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{
"id": "mp-999300",
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{
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},
{
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"structure_string": "Sn2 H14 C6 N2 O10 F2\n1.0\n6.208207 0.000000 0.000000\n-1.801515 7.705353 0.000000\n-0.620840 -1.854236 7.946865\nSn H C N O F\n2 14 6 2 10 2\ndirect\n0.777845 0.524769 0.825245 Sn\n0.222155 0.475231 0.174755 Sn\n0.781235 0.866795 0.189203 H\n0.218765 0.133205 0.810797 H\n0.640947 0.888328 0.362315 H\n0.359053 0.111672 0.637685 H\n0.787216 0.072967 0.307199 H\n0.212784 0.927033 0.692801 H\n0.850152 0.147675 0.928788 H\n0.149848 0.852325 0.071212 H\n0.627553 0.055281 0.971886 H\n0.372447 0.944719 0.028114 H\n0.962188 0.797657 0.434538 H\n0.037812 0.202343 0.565462 H\n0.128467 0.964023 0.347279 H\n0.871533 0.035977 0.652721 H\n0.508848 0.698828 0.612684 C\n0.491152 0.301172 0.387316 C\n0.347108 0.637550 0.739156 C\n0.652892 0.362450 0.260844 C\n0.985321 0.933885 0.416293 C\n0.014679 0.066115 0.583707 C\n0.782915 0.941178 0.311078 N\n0.217085 0.058822 0.688922 N\n0.700231 0.661483 0.626264 O\n0.299769 0.338517 0.373736 O\n0.445374 0.775905 0.506386 O\n0.554626 0.224095 0.493614 O\n0.170390 0.689486 0.743085 O\n0.829610 0.310514 0.256915 O\n0.408599 0.538336 0.829962 O\n0.591401 0.461664 0.170038 O\n0.690927 0.100391 0.880329 O\n0.309073 0.899609 0.119671 O\n0.864475 0.771270 0.007194 F\n0.135525 0.228730 0.992806 F\n",
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"formula_full": "Sn2 H14 C6 N2 O10 F2",
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"updated_at": "2021-11-28T01:35:22.711000Z",
"spacegroup": 2
},
{
"id": "mp-4266",
"created_at": "2022-09-04T14:41:08.424364Z",
"structure_string": "K1 As1 F6\n1.0\n3.301421 -3.791242 0.000000\n3.301421 3.791242 0.000000\n-1.052314 0.000000 4.915845\nK As F\n1 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 As\n0.228266 0.922561 0.270060 F\n0.922561 0.270060 0.228266 F\n0.729940 0.771734 0.077439 F\n0.077439 0.729940 0.771734 F\n0.771734 0.077439 0.729940 F\n0.270060 0.228266 0.922561 F\n",
"nsites": 8,
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"density": 3.0767556528068956,
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"volume": 123.05820979775382,
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"formula_full": "K1 As1 F6",
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"updated_at": "2021-11-28T01:35:15.911000Z",
"spacegroup": 148
},
{
"id": "mp-765485",
"created_at": "2022-09-04T14:41:08.536658Z",
"structure_string": "Zr15 V1 O32\n1.0\n5.268371 0.000000 0.000000\n-0.029696 10.388908 0.000000\n-0.019809 -1.798681 10.611399\nZr V O\n15 1 32\ndirect\n0.542237 0.863270 0.146677 Zr\n0.956054 0.864638 0.394521 Zr\n0.543848 0.862656 0.644472 Zr\n0.957961 0.861100 0.895230 Zr\n0.042845 0.638502 0.105117 Zr\n0.453844 0.636744 0.355353 Zr\n0.042857 0.637139 0.603357 Zr\n0.458184 0.637660 0.853986 Zr\n0.543023 0.359616 0.147894 Zr\n0.953155 0.355012 0.394619 Zr\n0.540815 0.358750 0.641470 Zr\n0.955052 0.362090 0.895380 Zr\n0.041717 0.139623 0.107642 Zr\n0.043041 0.141312 0.603614 Zr\n0.455629 0.138419 0.854936 Zr\n0.446806 0.129444 0.349800 V\n0.836503 0.965191 0.080005 O\n0.665607 0.977811 0.331109 O\n0.839889 0.966105 0.575607 O\n0.667561 0.965986 0.827816 O\n0.259049 0.777064 0.011389 O\n0.242098 0.776763 0.260939 O\n0.255946 0.777130 0.509532 O\n0.756942 0.730764 0.241286 O\n0.243022 0.775473 0.759910 O\n0.742228 0.725970 0.488610 O\n0.757783 0.724381 0.738763 O\n0.742794 0.724603 0.989859 O\n0.333650 0.534249 0.172274 O\n0.164148 0.533195 0.421560 O\n0.832954 0.465369 0.078895 O\n0.334427 0.533883 0.670707 O\n0.669107 0.466241 0.328010 O\n0.165152 0.535460 0.922303 O\n0.834746 0.461949 0.577507 O\n0.665422 0.464846 0.827504 O\n0.256245 0.276037 0.012120 O\n0.249271 0.269314 0.264494 O\n0.254901 0.273850 0.508094 O\n0.756646 0.222718 0.239947 O\n0.241972 0.275808 0.760285 O\n0.730594 0.218574 0.484927 O\n0.757917 0.224349 0.738472 O\n0.742299 0.223847 0.990052 O\n0.339316 0.038794 0.179983 O\n0.182786 0.039527 0.417534 O\n0.332480 0.034671 0.671452 O\n0.169484 0.034099 0.924988 O\n",
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{
"id": "mp-13875",
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"structure_string": "Al32 Pb36 O84\n1.0\n13.470318 0.000000 0.000000\n0.000000 13.470318 0.000000\n0.000000 0.000000 13.470318\nAl Pb O\n32 36 84\ndirect\n0.218380 0.454585 0.106960 Al\n0.106960 0.218380 0.454585 Al\n0.454585 0.106960 0.218380 Al\n0.045415 0.893040 0.718380 Al\n0.606960 0.281620 0.545415 Al\n0.545415 0.606960 0.281620 Al\n0.393040 0.781620 0.954585 Al\n0.893040 0.718380 0.045415 Al\n0.954585 0.393040 0.781620 Al\n0.718380 0.045415 0.893040 Al\n0.781620 0.954585 0.393040 Al\n0.281620 0.545415 0.606960 Al\n0.781620 0.545415 0.893040 Al\n0.893040 0.781620 0.545415 Al\n0.545415 0.893040 0.781620 Al\n0.954585 0.106960 0.281620 Al\n0.393040 0.718380 0.454585 Al\n0.454585 0.393040 0.718380 Al\n0.606960 0.218380 0.045415 Al\n0.106960 0.281620 0.954585 Al\n0.045415 0.606960 0.218380 Al\n0.281620 0.954585 0.106960 Al\n0.218380 0.045415 0.606960 Al\n0.718380 0.454585 0.393040 Al\n0.074541 0.074541 0.074541 Al\n0.425459 0.925459 0.574541 Al\n0.574541 0.425459 0.925459 Al\n0.925459 0.574541 0.425459 Al\n0.925459 0.925459 0.925459 Al\n0.574541 0.074541 0.425459 Al\n0.425459 0.574541 0.074541 Al\n0.074541 0.425459 0.574541 Al\n0.265371 0.956824 0.376549 Pb\n0.376549 0.265371 0.956824 Pb\n0.956824 0.376549 0.265371 Pb\n0.543176 0.623451 0.765371 Pb\n0.876549 0.234629 0.043176 Pb\n0.043176 0.876549 0.234629 Pb\n0.123451 0.734629 0.456824 Pb\n0.623451 0.765371 0.543176 Pb\n0.456824 0.123451 0.734629 Pb\n0.765371 0.543176 0.623451 Pb\n0.734629 0.456824 0.123451 Pb\n0.234629 0.043176 0.876549 Pb\n0.734629 0.043176 0.623451 Pb\n0.623451 0.734629 0.043176 Pb\n0.043176 0.623451 0.734629 Pb\n0.456824 0.376549 0.234629 Pb\n0.123451 0.765371 0.956824 Pb\n0.956824 0.123451 0.765371 Pb\n0.876549 0.265371 0.543176 Pb\n0.376549 0.234629 0.456824 Pb\n0.543176 0.876549 0.265371 Pb\n0.234629 0.456824 0.376549 Pb\n0.265371 0.543176 0.876549 Pb\n0.765371 0.956824 0.123451 Pb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.000000 Pb\n0.000000 0.000000 0.500000 Pb\n0.500000 0.000000 0.000000 Pb\n0.224482 0.224482 0.224482 Pb\n0.275518 0.775518 0.724482 Pb\n0.724482 0.275518 0.775518 Pb\n0.775518 0.724482 0.275518 Pb\n0.775518 0.775518 0.775518 Pb\n0.724482 0.224482 0.275518 Pb\n0.275518 0.724482 0.224482 Pb\n0.224482 0.275518 0.724482 Pb\n0.047171 0.054074 0.203064 O\n0.203064 0.047171 0.054074 O\n0.054074 0.203064 0.047171 O\n0.445926 0.796936 0.547171 O\n0.703064 0.452829 0.945926 O\n0.945926 0.703064 0.452829 O\n0.296936 0.952829 0.554074 O\n0.796936 0.547171 0.445926 O\n0.554074 0.296936 0.952829 O\n0.547171 0.445926 0.796936 O\n0.952829 0.554074 0.296936 O\n0.452829 0.945926 0.703064 O\n0.952829 0.945926 0.796936 O\n0.796936 0.952829 0.945926 O\n0.945926 0.796936 0.952829 O\n0.554074 0.203064 0.452829 O\n0.296936 0.547171 0.054074 O\n0.054074 0.296936 0.547171 O\n0.703064 0.047171 0.445926 O\n0.203064 0.452829 0.554074 O\n0.445926 0.703064 0.047171 O\n0.452829 0.554074 0.203064 O\n0.047171 0.445926 0.703064 O\n0.547171 0.054074 0.296936 O\n0.711809 0.621029 0.809562 O\n0.809562 0.711809 0.621029 O\n0.621029 0.809562 0.711809 O\n0.878971 0.190438 0.211809 O\n0.309562 0.788191 0.378971 O\n0.378971 0.309562 0.788191 O\n0.690438 0.288191 0.121029 O\n0.190438 0.211809 0.878971 O\n0.121029 0.690438 0.288191 O\n0.211809 0.878971 0.190438 O\n0.288191 0.121029 0.690438 O\n0.788191 0.378971 0.309562 O\n0.288191 0.378971 0.190438 O\n0.190438 0.288191 0.378971 O\n0.378971 0.190438 0.288191 O\n0.121029 0.809562 0.788191 O\n0.690438 0.211809 0.621029 O\n0.621029 0.690438 0.211809 O\n0.309562 0.711809 0.878971 O\n0.809562 0.788191 0.121029 O\n0.878971 0.309562 0.711809 O\n0.788191 0.121029 0.809562 O\n0.711809 0.878971 0.309562 O\n0.211809 0.621029 0.690438 O\n0.000000 0.000000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.000000 0.500000 0.500000 O\n0.384841 0.493346 0.669615 O\n0.669615 0.384841 0.493346 O\n0.493346 0.669615 0.384841 O\n0.006654 0.330385 0.884841 O\n0.169615 0.115159 0.506654 O\n0.506654 0.169615 0.115159 O\n0.830385 0.615159 0.993346 O\n0.330385 0.884841 0.006654 O\n0.993346 0.830385 0.615159 O\n0.884841 0.006654 0.330385 O\n0.615159 0.993346 0.830385 O\n0.115159 0.506654 0.169615 O\n0.615159 0.506654 0.330385 O\n0.330385 0.615159 0.506654 O\n0.506654 0.330385 0.615159 O\n0.993346 0.669615 0.115159 O\n0.830385 0.884841 0.493346 O\n0.493346 0.830385 0.884841 O\n0.169615 0.384841 0.006654 O\n0.669615 0.115159 0.993346 O\n0.006654 0.169615 0.384841 O\n0.115159 0.993346 0.669615 O\n0.384841 0.006654 0.169615 O\n0.884841 0.493346 0.830385 O\n0.392198 0.392198 0.392198 O\n0.107802 0.607802 0.892198 O\n0.892198 0.107802 0.607802 O\n0.607802 0.892198 0.107802 O\n0.607802 0.607802 0.607802 O\n0.892198 0.392198 0.107802 O\n0.107802 0.892198 0.392198 O\n0.392198 0.107802 0.892198 O\n",
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{
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