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{
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{
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"spacegroup": 123
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{
"id": "mp-1522681",
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"structure_string": "K1 Nd1 V4 O12\n1.0\n0.000000 3.612898 4.909417\n0.000000 -3.612898 4.909417\n7.251550 0.000000 0.000000\nK Nd V O\n1 1 4 12\ndirect\n0.027041 0.027041 -0.000000 K\n0.564705 0.564705 0.500000 Nd\n0.534264 0.043619 0.748062 V\n0.534264 0.043619 0.251938 V\n0.043619 0.534264 0.251938 V\n0.043619 0.534264 0.748062 V\n0.694768 0.221837 0.721379 O\n0.221837 0.694768 0.721379 O\n0.221837 0.694768 0.278621 O\n0.694768 0.221837 0.278621 O\n0.734018 0.734018 0.740407 O\n0.240974 0.240974 0.751178 O\n0.240974 0.240974 0.248822 O\n0.734018 0.734018 0.259593 O\n0.520382 0.005436 -0.000000 O\n0.471958 0.973918 0.500000 O\n0.005436 0.520382 -0.000000 O\n0.973918 0.471958 0.500000 O\n",
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{
"id": "mp-776954",
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"structure_string": "Li4 Mn2 P2 H2 O10\n1.0\n-0.622243 -2.026042 5.023339\n5.588992 -0.159477 0.213966\n-2.271758 7.390116 0.000205\nLi Mn P H O\n4 2 2 2 10\ndirect\n0.208668 0.575558 0.211013 Li\n0.791153 0.424643 0.788842 Li\n0.482666 0.124936 0.832367 Li\n0.518025 0.874908 0.167645 Li\n0.999593 0.999973 0.500526 Mn\n0.000086 0.000335 0.999683 Mn\n0.665377 0.377005 0.228177 P\n0.334628 0.622882 0.771775 P\n0.670360 0.916080 0.635104 H\n0.329303 0.083988 0.365110 H\n0.861976 0.356505 0.117350 O\n0.138240 0.643610 0.882822 O\n0.382188 0.247078 0.069978 O\n0.617903 0.752800 0.929750 O\n0.270271 0.772807 0.630881 O\n0.729724 0.226942 0.368924 O\n0.655242 0.663450 0.328719 O\n0.344839 0.336480 0.671220 O\n0.815472 0.061158 0.723505 O\n0.184291 0.938859 0.276604 O\n",
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"spacegroup": 2
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{
"id": "mp-626785",
"created_at": "2022-09-04T14:42:11.556697Z",
"structure_string": "K2 H2 O2\n1.0\n2.006672 -5.447890 0.000000\n2.006672 5.447890 0.000000\n0.000000 0.000000 3.936683\nK H O\n2 2 2\ndirect\n0.643043 0.356957 0.237191 K\n0.356957 0.643043 0.737191 K\n0.960984 0.039016 0.101659 H\n0.039016 0.960984 0.601659 H\n0.889803 0.110197 0.255735 O\n0.110197 0.889803 0.755735 O\n",
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{
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"created_at": "2022-09-04T14:41:22.987840Z",
"structure_string": "Se3 S21\n1.0\n5.088822 0.000000 0.000000\n-0.023020 9.607243 0.000000\n-0.040134 -0.058805 15.561070\nSe S\n3 21\ndirect\n0.488840 0.180381 0.386995 Se\n0.510973 0.819530 0.387075 Se\n0.989515 0.319216 0.113481 Se\n0.720888 0.227671 0.505995 S\n0.279447 0.772153 0.505633 S\n0.220961 0.273195 0.994705 S\n0.788067 0.730049 0.999342 S\n0.270165 0.375859 0.356272 S\n0.730715 0.624365 0.355902 S\n0.770410 0.122986 0.142999 S\n0.221417 0.869457 0.140013 S\n0.720397 0.630186 0.640651 S\n0.279447 0.369744 0.640337 S\n0.220434 0.870311 0.860357 S\n0.779268 0.129366 0.859444 S\n0.011010 0.691455 0.108729 S\n0.507005 0.808611 0.613405 S\n0.493496 0.191382 0.613276 S\n0.009816 0.691897 0.890158 S\n0.993715 0.308353 0.886881 S\n0.499499 0.499574 0.277988 S\n0.996398 0.995424 0.219928 S\n0.500175 0.500404 0.718892 S\n0.997942 0.998429 0.781543 S\n",
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{
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"structure_string": "Mo2 H16 N4 O10 F4\n1.0\n-5.956646 0.000000 0.000000\n-0.011866 -7.621320 0.000000\n2.742899 0.978100 8.314198\nMo H N O F\n2 16 4 10 4\ndirect\n0.849466 0.754257 0.742401 Mo\n0.150534 0.245743 0.257599 Mo\n0.680417 0.284859 0.478756 H\n0.319583 0.715141 0.521244 H\n0.838080 0.177843 0.636107 H\n0.161920 0.822157 0.363893 H\n0.573095 0.338805 0.937816 H\n0.426905 0.661195 0.062184 H\n0.940861 0.379116 0.609388 H\n0.059139 0.620884 0.390612 H\n0.450929 0.782252 0.926282 H\n0.549071 0.217748 0.073718 H\n0.542799 0.862329 0.116797 H\n0.457201 0.137671 0.883203 H\n0.501277 0.618177 0.369533 H\n0.498723 0.381823 0.630467 H\n0.781987 0.710133 0.005202 H\n0.218013 0.289867 0.994798 H\n0.790179 0.302439 0.598294 N\n0.209821 0.697561 0.401706 N\n0.536714 0.751191 0.039224 N\n0.463286 0.248809 0.960776 N\n0.961004 0.960988 0.658110 O\n0.038996 0.039012 0.341890 O\n0.024044 0.972251 0.834973 O\n0.975956 0.027749 0.165027 O\n0.918127 0.694008 0.951593 O\n0.081873 0.305992 0.048407 O\n0.673723 0.399828 0.697387 O\n0.326277 0.600172 0.302613 O\n0.550437 0.793225 0.712261 O\n0.449563 0.206775 0.287739 O\n0.734686 0.661986 0.493660 F\n0.265314 0.338014 0.506340 F\n0.092199 0.585758 0.713477 F\n0.907801 0.414242 0.286523 F\n",
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{
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"structure_string": "Sc4 P8 H20 O36\n1.0\n8.651416 0.000000 0.000000\n0.000000 5.359618 0.000000\n0.000000 1.744119 14.794736\nSc P H O\n4 8 20 36\ndirect\n0.533598 0.732386 0.148193 Sc\n0.466402 0.267614 0.851807 Sc\n0.033598 0.267614 0.351807 Sc\n0.966402 0.732386 0.648193 Sc\n0.829463 0.733337 0.444087 P\n0.170537 0.266663 0.555913 P\n0.329463 0.266663 0.055913 P\n0.670537 0.733337 0.944087 P\n0.251860 0.791463 0.306067 P\n0.748140 0.208537 0.693933 P\n0.751860 0.208537 0.193933 P\n0.248140 0.791463 0.806067 P\n0.446666 0.901770 0.597855 H\n0.553334 0.098230 0.402145 H\n0.946666 0.098230 0.902145 H\n0.053334 0.901770 0.097855 H\n0.710876 0.241568 0.046585 H\n0.289124 0.758432 0.953415 H\n0.210876 0.758432 0.453415 H\n0.789124 0.241568 0.546585 H\n0.485291 0.668198 0.675928 H\n0.514709 0.331802 0.324072 H\n0.985291 0.331802 0.824072 H\n0.014709 0.668198 0.175928 H\n0.680803 0.844687 0.326017 H\n0.319197 0.155313 0.673983 H\n0.180803 0.155313 0.173983 H\n0.819197 0.844687 0.826017 H\n0.883300 0.741129 0.088100 H\n0.116700 0.258871 0.911900 H\n0.383300 0.258871 0.411900 H\n0.616700 0.741129 0.588100 H\n0.701485 0.932582 0.220746 O\n0.298515 0.067418 0.779254 O\n0.201485 0.067418 0.279254 O\n0.798515 0.932582 0.720746 O\n0.797610 0.239996 0.089606 O\n0.202390 0.760004 0.910394 O\n0.297610 0.760004 0.410394 O\n0.702390 0.239996 0.589606 O\n0.997261 0.736583 0.110747 O\n0.002739 0.263417 0.889253 O\n0.497261 0.263417 0.389253 O\n0.502739 0.736583 0.610747 O\n0.871018 0.466280 0.424288 O\n0.128982 0.533720 0.575712 O\n0.371018 0.533720 0.075712 O\n0.628982 0.466280 0.924288 O\n0.670108 0.825222 0.394798 O\n0.329892 0.174778 0.605202 O\n0.170108 0.174778 0.105202 O\n0.829892 0.825222 0.894798 O\n0.623552 0.392173 0.215440 O\n0.376448 0.607827 0.784560 O\n0.123552 0.607827 0.284560 O\n0.876448 0.392173 0.715440 O\n0.956048 0.921897 0.411327 O\n0.043952 0.078103 0.588673 O\n0.456048 0.078103 0.088673 O\n0.543952 0.921897 0.911327 O\n0.402862 0.731224 0.260683 O\n0.597138 0.268776 0.739317 O\n0.902862 0.268776 0.239317 O\n0.097138 0.731224 0.760683 O\n0.709561 0.741389 0.045366 O\n0.290439 0.258611 0.954634 O\n0.209561 0.258611 0.454634 O\n0.790439 0.741389 0.545366 O\n",
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{
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"structure_string": "Mg1 H4 C4 S4 O12 F12\n1.0\n-5.277831 -0.034071 1.066249\n0.382136 -0.244993 -9.033752\n-0.125546 -11.798350 -0.327663\nMg H C S O F\n1 4 4 4 12 12\ndirect\n0.913725 0.478237 0.841812 Mg\n0.511162 0.514232 0.741737 H\n0.954691 0.942280 0.771272 H\n0.502235 0.489311 0.249766 H\n0.989692 0.975350 0.257376 H\n0.510628 0.872391 0.956005 C\n0.879298 0.232489 0.554967 C\n0.568202 0.259861 0.058636 C\n0.080852 0.757232 0.445773 C\n0.599985 0.759878 0.813735 S\n0.046992 0.248332 0.693743 S\n0.439215 0.252619 0.209246 S\n0.931242 0.733852 0.302335 S\n0.675081 0.580399 0.765410 O\n0.109632 0.101951 0.715908 O\n0.365909 0.408052 0.213804 O\n0.845979 0.887234 0.284770 O\n0.894866 0.836905 0.811540 O\n0.261823 0.380264 0.675215 O\n0.205162 0.135681 0.208361 O\n0.697771 0.615632 0.318521 O\n0.466933 0.810510 0.719368 O\n0.851529 0.276291 0.775241 O\n0.643770 0.239834 0.282314 O\n0.126757 0.721095 0.222909 O\n0.263949 0.837077 0.983930 F\n0.792680 0.358714 0.531402 F\n0.724972 0.164971 0.054795 F\n0.183058 0.638057 0.471180 F\n0.216766 0.535852 0.910052 F\n0.681634 0.109074 0.559332 F\n0.710175 0.404651 0.024507 F\n0.266857 0.887306 0.440087 F\n0.630072 0.828196 0.046423 F\n0.047978 0.219531 0.472482 F\n0.379358 0.220491 0.985399 F\n0.904372 0.764737 0.525092 F\n",
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