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{
"id": "mp-19310",
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"structure_string": "Na3 Co1 N6 O12\n1.0\n5.521362 -3.970389 0.000000\n5.521362 3.970389 0.000000\n2.666272 0.000000 6.256231\nNa Co N O\n3 1 6 12\ndirect\n0.736397 0.736397 0.736397 Na\n0.263603 0.263603 0.263603 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Co\n0.796081 0.171220 0.816427 N\n0.203919 0.828780 0.183573 N\n0.171220 0.816427 0.796081 N\n0.828780 0.183573 0.203919 N\n0.183573 0.203919 0.828780 N\n0.816427 0.796081 0.171220 N\n0.304588 0.912696 0.244188 O\n0.244188 0.304588 0.912697 O\n0.755812 0.695412 0.087304 O\n0.237567 0.233635 0.629335 O\n0.233635 0.629335 0.237567 O\n0.766365 0.370665 0.762433 O\n0.912697 0.244188 0.304588 O\n0.629335 0.237567 0.233635 O\n0.762433 0.766365 0.370665 O\n0.695412 0.087303 0.755812 O\n0.087304 0.755812 0.695412 O\n0.370665 0.762433 0.766365 O\n",
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{
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"structure_string": "Rb12 Co4 O8\n1.0\n6.288746 0.000000 0.000000\n0.000000 7.825803 0.000000\n0.000000 0.000000 12.438482\nRb Co O\n12 4 8\ndirect\n0.776613 0.750000 0.899483 Rb\n0.276613 0.250000 0.600517 Rb\n0.223387 0.250000 0.100517 Rb\n0.723387 0.750000 0.399483 Rb\n0.318301 0.500871 0.862364 Rb\n0.818301 0.499129 0.637636 Rb\n0.681699 0.000871 0.137636 Rb\n0.181699 0.999129 0.362364 Rb\n0.681699 0.499129 0.137636 Rb\n0.181699 0.500871 0.362364 Rb\n0.318301 0.999129 0.862364 Rb\n0.818301 0.000871 0.637636 Rb\n0.306248 0.750000 0.618910 Co\n0.193752 0.750000 0.118910 Co\n0.806248 0.250000 0.881090 Co\n0.693752 0.250000 0.381090 Co\n0.587450 0.250000 0.970725 O\n0.087450 0.750000 0.529275 O\n0.412550 0.750000 0.029275 O\n0.912550 0.250000 0.470725 O\n0.015930 0.250000 0.785725 O\n0.484070 0.250000 0.285725 O\n0.515930 0.750000 0.714275 O\n0.984070 0.750000 0.214275 O\n",
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"formula_full": "Rb12 Co4 O8",
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},
{
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"created_at": "2022-09-04T14:39:35.324504Z",
"structure_string": "H14 Au2 N8 O30\n1.0\n4.415226 6.225752 0.000000\n-4.415226 6.225752 0.000000\n0.000000 5.725175 11.046618\nH Au N O\n14 2 8 30\ndirect\n0.972984 0.123942 0.112579 H\n0.876058 0.027016 0.387421 H\n0.027016 0.876058 0.887421 H\n0.123942 0.972984 0.612579 H\n0.035241 0.238415 0.969019 H\n0.761585 0.964759 0.530981 H\n0.964759 0.761585 0.030981 H\n0.238415 0.035241 0.469019 H\n0.000000 0.000000 0.000000 H\n0.000000 0.000000 0.500000 H\n0.699739 0.168889 0.256298 H\n0.831111 0.300261 0.243702 H\n0.300261 0.831111 0.743702 H\n0.168889 0.699739 0.756298 H\n0.000000 0.500000 0.500000 Au\n0.500000 0.000000 0.000000 Au\n0.415699 0.475970 0.401731 N\n0.524030 0.584301 0.098269 N\n0.584301 0.524030 0.598269 N\n0.475970 0.415699 0.901731 N\n0.978892 0.585194 0.257425 N\n0.414806 0.021108 0.242575 N\n0.021108 0.414806 0.742575 N\n0.585194 0.978892 0.757425 N\n0.559329 0.546860 0.341746 O\n0.453140 0.440671 0.158254 O\n0.440671 0.453140 0.658254 O\n0.546860 0.559329 0.841746 O\n0.414720 0.303297 0.454285 O\n0.696703 0.585280 0.045715 O\n0.585280 0.696703 0.545715 O\n0.303297 0.414720 0.954285 O\n0.245090 0.609501 0.406799 O\n0.390499 0.754910 0.093201 O\n0.754910 0.390499 0.593201 O\n0.609501 0.245090 0.906799 O\n0.979904 0.538160 0.171583 O\n0.461840 0.020096 0.328417 O\n0.020096 0.461840 0.828417 O\n0.538160 0.979904 0.671583 O\n0.953105 0.750743 0.261035 O\n0.249257 0.046895 0.238965 O\n0.046895 0.249257 0.738965 O\n0.750743 0.953105 0.761035 O\n0.009448 0.431806 0.353243 O\n0.568194 0.990552 0.146757 O\n0.990552 0.568194 0.646757 O\n0.431806 0.009448 0.853243 O\n0.047401 0.109343 0.029148 O\n0.890657 0.952599 0.470852 O\n0.952599 0.890657 0.970852 O\n0.109343 0.047401 0.529148 O\n0.832597 0.167403 0.250000 O\n0.167403 0.832597 0.750000 O\n",
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"formula_full": "H14 Au2 N8 O30",
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"spacegroup": 15
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{
"id": "mp-757185",
"created_at": "2022-09-04T14:39:31.472385Z",
"structure_string": "Li4 Mn4 P4 O16\n1.0\n4.187171 3.006578 -0.069668\n-4.187836 3.007530 0.071198\n-0.642058 0.004202 16.149176\nLi Mn P O\n4 4 4 16\ndirect\n0.282278 0.771443 0.748574 Li\n0.228501 0.717817 0.248557 Li\n0.771489 0.282137 0.751429 Li\n0.717711 0.228515 0.251436 Li\n0.920090 0.626793 0.584014 Mn\n0.079928 0.373308 0.415984 Mn\n0.626200 0.919451 0.915984 Mn\n0.373796 0.080481 0.084023 Mn\n0.257770 0.288840 0.631013 P\n0.288711 0.257598 0.868981 P\n0.711283 0.742343 0.131026 P\n0.742234 0.711227 0.368979 P\n0.110255 0.427497 0.688766 O\n0.572608 0.889781 0.188785 O\n0.427389 0.110164 0.811221 O\n0.889778 0.572599 0.311229 O\n0.973357 0.158521 0.855300 O\n0.841243 0.026520 0.355255 O\n0.158812 0.973551 0.644755 O\n0.026639 0.841426 0.144705 O\n0.403597 0.571184 0.853039 O\n0.428585 0.596190 0.353115 O\n0.571422 0.403895 0.646860 O\n0.596392 0.428757 0.146968 O\n0.173136 0.369208 0.541686 O\n0.630893 0.826843 0.041688 O\n0.369105 0.173101 0.958320 O\n0.826800 0.630810 0.458307 O\n",
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"formula_full": "Li4 Mn4 P4 O16",
"formula_reduced": "LiMnPO4",
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},
{
"id": "mp-755329",
"created_at": "2022-09-04T14:39:06.134729Z",
"structure_string": "Li12 Fe4 O8 F8\n1.0\n5.114130 0.000000 0.056360\n-1.699877 5.936895 4.818304\n-1.699876 -5.936894 4.818304\nLi Fe O F\n12 4 8 8\ndirect\n0.249998 0.308516 0.191485 Li\n0.250004 0.808515 0.691484 Li\n0.749997 0.691485 0.808516 Li\n0.750003 0.191484 0.308516 Li\n0.250001 0.569940 0.930059 Li\n0.250000 0.069941 0.430060 Li\n0.750001 0.430058 0.069940 Li\n0.750000 0.930059 0.569942 Li\n0.250000 0.186636 0.813363 Li\n0.250000 0.686634 0.313365 Li\n0.750000 0.313364 0.686635 Li\n0.750000 0.813366 0.186634 Li\n0.250001 0.951358 0.048642 Fe\n0.749998 0.548642 0.451361 Fe\n0.249994 0.451356 0.548644 Fe\n0.749998 0.048648 0.951353 Fe\n0.007100 0.554660 0.677769 O\n0.007093 0.054665 0.177765 O\n0.492908 0.822234 0.945334 O\n0.492899 0.322232 0.445340 O\n0.507101 0.177769 0.054660 O\n0.507093 0.677767 0.554666 O\n0.992906 0.445335 0.322233 O\n0.992900 0.945340 0.822231 O\n0.009073 0.688193 0.064690 F\n0.009083 0.188201 0.564692 F\n0.509073 0.564690 0.188194 F\n0.509083 0.064692 0.688202 F\n0.490918 0.435308 0.811798 F\n0.490928 0.935309 0.311807 F\n0.990918 0.311798 0.935307 F\n0.990928 0.811806 0.435310 F\n",
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"volume": 293.7247453460286,
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"formula_full": "Li12 Fe4 O8 F8",
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},
{
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"structure_string": "K2 Ce2 Nb2 Sn2 O12\n1.0\n6.026112 0.000000 0.000000\n0.000000 6.026112 0.000000\n0.000000 0.000000 8.491385\nK Ce Nb Sn O\n2 2 2 2 12\ndirect\n0.000000 0.000000 0.250000 K\n0.000000 0.000000 0.750000 K\n0.000000 0.500000 0.000000 Ce\n0.500000 0.000000 0.500000 Ce\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.000000 Nb\n0.500000 0.500000 0.750000 Sn\n0.500000 0.500000 0.250000 Sn\n0.000000 0.500000 0.737194 O\n0.500000 0.000000 0.762806 O\n0.245264 0.728991 0.500000 O\n0.754736 0.271009 0.500000 O\n0.271009 0.754736 0.000000 O\n0.728991 0.245264 0.000000 O\n0.245264 0.271009 0.500000 O\n0.271009 0.245264 0.000000 O\n0.754736 0.728991 0.500000 O\n0.728991 0.754736 0.000000 O\n0.000000 0.500000 0.262806 O\n0.500000 0.000000 0.237194 O\n",
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"formula_full": "K2 Ce2 Nb2 Sn2 O12",
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},
{
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"structure_string": "K12 Si12 O30\n1.0\n5.710772 8.337630 0.000000\n-5.710772 8.337630 0.000000\n0.000000 4.463709 9.061214\nK Si O\n12 12 30\ndirect\n0.615235 0.099185 0.929918 K\n0.099185 0.615235 0.429918 K\n0.286227 0.834609 0.623912 K\n0.834609 0.286227 0.123912 K\n0.231052 0.202634 0.021207 K\n0.202634 0.231052 0.521207 K\n0.435129 0.961246 0.783306 K\n0.961246 0.435129 0.283306 K\n0.637935 0.683730 0.966439 K\n0.683730 0.637935 0.466439 K\n0.675997 0.144106 0.520560 K\n0.144106 0.675997 0.020560 K\n0.514000 0.486798 0.325960 Si\n0.845773 0.384894 0.736909 Si\n0.384894 0.845773 0.236909 Si\n0.993970 0.045261 0.874851 Si\n0.045261 0.993970 0.374851 Si\n0.874304 0.909824 0.221074 Si\n0.909824 0.874304 0.721074 Si\n0.026028 0.522072 0.824169 Si\n0.522072 0.026028 0.324169 Si\n0.396850 0.360736 0.167067 Si\n0.360736 0.396850 0.667067 Si\n0.486798 0.514000 0.825960 Si\n0.883556 0.474547 0.823748 O\n0.030280 0.481776 0.989792 O\n0.481776 0.030280 0.489792 O\n0.436080 0.176863 0.217180 O\n0.176863 0.436080 0.717180 O\n0.938414 0.923432 0.847093 O\n0.923432 0.938414 0.347093 O\n0.234116 0.439621 0.242749 O\n0.439621 0.234116 0.742749 O\n0.929762 0.415942 0.566901 O\n0.415942 0.929762 0.066901 O\n0.904718 0.738306 0.246360 O\n0.209479 0.872550 0.339163 O\n0.872550 0.209479 0.839163 O\n0.998755 0.965582 0.557748 O\n0.965582 0.998755 0.057748 O\n0.393653 0.432614 0.484613 O\n0.432614 0.393653 0.984613 O\n0.407285 0.521062 0.702600 O\n0.521062 0.407285 0.202600 O\n0.041365 0.159679 0.286207 O\n0.159679 0.041365 0.786207 O\n0.676928 0.444667 0.339169 O\n0.444667 0.676928 0.839169 O\n0.442080 0.664760 0.263280 O\n0.664760 0.442080 0.763280 O\n0.474547 0.883556 0.323748 O\n0.699470 0.007881 0.233357 O\n0.007881 0.699470 0.733357 O\n0.738306 0.904718 0.746360 O\n",
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"formula_full": "K12 Si12 O30",
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{
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},
{
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{
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{
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"structure_string": "Sb8 N20 F44\n1.0\n6.455838 5.595930 0.000000\n-6.455838 5.595930 0.000000\n0.000000 4.306437 16.562369\nSb N F\n8 20 44\ndirect\n0.705538 0.760302 0.903237 Sb\n0.239698 0.294462 0.596763 Sb\n0.294462 0.239698 0.096763 Sb\n0.760302 0.705538 0.403237 Sb\n0.889002 0.356917 0.879954 Sb\n0.643083 0.110998 0.620046 Sb\n0.110998 0.643083 0.120046 Sb\n0.356917 0.889002 0.379954 Sb\n0.162204 0.789406 0.658458 N\n0.210594 0.837796 0.841542 N\n0.837796 0.210594 0.341542 N\n0.789406 0.162204 0.158458 N\n0.041731 0.746299 0.643456 N\n0.253701 0.958269 0.856544 N\n0.958269 0.253701 0.356544 N\n0.746299 0.041731 0.143456 N\n0.924863 0.701304 0.609224 N\n0.298696 0.075137 0.890776 N\n0.075137 0.298696 0.390776 N\n0.701304 0.924863 0.109224 N\n0.786427 0.661466 0.656614 N\n0.338534 0.213573 0.843386 N\n0.213573 0.338534 0.343386 N\n0.661466 0.786427 0.156614 N\n0.654669 0.621704 0.684489 N\n0.378296 0.345331 0.815511 N\n0.345331 0.378296 0.315511 N\n0.621704 0.654669 0.184489 N\n0.538916 0.647724 0.861795 F\n0.352276 0.461084 0.638205 F\n0.461084 0.352276 0.138205 F\n0.647724 0.538916 0.361795 F\n0.839697 0.801922 0.798386 F\n0.198078 0.160303 0.701614 F\n0.160303 0.198078 0.201614 F\n0.801922 0.839697 0.298386 F\n0.887832 0.843445 0.944373 F\n0.156555 0.112168 0.555627 F\n0.112168 0.156555 0.055627 F\n0.843445 0.887832 0.444373 F\n0.590691 0.684078 0.011096 F\n0.315922 0.409309 0.488904 F\n0.409310 0.315922 0.988904 F\n0.684078 0.590691 0.511096 F\n0.623367 0.954484 0.890122 F\n0.045516 0.376633 0.609878 F\n0.376633 0.045516 0.109878 F\n0.954484 0.623367 0.390122 F\n0.791803 0.543773 0.919983 F\n0.456227 0.208197 0.580017 F\n0.208197 0.456227 0.080017 F\n0.543773 0.791803 0.419983 F\n0.692397 0.304014 0.844318 F\n0.695986 0.307603 0.655682 F\n0.307603 0.695986 0.155682 F\n0.304014 0.692397 0.344318 F\n0.966778 0.500874 0.777979 F\n0.499126 0.033222 0.722021 F\n0.033222 0.499126 0.222021 F\n0.500874 0.966778 0.277979 F\n0.077010 0.443432 0.915102 F\n0.556568 0.922990 0.584898 F\n0.922990 0.556568 0.084898 F\n0.443432 0.077010 0.415102 F\n0.795926 0.238793 0.985640 F\n0.761207 0.204074 0.514359 F\n0.204074 0.761207 0.014359 F\n0.238793 0.795926 0.485641 F\n0.984388 0.185905 0.846471 F\n0.814095 0.015612 0.653529 F\n0.015612 0.814095 0.153529 F\n0.185905 0.984388 0.346471 F\n",
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{
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]
}