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{
"id": "mp-1228511",
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"structure_string": "Ba4 Ti8 Cr4 O26\n1.0\n-7.516090 -1.975177 1.088908\n0.000011 7.900590 -0.000140\n0.007922 3.950458 -9.239091\nBa Ti Cr O\n4 8 4 26\ndirect\n0.896288 0.110245 0.227642 Ba\n0.896285 0.610247 0.227655 Ba\n0.103699 0.889760 0.772338 Ba\n0.103708 0.389747 0.772347 Ba\n0.247602 0.018321 0.086980 Ti\n0.247622 0.518330 0.086990 Ti\n0.752383 0.981674 0.913007 Ti\n0.752404 0.481679 0.913020 Ti\n0.332094 0.864449 0.437149 Ti\n0.332095 0.364446 0.437150 Ti\n0.667903 0.135551 0.562852 Ti\n0.667910 0.635552 0.562853 Ti\n0.489735 0.742552 0.759730 Cr\n0.510255 0.757441 0.240284 Cr\n0.489766 0.242572 0.759742 Cr\n0.510235 0.257435 0.240268 Cr\n0.000003 0.500001 0.000002 O\n0.000002 0.999999 0.999995 O\n0.602108 0.864762 0.571520 O\n0.602119 0.364765 0.571525 O\n0.397874 0.135233 0.428476 O\n0.397888 0.635238 0.428477 O\n0.260464 0.756006 0.618154 O\n0.260482 0.256013 0.618162 O\n0.739516 0.243984 0.381836 O\n0.739539 0.743988 0.381852 O\n0.338156 0.625355 0.918387 O\n0.338159 0.125359 0.918388 O\n0.661844 0.374644 0.081614 O\n0.661854 0.874645 0.081614 O\n0.736979 0.741774 0.884859 O\n0.736989 0.241780 0.884866 O\n0.263013 0.258224 0.115129 O\n0.263028 0.758228 0.115137 O\n0.136273 0.881774 0.304624 O\n0.136272 0.381770 0.304628 O\n0.863727 0.118232 0.695372 O\n0.863728 0.618222 0.695375 O\n0.472829 0.996976 0.242454 O\n0.472832 0.496978 0.242455 O\n0.527171 0.003025 0.757547 O\n0.527169 0.503024 0.757547 O\n",
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{
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"structure_string": "Li4 Ti2 Si2 O10\n1.0\n6.476632 0.000000 0.000000\n0.000000 6.476632 0.000000\n0.000000 0.000000 4.491413\nLi Ti Si O\n4 2 2 10\ndirect\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.250000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.500000 0.000000 0.906857 Ti\n0.000000 0.500000 0.093143 Ti\n0.500000 0.500000 0.000000 Si\n0.000000 0.000000 0.000000 Si\n0.500000 0.000000 0.289946 O\n0.000000 0.500000 0.710054 O\n0.500000 0.294714 0.783960 O\n0.500000 0.705286 0.783960 O\n0.705286 0.500000 0.216040 O\n0.000000 0.794714 0.216040 O\n0.000000 0.205286 0.216040 O\n0.294714 0.500000 0.216040 O\n0.794714 0.000000 0.783960 O\n0.205286 0.000000 0.783960 O\n",
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"formula_full": "Li4 Ti2 Si2 O10",
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"spacegroup": 129
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{
"id": "mp-1222119",
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"structure_string": "Mg6 Al6 Cu6\n1.0\n12.495305 -2.626923 0.000000\n12.495305 2.626923 0.000000\n11.943039 0.000000 4.516324\nMg Al Cu\n6 6 6\ndirect\n0.268990 0.268990 0.268990 Mg\n0.731010 0.731010 0.731010 Mg\n0.961777 0.961777 0.961777 Mg\n0.038223 0.038223 0.038223 Mg\n0.819066 0.819066 0.819066 Mg\n0.180934 0.180934 0.180934 Mg\n0.276485 0.276485 0.777908 Al\n0.777908 0.276485 0.276485 Al\n0.276485 0.777908 0.276485 Al\n0.723515 0.723515 0.222092 Al\n0.222092 0.723515 0.723515 Al\n0.723515 0.222092 0.723515 Al\n0.611640 0.611640 0.611640 Cu\n0.388360 0.388360 0.388360 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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{
"id": "mp-1101318",
"created_at": "2022-09-04T14:40:21.315994Z",
"structure_string": "Ti3 Cr2 Sn1 P6 O24\n1.0\n7.651628 -4.338066 0.000000\n7.651628 4.338066 0.000000\n5.192175 0.000000 7.099827\nTi Cr Sn P O\n3 2 1 6 24\ndirect\n0.855639 0.855639 0.855639 Ti\n0.644776 0.644776 0.644776 Ti\n0.356120 0.356121 0.356121 Ti\n0.997630 0.997630 0.997630 Cr\n0.500776 0.500776 0.500776 Cr\n0.144320 0.144320 0.144320 Sn\n0.461433 0.041085 0.747306 P\n0.041085 0.747306 0.461433 P\n0.747306 0.461433 0.041085 P\n0.251486 0.544879 0.956761 P\n0.956761 0.251486 0.544879 P\n0.544879 0.956761 0.251486 P\n0.695183 0.499856 0.879606 O\n0.499856 0.879606 0.695183 O\n0.083812 0.733220 0.940119 O\n0.879606 0.695183 0.499856 O\n0.199405 0.387178 0.985028 O\n0.418164 0.563369 0.767852 O\n0.940119 0.083812 0.733220 O\n0.767852 0.418164 0.563369 O\n0.620031 0.002863 0.803809 O\n0.563369 0.767852 0.418164 O\n0.268450 0.056031 0.913672 O\n0.002863 0.803809 0.620031 O\n0.985028 0.199405 0.387178 O\n0.733220 0.940119 0.083812 O\n0.441701 0.231369 0.582084 O\n0.387178 0.985028 0.199405 O\n0.231369 0.582084 0.441701 O\n0.056031 0.913672 0.268450 O\n0.582084 0.441701 0.231369 O\n0.803809 0.620031 0.002863 O\n0.122093 0.302428 0.500464 O\n0.913672 0.268450 0.056031 O\n0.500464 0.122093 0.302428 O\n0.302428 0.500464 0.122093 O\n",
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"formula_full": "Ti3 Cr2 Sn1 P6 O24",
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"spacegroup": 146
},
{
"id": "mp-775008",
"created_at": "2022-09-04T14:40:21.317291Z",
"structure_string": "V3 Cr1 P6 O24\n1.0\n7.629285 -4.264149 0.000000\n7.629285 4.264149 0.000000\n5.245973 0.000000 6.990617\nV Cr P O\n3 1 6 24\ndirect\n0.859939 0.859939 0.859939 V\n0.641191 0.641191 0.641191 V\n0.360784 0.360784 0.360784 V\n0.141727 0.141727 0.141727 Cr\n0.531226 0.967819 0.250165 P\n0.250165 0.531226 0.967819 P\n0.967819 0.250165 0.531226 P\n0.032096 0.751674 0.466731 P\n0.751674 0.466731 0.032096 P\n0.466731 0.032096 0.751674 P\n0.503309 0.860987 0.712096 O\n0.860987 0.712096 0.503309 O\n0.716719 0.937800 0.073284 O\n0.712096 0.503309 0.860987 O\n0.570820 0.783744 0.424086 O\n0.363189 0.984444 0.228657 O\n0.073284 0.716719 0.937800 O\n0.424086 0.570820 0.783744 O\n0.783744 0.424086 0.570820 O\n0.004692 0.775580 0.644183 O\n0.056563 0.919704 0.286105 O\n0.775580 0.644183 0.004692 O\n0.228657 0.363189 0.984444 O\n0.937800 0.073284 0.716719 O\n0.984444 0.228657 0.363189 O\n0.213952 0.568816 0.443716 O\n0.568816 0.443716 0.213952 O\n0.919704 0.286105 0.056563 O\n0.644183 0.004692 0.775580 O\n0.443716 0.213952 0.568816 O\n0.277142 0.504871 0.142187 O\n0.286105 0.056563 0.919704 O\n0.142187 0.277142 0.504871 O\n0.504871 0.142187 0.277142 O\n",
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],
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"formula_full": "V3 Cr1 P6 O24",
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{
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"structure_string": "Y1 Sc1 Pt2\n1.0\n-4.988985 6.176698 8.861230\n4.988985 -6.176698 8.861230\n4.988985 6.176698 -8.861230\nY Sc Pt\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sc\n0.000000 0.244608 0.244608 Pt\n0.000000 0.755392 0.755392 Pt\n",
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{
"id": "mp-1361380",
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"structure_string": "Ba4 Fe4 Cu2 F28\n1.0\n2.731867 7.109826 0.000000\n-2.731867 7.109826 0.000000\n0.000000 0.288214 15.210960\nBa Fe Cu F\n4 4 2 28\ndirect\n0.124537 0.237363 0.868139 Ba\n0.237363 0.124537 0.368139 Ba\n0.875463 0.762637 0.131861 Ba\n0.762637 0.875463 0.631861 Ba\n0.107648 0.137005 0.630095 Fe\n0.892352 0.862995 0.369905 Fe\n0.137005 0.107648 0.130095 Fe\n0.862995 0.892352 0.869905 Fe\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.943979 0.057986 0.152343 F\n0.896911 0.370912 0.046993 F\n0.103089 0.629088 0.953007 F\n0.644358 0.863518 0.915509 F\n0.611532 0.506580 0.898332 F\n0.493420 0.388468 0.601668 F\n0.370912 0.896911 0.546993 F\n0.942014 0.056021 0.347657 F\n0.369751 0.989678 0.718112 F\n0.355642 0.136482 0.084491 F\n0.843623 0.405818 0.706170 F\n0.136482 0.355642 0.584491 F\n0.405818 0.843623 0.206170 F\n0.156377 0.594182 0.293830 F\n0.506580 0.611532 0.398332 F\n0.630249 0.010322 0.281888 F\n0.159650 0.685523 0.481013 F\n0.056021 0.942014 0.847657 F\n0.840350 0.314477 0.518987 F\n0.685523 0.159650 0.981013 F\n0.629088 0.103089 0.453007 F\n0.594182 0.156377 0.793830 F\n0.989678 0.369751 0.218112 F\n0.314477 0.840350 0.018987 F\n0.388468 0.493420 0.101668 F\n0.057986 0.943979 0.652343 F\n0.010322 0.630249 0.781888 F\n0.863518 0.644358 0.415509 F\n",
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{
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"structure_string": "Li2 Cu3 F8\n1.0\n5.595303 0.000000 0.000000\n2.378280 5.102744 0.000000\n1.538833 1.013102 5.374552\nLi Cu F\n2 3 8\ndirect\n0.373969 0.423068 0.814883 Li\n0.585120 0.616191 0.181820 Li\n0.068566 0.262951 0.432414 Cu\n0.022252 0.975740 0.001807 Cu\n0.724207 0.928804 0.570499 Cu\n0.308555 0.250420 0.135580 F\n0.320931 0.243360 0.615125 F\n0.223619 0.765517 0.248470 F\n0.244769 0.784123 0.752595 F\n0.804611 0.199778 0.264736 F\n0.797333 0.190687 0.738250 F\n0.762964 0.677767 0.380367 F\n0.762928 0.681596 0.863456 F\n",
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{
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{
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