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{
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"structure_string": "Li2 Nd2 Ti4 O12\n1.0\n-5.515257 0.000000 -0.041227\n-0.041506 0.000000 -5.444485\n0.000000 -7.716165 0.000000\nLi Nd Ti O\n2 2 4 12\ndirect\n0.167796 0.851637 0.500000 Li\n0.870810 0.296686 0.500000 Li\n0.787197 0.266951 0.000000 Nd\n0.272454 0.753136 0.000000 Nd\n0.269302 0.267021 0.738281 Ti\n0.269302 0.267021 0.261719 Ti\n0.754600 0.771331 0.731321 Ti\n0.754600 0.771331 0.268679 Ti\n0.456249 0.967983 0.725374 O\n0.456249 0.967983 0.274626 O\n0.514592 0.481898 0.804421 O\n0.514592 0.481898 0.195579 O\n0.961591 0.033267 0.703605 O\n0.961591 0.033267 0.296395 O\n0.014299 0.522799 0.798661 O\n0.014299 0.522799 0.201339 O\n0.222999 0.179143 0.000000 O\n0.244861 0.333737 0.500000 O\n0.750616 0.832332 0.000000 O\n0.772003 0.656077 0.500000 O\n",
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{
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{
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"structure_string": "Fe10 O11 F9\n1.0\n15.312179 0.000000 0.000000\n0.000000 4.755645 0.000000\n0.000000 0.316772 4.754102\nFe O F\n10 11 9\ndirect\n0.293946 0.996453 0.984862 Fe\n0.500000 0.000889 0.997470 Fe\n0.706054 0.996453 0.984862 Fe\n0.901054 0.957839 0.001001 Fe\n0.098946 0.957839 0.001001 Fe\n0.400346 0.496768 0.493113 Fe\n0.792780 0.538594 0.516962 Fe\n0.599654 0.496768 0.493113 Fe\n0.000000 0.541803 0.510471 Fe\n0.207220 0.538594 0.516962 Fe\n0.799382 0.809576 0.808306 O\n0.000000 0.799562 0.812922 O\n0.200618 0.809576 0.808306 O\n0.306720 0.702136 0.296581 O\n0.500000 0.695769 0.295413 O\n0.693280 0.702136 0.296581 O\n0.896852 0.686025 0.318187 O\n0.103148 0.686025 0.318187 O\n0.304569 0.306535 0.692773 O\n0.500000 0.300783 0.692352 O\n0.695431 0.306535 0.692773 O\n0.401363 0.809952 0.801257 F\n0.598637 0.809952 0.801257 F\n0.900269 0.298675 0.707387 F\n0.099731 0.298675 0.707387 F\n0.399586 0.190864 0.185167 F\n0.801073 0.193575 0.191664 F\n0.600414 0.190864 0.185167 F\n0.198927 0.193575 0.191664 F\n0.000000 0.187205 0.196853 F\n",
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{
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"structure_string": "V1 Cr3 As4\n1.0\n0.000000 -3.534575 0.000000\n-5.641766 0.000000 -0.006029\n-0.006750 0.000000 -6.272911\nV Cr As\n1 3 4\ndirect\n0.750000 0.494071 0.705579 V\n0.750000 0.994519 0.785445 Cr\n0.250000 0.505071 0.303498 Cr\n0.250000 0.006742 0.208770 Cr\n0.750000 0.298026 0.079818 As\n0.750000 0.792420 0.414744 As\n0.250000 0.707474 0.924932 As\n0.250000 0.201678 0.577214 As\n",
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"formula_full": "V1 Cr3 As4",
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{
"id": "mp-977013",
"created_at": "2022-09-04T14:42:53.735962Z",
"structure_string": "H6 Pb1 C1 I3 N1\n1.0\n6.438393 0.000000 0.000000\n0.000000 6.436724 0.000000\n0.000000 0.047528 6.491896\nH Pb C I N\n6 1 1 3 1\ndirect\n0.861056 0.159093 0.068877 H\n0.000000 0.132363 0.831772 H\n0.130429 0.796003 0.960985 H\n0.000000 0.821186 0.179809 H\n0.869571 0.796003 0.960985 H\n0.138944 0.159093 0.068877 H\n0.500000 0.524761 0.475779 Pb\n0.000000 0.095387 0.996515 C\n0.500000 0.571761 0.972436 I\n0.500000 0.038363 0.448994 I\n0.000000 0.562853 0.505784 I\n0.000000 0.865128 0.024888 N\n",
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],
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{
"id": "mp-754938",
"created_at": "2022-09-04T14:42:53.799769Z",
"structure_string": "Fe10 O15 F5\n1.0\n4.706669 -0.102336 0.000000\n-0.515819 23.390220 0.000000\n0.000000 0.000000 3.009317\nFe O F\n10 15 5\ndirect\n0.958907 0.999598 0.000000 Fe\n0.063707 0.195489 0.000000 Fe\n0.033023 0.396495 0.000000 Fe\n0.006613 0.596475 0.000000 Fe\n0.987039 0.795580 0.000000 Fe\n0.545611 0.105526 0.500000 Fe\n0.507385 0.303050 0.500000 Fe\n0.481736 0.502680 0.500000 Fe\n0.465798 0.703412 0.500000 Fe\n0.441073 0.904327 0.500000 Fe\n0.243025 0.159527 0.500000 O\n0.204752 0.359032 0.500000 O\n0.188185 0.559984 0.500000 O\n0.138800 0.963791 0.500000 O\n0.176351 0.762531 0.500000 O\n0.312879 0.458912 0.000000 O\n0.297681 0.660358 0.000000 O\n0.272717 0.863264 0.000000 O\n0.348397 0.259733 0.000000 O\n0.739104 0.139892 0.000000 O\n0.711708 0.337552 0.000000 O\n0.676643 0.738816 0.000000 O\n0.633772 0.941142 0.000000 O\n0.693621 0.536702 0.000000 O\n0.806987 0.041496 0.500000 O\n0.319750 0.061477 0.000000 F\n0.854393 0.237296 0.500000 F\n0.815689 0.436740 0.500000 F\n0.796195 0.638551 0.500000 F\n0.778460 0.840573 0.500000 F\n",
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{
"id": "mp-1178492",
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"structure_string": "Cu3 Sn1 P4 O16\n1.0\n6.065136 0.000000 0.000000\n0.000000 5.135299 0.000000\n0.000000 0.413453 9.977612\nCu Sn P O\n3 1 4 16\ndirect\n0.500000 0.871430 0.308741 Cu\n0.500000 0.646830 0.809941 Cu\n0.000000 0.371706 0.195656 Cu\n0.000000 0.045711 0.710671 Sn\n0.000000 0.910066 0.388737 P\n0.000000 0.578834 0.899862 P\n0.500000 0.438951 0.112394 P\n0.500000 0.080091 0.597677 P\n0.000000 0.839695 0.543043 O\n0.199528 0.775170 0.323453 O\n0.800472 0.775170 0.323453 O\n0.500000 0.785514 0.634136 O\n0.500000 0.734732 0.137060 O\n0.191130 0.743322 0.826612 O\n0.808870 0.743322 0.826612 O\n0.000000 0.615932 0.049942 O\n0.500000 0.413596 0.957800 O\n0.698643 0.287580 0.175981 O\n0.301357 0.287580 0.175981 O\n0.000000 0.288453 0.869696 O\n0.000000 0.210280 0.369274 O\n0.704170 0.221283 0.659635 O\n0.295830 0.221283 0.659635 O\n0.500000 0.113469 0.444007 O\n",
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{
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"structure_string": "Li4 Mn1 Cr3 P4 O16\n1.0\n6.316253 0.000000 0.000000\n0.000000 4.779236 0.000000\n0.000000 0.116994 10.326012\nLi Mn Cr P O\n4 1 3 4 16\ndirect\n0.250801 0.996452 0.997954 Li\n0.749199 0.996452 0.997954 Li\n0.748387 0.500257 0.501285 Li\n0.251613 0.500257 0.501285 Li\n0.500000 0.969506 0.281950 Mn\n0.500000 0.548658 0.784469 Cr\n0.000000 0.449521 0.215459 Cr\n0.000000 0.050794 0.715001 Cr\n0.000000 0.915711 0.406258 P\n0.000000 0.580106 0.905763 P\n0.500000 0.417160 0.090901 P\n0.500000 0.086186 0.596193 P\n0.000000 0.806745 0.549517 O\n0.198901 0.784805 0.340439 O\n0.801099 0.784805 0.340439 O\n0.500000 0.761347 0.601679 O\n0.500000 0.739600 0.093705 O\n0.197613 0.713245 0.839314 O\n0.802387 0.713245 0.839314 O\n0.000000 0.688945 0.048185 O\n0.500000 0.299586 0.950373 O\n0.695395 0.282982 0.161113 O\n0.304605 0.282982 0.161113 O\n0.000000 0.255783 0.899033 O\n0.000000 0.240024 0.397752 O\n0.697543 0.213796 0.664047 O\n0.302457 0.213796 0.664047 O\n0.500000 0.207255 0.455457 O\n",
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{
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"structure_string": "Li2 V6 O16\n1.0\n3.623095 0.000000 0.000000\n0.000000 6.969861 0.000000\n0.000000 3.213030 12.051885\nLi V O\n2 6 16\ndirect\n0.500000 0.542515 0.040501 Li\n0.500000 0.354825 0.301712 Li\n0.500000 0.259606 0.800273 V\n0.000000 0.693807 0.462758 V\n0.500000 0.139571 0.072809 V\n0.000000 0.877245 0.922424 V\n0.500000 0.315667 0.547784 V\n0.000000 0.763070 0.202620 V\n0.000000 0.179205 0.829983 O\n0.500000 0.329194 0.951154 O\n0.500000 0.604724 0.455732 O\n0.500000 0.487608 0.727487 O\n0.000000 0.866914 0.323777 O\n0.000000 0.056155 0.078294 O\n0.000000 0.827002 0.549151 O\n0.000000 0.753281 0.830360 O\n0.500000 0.277131 0.164191 O\n0.500000 0.190388 0.453448 O\n0.500000 0.952327 0.935049 O\n0.500000 0.142067 0.678764 O\n0.000000 0.522382 0.271327 O\n0.000000 0.405712 0.548991 O\n0.000000 0.681173 0.051492 O\n0.500000 0.830265 0.172014 O\n",
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{
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"structure_string": "Mn3 Co1 P4 O16\n1.0\n6.024426 0.000000 0.000000\n0.000000 4.895832 0.000000\n0.000000 0.039026 9.820499\nMn Co P O\n3 1 4 16\ndirect\n0.000000 0.432771 0.785526 Mn\n0.500000 0.558941 0.220416 Mn\n0.500000 0.934199 0.714382 Mn\n0.000000 0.033216 0.275470 Co\n0.500000 0.088107 0.398271 P\n0.500000 0.418323 0.900928 P\n0.000000 0.581009 0.099928 P\n0.000000 0.919112 0.599758 P\n0.500000 0.147105 0.552700 O\n0.297714 0.229678 0.328769 O\n0.702286 0.229678 0.328769 O\n0.000000 0.230189 0.619568 O\n0.000000 0.270198 0.121965 O\n0.300095 0.275041 0.829373 O\n0.699905 0.275041 0.829373 O\n0.500000 0.355207 0.054449 O\n0.000000 0.648261 0.947108 O\n0.801395 0.729789 0.171583 O\n0.198605 0.729789 0.171583 O\n0.500000 0.730146 0.880914 O\n0.500000 0.773568 0.381781 O\n0.800387 0.774938 0.671127 O\n0.199613 0.774938 0.671127 O\n0.000000 0.860757 0.445134 O\n",
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{
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{
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"structure_string": "Li3 Ti4 O8\n1.0\n2.945733 0.000000 0.000000\n0.000000 5.126223 0.000000\n0.000000 0.422363 9.923476\nLi Ti O\n3 4 8\ndirect\n0.000000 0.586101 0.085823 Li\n0.500000 0.426419 0.903729 Li\n0.500000 0.070693 0.456639 Li\n0.000000 0.940849 0.855332 Ti\n0.000000 0.547529 0.365461 Ti\n0.500000 0.460396 0.633820 Ti\n0.500000 0.060343 0.137563 Ti\n0.000000 0.839942 0.226305 O\n0.500000 0.776921 0.983307 O\n0.500000 0.709394 0.474073 O\n0.000000 0.635588 0.744620 O\n0.500000 0.338023 0.271332 O\n0.000000 0.280650 0.525707 O\n0.000000 0.232173 0.016207 O\n0.500000 0.155377 0.771281 O\n",
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"formula_full": "Li3 Ti4 O8",
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}