\n0.252082 0.420947 0.338934 O\n0.755335 0.420624 0.945635 O\n0.247918 0.420947 0.838934 O\n0.747918 0.579053 0.661066 O\n0.255335 0.579376 0.554365 O\n0.752082 0.579053 0.161066 O\n0.244665 0.579376 0.054365 O\n0.943347 0.685867 0.321638 O\n0.559041 0.690069 0.320729 O\n0.940959 0.690069 0.820729 O\n0.556653 0.685867 0.821638 O\n0.261521 0.851490 0.577015 O\n0.737416 0.889282 0.484945 O\n0.238479 0.851490 0.077015 O\n0.762584 0.889282 0.984945 O\n0.252421 0.931061 0.260768 O\n0.247579 0.931061 0.760768 O\n",
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{
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"structure_string": "Ca18 Mn2 P14 O56\n1.0\n12.897066 -5.227786 0.000000\n12.897066 5.227786 0.000000\n10.777999 0.000000 8.803339\nCa Mn P O\n18 2 14 56\ndirect\n0.473872 0.032846 0.008884 Ca\n0.008884 0.473872 0.032846 Ca\n0.032846 0.008884 0.473872 Ca\n0.508884 0.532846 0.973872 Ca\n0.973872 0.508884 0.532846 Ca\n0.532846 0.973872 0.508884 Ca\n0.350897 0.929570 0.917303 Ca\n0.917303 0.350897 0.929570 Ca\n0.929570 0.917303 0.350897 Ca\n0.417303 0.429570 0.850897 Ca\n0.850897 0.417303 0.429570 Ca\n0.429570 0.850897 0.417303 Ca\n0.650936 0.062881 0.091061 Ca\n0.091061 0.650936 0.062881 Ca\n0.062881 0.091061 0.650936 Ca\n0.591061 0.562881 0.150936 Ca\n0.150936 0.591061 0.562881 Ca\n0.562881 0.150936 0.591061 Ca\n0.500530 0.500530 0.500530 Mn\n0.000530 0.000530 0.000530 Mn\n0.255894 0.255894 0.255894 P\n0.755894 0.755894 0.755894 P\n0.682465 0.190512 0.221362 P\n0.221362 0.682465 0.190512 P\n0.190512 0.221362 0.682465 P\n0.721362 0.690512 0.182465 P\n0.182465 0.721362 0.690512 P\n0.690512 0.182465 0.721362 P\n0.820650 0.274593 0.308145 P\n0.308145 0.820650 0.274593 P\n0.274593 0.308145 0.820650 P\n0.808145 0.774593 0.320650 P\n0.320650 0.808145 0.774593 P\n0.774593 0.320650 0.808145 P\n0.610649 0.137007 0.229647 O\n0.229647 0.610649 0.137007 O\n0.137007 0.229647 0.610649 O\n0.729647 0.637007 0.110649 O\n0.110649 0.729647 0.637007 O\n0.637007 0.110649 0.729647 O\n0.624520 0.364614 0.144972 O\n0.144972 0.624520 0.364614 O\n0.364614 0.144972 0.624520 O\n0.644972 0.864614 0.124520 O\n0.124520 0.644972 0.864614 O\n0.864614 0.124520 0.644972 O\n0.659316 0.115799 0.385826 O\n0.385826 0.659316 0.115799 O\n0.115799 0.385826 0.659316 O\n0.885826 0.615799 0.159316 O\n0.159316 0.885826 0.615799 O\n0.615799 0.159316 0.885826 O\n0.861137 0.124474 0.126902 O\n0.126902 0.861137 0.124474 O\n0.124474 0.126902 0.861137 O\n0.626902 0.624474 0.361137 O\n0.361137 0.626902 0.624474 O\n0.624474 0.361137 0.626902 O\n0.911471 0.299937 0.310017 O\n0.310017 0.911471 0.299937 O\n0.299937 0.310017 0.911471 O\n0.810017 0.799937 0.411471 O\n0.411471 0.810017 0.799937 O\n0.799937 0.411471 0.810017 O\n0.855598 0.103264 0.403453 O\n0.403453 0.855598 0.103264 O\n0.103264 0.403453 0.855598 O\n0.903453 0.603264 0.355598 O\n0.355598 0.903453 0.603264 O\n0.603264 0.355598 0.903453 O\n0.863467 0.336818 0.141085 O\n0.141085 0.863467 0.336818 O\n0.336818 0.141085 0.863467 O\n0.641085 0.836818 0.363467 O\n0.363467 0.641085 0.836818 O\n0.836818 0.363467 0.641085 O\n0.643345 0.363292 0.384434 O\n0.384434 0.643345 0.363292 O\n0.363292 0.384434 0.643345 O\n0.884434 0.863292 0.143345 O\n0.143345 0.884434 0.863292 O\n0.863292 0.143345 0.884434 O\n0.296463 0.296463 0.296463 O\n0.796463 0.796463 0.796463 O\n0.223593 0.390877 0.110793 O\n0.110793 0.223593 0.390877 O\n0.390877 0.110793 0.223593 O\n0.610793 0.890877 0.723593 O\n0.723593 0.610793 0.890877 O\n0.890877 0.723593 0.610793 O\n",
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"formula_full": "Ca18 Mn2 P14 O56",
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{
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{
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"structure_string": "Sr1 La1 Fe1 O4\n1.0\n-1.968579 1.968579 6.302072\n1.968579 -1.968579 6.302072\n1.968579 1.968579 -6.302072\nSr La Fe O\n1 1 1 4\ndirect\n0.642009 0.642009 0.000000 Sr\n0.358317 0.358317 0.000000 La\n0.004177 0.004177 0.000000 Fe\n0.833462 0.833462 0.000000 O\n0.172627 0.172627 0.000000 O\n0.994704 0.494704 0.500000 O\n0.494704 0.994704 0.500000 O\n",
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