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{
"id": "mp-1046683",
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"structure_string": "Mg4 Mn4 Si4 O20\n1.0\n3.205850 -0.010724 -4.161928\n2.897426 -6.297555 -0.012663\n-6.705215 -6.288550 -4.160827\nMg Mn Si O\n4 4 4 20\ndirect\n0.506299 0.905298 0.334718 Mg\n0.006333 0.405336 0.834749 Mg\n0.496522 0.079169 0.665077 Mg\n0.996547 0.579285 0.165111 Mg\n0.000989 0.993307 0.500252 Mn\n0.500345 0.993625 0.000223 Mn\n0.500892 0.493371 0.000262 Mn\n0.000439 0.493535 0.500277 Mn\n0.481389 0.583054 0.660481 Si\n0.981308 0.083076 0.160481 Si\n0.519785 0.403648 0.340194 Si\n0.019708 0.903677 0.840204 Si\n0.133426 0.198715 0.544619 O\n0.633406 0.698758 0.044605 O\n0.868541 0.788010 0.456035 O\n0.368529 0.288060 0.956019 O\n0.257316 0.454591 0.663003 O\n0.757173 0.954678 0.163004 O\n0.373291 0.821413 0.545070 O\n0.873266 0.321435 0.045073 O\n0.742685 0.533261 0.337690 O\n0.242512 0.033367 0.837685 O\n0.628974 0.165443 0.455612 O\n0.128957 0.665510 0.955623 O\n0.421198 0.389337 0.185866 O\n0.921278 0.889279 0.685871 O\n0.735293 0.044287 0.865446 O\n0.235437 0.544252 0.365513 O\n0.580760 0.597666 0.814596 O\n0.080849 0.097595 0.314617 O\n0.264846 0.941901 0.134774 O\n0.764973 0.441868 0.634835 O\n",
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{
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"formula_full": "Ba1 Mg14 Mn1 O16",
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"energy": -201.8701503,
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},
{
"id": "mp-850364",
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"structure_string": "Fe8 O6 F10\n1.0\n4.826753 0.000000 0.000000\n-0.285312 5.739603 0.000000\n-0.124541 -0.989446 10.443843\nFe O F\n8 6 10\ndirect\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.423084 0.255473 0.747626 Fe\n0.576916 0.744527 0.252374 Fe\n0.000000 0.500000 0.000000 Fe\n0.969743 0.255339 0.239407 Fe\n0.000000 0.000000 0.500000 Fe\n0.030257 0.744661 0.760593 Fe\n0.808040 0.513550 0.173197 O\n0.697776 0.018729 0.165868 O\n0.704227 0.782691 0.426253 O\n0.302224 0.981271 0.834132 O\n0.295773 0.217309 0.573747 O\n0.191960 0.486450 0.826803 O\n0.817146 0.271068 0.419316 F\n0.816629 0.005005 0.676199 F\n0.791377 0.785819 0.921242 F\n0.689554 0.267699 0.918052 F\n0.702382 0.516762 0.687114 F\n0.297618 0.483238 0.312886 F\n0.310446 0.732301 0.081948 F\n0.182854 0.728932 0.580684 F\n0.208623 0.214181 0.078758 F\n0.183371 0.994995 0.323801 F\n",
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"formula_full": "Fe8 O6 F10",
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{
"id": "mp-1421498",
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"structure_string": "Al1 Fe1 O3\n1.0\n3.801023 0.000000 0.000000\n0.000000 3.801023 0.000000\n0.000000 0.000000 3.801023\nAl Fe O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.500000 Fe\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
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"formula_full": "Al1 Fe1 O3",
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{
"id": "mp-20431",
"created_at": "2022-09-04T14:44:10.872272Z",
"structure_string": "Ca8 Fe4 Sb4 O24\n1.0\n-0.009389 0.000000 7.832088\n5.486518 5.623377 -0.009449\n-5.486518 5.623377 0.009449\nCa Fe Sb O\n8 4 4 24\ndirect\n0.749383 0.480982 0.468731 Ca\n0.749383 0.980982 0.968731 Ca\n0.750617 0.468731 0.980982 Ca\n0.750617 0.968731 0.480982 Ca\n0.249383 0.531269 0.019018 Ca\n0.249383 0.031269 0.519018 Ca\n0.250617 0.519018 0.531269 Ca\n0.250617 0.019018 0.031269 Ca\n0.500000 0.750000 0.750000 Fe\n0.000000 0.750000 0.250000 Fe\n0.500000 0.250000 0.250000 Fe\n0.000000 0.250000 0.750000 Fe\n0.000000 0.250000 0.250000 Sb\n0.000000 0.750000 0.750000 Sb\n0.500000 0.250000 0.750000 Sb\n0.500000 0.750000 0.250000 Sb\n0.252083 0.688661 0.280963 O\n0.252083 0.188661 0.780963 O\n0.247917 0.280963 0.188661 O\n0.247917 0.780963 0.688661 O\n0.747917 0.311339 0.719037 O\n0.747917 0.811339 0.219037 O\n0.752083 0.719037 0.811339 O\n0.752083 0.219037 0.311339 O\n0.049041 0.796775 0.996235 O\n0.049041 0.296775 0.496235 O\n0.450959 0.496235 0.796775 O\n0.450959 0.996235 0.296775 O\n0.950959 0.203225 0.003765 O\n0.950959 0.703225 0.503765 O\n0.549041 0.503765 0.203225 O\n0.549041 0.003765 0.703225 O\n0.952465 0.498852 0.203520 O\n0.952465 0.998852 0.703520 O\n0.547535 0.203520 0.998852 O\n0.547535 0.703520 0.498852 O\n0.047535 0.501148 0.796480 O\n0.047535 0.001148 0.296480 O\n0.452465 0.796480 0.001148 O\n0.452465 0.296480 0.501148 O\n",
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{
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"structure_string": "Fe10 O5 F15\n1.0\n3.397414 -3.503134 0.000000\n3.397414 3.503134 0.000000\n0.000000 0.000000 15.425072\nFe O F\n10 5 15\ndirect\n0.970038 0.970038 0.800228 Fe\n0.030632 0.030632 0.000000 Fe\n0.970038 0.970038 0.199772 Fe\n0.020796 0.020796 0.399796 Fe\n0.020796 0.020796 0.600204 Fe\n0.500079 0.500079 0.899932 Fe\n0.500187 0.500187 0.300196 Fe\n0.500079 0.500079 0.100068 Fe\n0.475489 0.475489 0.500000 Fe\n0.500187 0.500187 0.699804 Fe\n0.331670 0.331670 0.000000 O\n0.322253 0.322253 0.397325 O\n0.322253 0.322253 0.602675 O\n0.668374 0.668374 0.799973 O\n0.668374 0.668374 0.200027 O\n0.795540 0.204725 0.900166 F\n0.795540 0.204725 0.099834 F\n0.792182 0.201665 0.299782 F\n0.801284 0.213672 0.500000 F\n0.792182 0.201665 0.700218 F\n0.290539 0.290539 0.800565 F\n0.290539 0.290539 0.199435 F\n0.709576 0.709575 0.000000 F\n0.702459 0.702459 0.401119 F\n0.702459 0.702459 0.598881 F\n0.204725 0.795540 0.900166 F\n0.201665 0.792182 0.299782 F\n0.204725 0.795540 0.099834 F\n0.201665 0.792182 0.700218 F\n0.213672 0.801284 0.500000 F\n",
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{
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"structure_string": "Nd2 Fe2 C12 N12 O8\n1.0\n4.020549 -6.946441 0.000000\n4.020549 6.946441 0.000000\n0.000000 0.000000 13.830817\nNd Fe C N O\n2 2 12 12 8\ndirect\n0.663723 0.336277 0.250000 Nd\n0.336277 0.663723 0.750000 Nd\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.243459 0.142856 0.403889 C\n0.142856 0.243459 0.596111 C\n0.243459 0.142856 0.096111 C\n0.142856 0.243459 0.903889 C\n0.756541 0.857144 0.596111 C\n0.857144 0.756541 0.403889 C\n0.756541 0.857144 0.903889 C\n0.857144 0.756541 0.096111 C\n0.859826 0.140174 0.428329 C\n0.140174 0.859826 0.571671 C\n0.859826 0.140174 0.071671 C\n0.140174 0.859826 0.928329 C\n0.381289 0.215491 0.355579 N\n0.215491 0.381289 0.644421 N\n0.381289 0.215491 0.144421 N\n0.215491 0.381289 0.855579 N\n0.618711 0.784509 0.644421 N\n0.784509 0.618711 0.355579 N\n0.618711 0.784509 0.855579 N\n0.784509 0.618711 0.144421 N\n0.789741 0.210259 0.381077 N\n0.210259 0.789741 0.618923 N\n0.789741 0.210259 0.118923 N\n0.210259 0.789741 0.881077 N\n0.428304 0.825019 0.250000 O\n0.825019 0.428304 0.750000 O\n0.571696 0.174981 0.750000 O\n0.174981 0.571696 0.250000 O\n0.328052 0.671948 0.323790 O\n0.671948 0.328052 0.676210 O\n0.328052 0.671948 0.176210 O\n0.671948 0.328052 0.823790 O\n",
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{
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{
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