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{
"id": "mp-530557",
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"structure_string": "Ti10 Mn20 O40\n1.0\n5.381712 0.081784 3.061564\n1.872650 5.030005 3.059116\n0.004468 -0.012280 30.608501\nTi Mn O\n10 20 40\ndirect\n0.008607 0.000095 0.999534 Ti\n0.131531 0.620428 0.125415 Ti\n0.620469 0.130481 0.125636 Ti\n0.125601 0.625669 0.324859 Ti\n0.625662 0.125488 0.324885 Ti\n0.125525 0.624983 0.524904 Ti\n0.625503 0.125246 0.524919 Ti\n0.126177 0.625076 0.724361 Ti\n0.626436 0.125332 0.724818 Ti\n0.143362 0.624865 0.920893 Ti\n0.242307 0.246442 0.051104 Mn\n0.240291 0.241314 0.252579 Mn\n0.631509 0.625380 0.024466 Mn\n0.008516 0.008141 0.197706 Mn\n0.626418 0.627908 0.124476 Mn\n0.626642 0.626149 0.224658 Mn\n0.241193 0.241953 0.451637 Mn\n0.009065 0.008137 0.398268 Mn\n0.625343 0.625358 0.324984 Mn\n0.241482 0.241154 0.651554 Mn\n0.009436 0.008021 0.598177 Mn\n0.625421 0.625316 0.424900 Mn\n0.625069 0.624987 0.525016 Mn\n0.238707 0.253524 0.849577 Mn\n0.007719 0.001165 0.800800 Mn\n0.626035 0.625065 0.624790 Mn\n0.626431 0.624677 0.724887 Mn\n0.626493 0.128072 0.925364 Mn\n0.629791 0.624818 0.824302 Mn\n0.625285 0.622021 0.925473 Mn\n0.376725 0.374427 0.080869 O\n0.371627 0.372335 0.170401 O\n0.361636 0.835492 0.080941 O\n0.833270 0.360974 0.081673 O\n0.373502 0.373085 0.281210 O\n0.418595 0.887158 0.168586 O\n0.371770 0.372004 0.369723 O\n0.888291 0.418792 0.168292 O\n0.883560 0.882371 0.075454 O\n0.364377 0.833774 0.280550 O\n0.833410 0.364853 0.280511 O\n0.877482 0.876626 0.168347 O\n0.372199 0.371269 0.481531 O\n0.417216 0.884744 0.369688 O\n0.372209 0.372155 0.569620 O\n0.885311 0.416849 0.369639 O\n0.879116 0.878911 0.279859 O\n0.364912 0.833175 0.480201 O\n0.833001 0.365221 0.480165 O\n0.877497 0.877820 0.368589 O\n0.373077 0.369485 0.681355 O\n0.417575 0.883332 0.570125 O\n0.376325 0.373621 0.768171 O\n0.884810 0.416582 0.569896 O\n0.366349 0.832519 0.679593 O\n0.878090 0.877667 0.480278 O\n0.833784 0.365980 0.679328 O\n0.878013 0.877962 0.568502 O\n0.419762 0.880603 0.770933 O\n0.354808 0.395946 0.878703 O\n0.886452 0.413247 0.770387 O\n0.354567 0.395316 0.970508 O\n0.878563 0.875834 0.680188 O\n0.355678 0.844844 0.878328 O\n0.839288 0.393032 0.874739 O\n0.880866 0.880285 0.767640 O\n0.375793 0.870503 0.975933 O\n0.886966 0.374735 0.974590 O\n0.876831 0.852042 0.883989 O\n0.884674 0.867163 0.976022 O\n",
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"formula_full": "Ti10 Mn20 O40",
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"energy": -643.40648157,
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"spacegroup": 1
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{
"id": "mp-26554",
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"structure_string": "Mn6 P8 O28\n1.0\n-4.294560 6.707918 -0.307243\n-5.614259 -0.047701 6.189423\n7.556461 6.098504 2.764620\nMn P O\n6 8 28\ndirect\n0.999319 0.000065 0.999938 Mn\n0.060482 0.662691 0.474044 Mn\n0.941415 0.336923 0.525568 Mn\n0.500284 0.999745 0.500121 Mn\n0.559761 0.662592 0.974550 Mn\n0.439301 0.337515 0.026091 Mn\n0.509646 0.925509 0.797310 P\n0.009462 0.926754 0.297931 P\n0.990328 0.074501 0.702721 P\n0.490310 0.073456 0.202108 P\n0.609760 0.308067 0.700984 P\n0.108899 0.307051 0.201256 P\n0.890372 0.691890 0.798947 P\n0.391008 0.692863 0.298688 P\n0.529159 0.423822 0.864638 O\n0.028771 0.420959 0.365215 O\n0.971019 0.575888 0.635364 O\n0.471160 0.578836 0.134785 O\n0.675248 0.416760 0.628910 O\n0.172843 0.417565 0.130499 O\n0.825089 0.583158 0.871138 O\n0.327128 0.582385 0.369533 O\n0.510114 0.883427 0.637593 O\n0.009761 0.885096 0.138284 O\n0.989712 0.116721 0.862465 O\n0.489719 0.115212 0.361789 O\n0.723237 0.870098 0.807261 O\n0.222782 0.871252 0.308237 O\n0.776900 0.129714 0.692521 O\n0.277089 0.128567 0.191528 O\n0.026045 0.769753 0.862249 O\n0.526633 0.770514 0.362264 O\n0.474016 0.230263 0.637653 O\n0.973163 0.229570 0.137631 O\n0.578071 0.871351 0.116911 O\n0.079078 0.873365 0.617397 O\n0.922151 0.128885 0.383165 O\n0.421142 0.126705 0.882561 O\n0.067302 0.189534 0.642770 O\n0.569123 0.186622 0.141988 O\n0.432774 0.810556 0.857326 O\n0.930422 0.813797 0.358070 O\n",
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"formula_full": "Mn6 P8 O28",
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{
"id": "mp-1187317",
"created_at": "2022-09-04T14:45:14.220108Z",
"structure_string": "Sr8 Nb4 O18\n1.0\n5.932708 0.000000 0.000000\n-2.961807 5.172470 0.000000\n-0.006157 -0.003030 15.811857\nSr Nb O\n8 4 18\ndirect\n0.336735 0.640853 0.133059 Sr\n0.663265 0.359147 0.866941 Sr\n0.003710 0.991163 0.252430 Sr\n0.996290 0.008837 0.747570 Sr\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.665839 0.339655 0.643467 Sr\n0.334161 0.660345 0.356533 Sr\n0.668742 0.324447 0.343639 Nb\n0.331258 0.675553 0.656361 Nb\n0.336931 0.694335 0.849105 Nb\n0.663069 0.305665 0.150895 Nb\n0.652390 0.927564 0.605349 O\n0.347610 0.072436 0.394651 O\n0.076212 0.738030 0.605089 O\n0.923788 0.261970 0.394911 O\n0.272541 0.362373 0.603283 O\n0.727459 0.637627 0.396717 O\n0.960216 0.544096 0.247643 O\n0.039784 0.455904 0.752357 O\n0.449366 0.393765 0.243798 O\n0.550634 0.606235 0.756202 O\n0.588322 0.015838 0.250444 O\n0.411678 0.984162 0.749556 O\n0.353743 0.046779 0.097933 O\n0.646257 0.953221 0.902067 O\n0.926336 0.232129 0.112211 O\n0.073664 0.767871 0.887789 O\n0.722367 0.599024 0.086149 O\n0.277633 0.400976 0.913851 O\n",
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{
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"created_at": "2022-09-04T14:45:14.230310Z",
"structure_string": "Li4 Ag4 F16\n1.0\n4.854657 0.000000 0.000000\n0.000000 5.645234 0.000000\n0.000000 0.000000 11.332245\nLi Ag F\n4 4 16\ndirect\n0.000000 0.250000 0.062354 Li\n0.000000 0.750000 0.937646 Li\n0.500000 0.250000 0.562354 Li\n0.500000 0.750000 0.437646 Li\n0.000000 0.250000 0.331114 Ag\n0.000000 0.750000 0.668886 Ag\n0.500000 0.250000 0.831114 Ag\n0.500000 0.750000 0.168886 Ag\n0.216896 0.385987 0.199969 F\n0.216896 0.885987 0.800031 F\n0.250264 0.903286 0.050157 F\n0.250264 0.403286 0.949843 F\n0.249736 0.403286 0.449843 F\n0.249736 0.903286 0.550157 F\n0.283104 0.885987 0.300031 F\n0.283104 0.385987 0.699969 F\n0.716896 0.614013 0.300031 F\n0.716896 0.114013 0.699969 F\n0.750264 0.096714 0.449843 F\n0.750264 0.596714 0.550157 F\n0.749736 0.596714 0.050157 F\n0.749736 0.096714 0.949843 F\n0.783104 0.114013 0.199969 F\n0.783104 0.614013 0.800031 F\n",
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{
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"structure_string": "Sm12 Fe20 O48\n1.0\n-6.346195 6.346195 6.346195\n6.346195 -6.346195 6.346195\n6.346195 6.346195 -6.346195\nSm Fe O\n12 20 48\ndirect\n0.375000 0.750000 0.125000 Sm\n0.250000 0.375000 0.125000 Sm\n0.750000 0.125000 0.375000 Sm\n0.375000 0.125000 0.250000 Sm\n0.125000 0.375000 0.750000 Sm\n0.125000 0.250000 0.375000 Sm\n0.625000 0.250000 0.875000 Sm\n0.750000 0.625000 0.875000 Sm\n0.250000 0.875000 0.625000 Sm\n0.625000 0.875000 0.750000 Sm\n0.875000 0.625000 0.250000 Sm\n0.875000 0.750000 0.625000 Sm\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.000000 0.000000 0.500000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.625000 0.750000 0.375000 Fe\n0.250000 0.625000 0.375000 Fe\n0.750000 0.875000 0.125000 Fe\n0.625000 0.375000 0.250000 Fe\n0.125000 0.750000 0.875000 Fe\n0.875000 0.250000 0.125000 Fe\n0.750000 0.375000 0.625000 Fe\n0.125000 0.875000 0.250000 Fe\n0.250000 0.125000 0.875000 Fe\n0.375000 0.625000 0.750000 Fe\n0.375000 0.250000 0.625000 Fe\n0.875000 0.125000 0.750000 Fe\n0.527924 0.405173 0.822334 O\n0.822334 0.527924 0.405173 O\n0.794410 0.877249 0.972076 O\n0.417161 0.094827 0.622751 O\n0.877249 0.405173 0.082839 O\n0.677666 0.082839 0.705590 O\n0.822334 0.794410 0.417161 O\n0.405173 0.822334 0.527924 O\n0.622751 0.705590 0.527924 O\n0.417161 0.822334 0.794410 O\n0.405173 0.082839 0.877249 O\n0.094827 0.972076 0.677666 O\n0.972076 0.677666 0.094827 O\n0.794410 0.417161 0.822334 O\n0.527924 0.622751 0.705590 O\n0.705590 0.527924 0.622751 O\n0.082839 0.877249 0.405173 O\n0.972076 0.794410 0.877249 O\n0.082839 0.705590 0.677666 O\n0.377249 0.294410 0.472076 O\n0.622751 0.417161 0.094827 O\n0.094827 0.622751 0.417161 O\n0.705590 0.677666 0.082839 O\n0.677666 0.094827 0.972076 O\n0.472076 0.594827 0.177666 O\n0.177666 0.472076 0.594827 O\n0.205590 0.122751 0.027924 O\n0.582839 0.905173 0.377249 O\n0.122751 0.594827 0.917161 O\n0.322334 0.917161 0.294410 O\n0.177666 0.205590 0.582839 O\n0.594827 0.177666 0.472076 O\n0.322334 0.905173 0.027924 O\n0.294410 0.322334 0.917161 O\n0.905173 0.377249 0.582839 O\n0.122751 0.027924 0.205590 O\n0.377249 0.582839 0.905173 O\n0.917161 0.294410 0.322334 O\n0.027924 0.205590 0.122751 O\n0.917161 0.122751 0.594827 O\n0.294410 0.472076 0.377249 O\n0.472076 0.377249 0.294410 O\n0.205590 0.582839 0.177666 O\n0.027924 0.322334 0.905173 O\n0.905173 0.027924 0.322334 O\n0.594827 0.917161 0.122751 O\n0.582839 0.177666 0.205590 O\n0.877249 0.972076 0.794410 O\n",
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{
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{
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"structure_string": "K1 Tl1 Hg2\n1.0\n-6.225479 6.437354 8.494041\n6.225479 -6.437354 8.494041\n6.225479 6.437354 -8.494041\nK Tl Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.000000 0.500000 Tl\n0.259780 0.000000 0.259780 Hg\n0.740220 0.000000 0.740220 Hg\n",
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