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{
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"structure_string": "Cr1 Co3 O8\n1.0\n5.118909 -2.869711 0.000000\n5.118909 2.869711 0.000000\n3.510120 0.000000 4.702928\nCr Co O\n1 3 8\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.275367 0.764457 0.764457 O\n0.764457 0.764457 0.275367 O\n0.764457 0.275367 0.764457 O\n0.268135 0.268135 0.268135 O\n0.731865 0.731865 0.731865 O\n0.235543 0.724633 0.235543 O\n0.235543 0.235543 0.724633 O\n0.724633 0.235543 0.235543 O\n",
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{
"id": "mp-1305884",
"created_at": "2022-09-04T14:45:00.235532Z",
"structure_string": "Li4 Ti4 V6 O20\n1.0\n-4.159747 -4.908099 0.125714\n3.006357 1.580536 7.430388\n-6.289554 5.179485 -0.571537\nLi Ti V O\n4 4 6 20\ndirect\n0.314705 0.394699 0.870524 Li\n0.815672 0.395488 0.362533 Li\n0.184284 0.604378 0.637442 Li\n0.685385 0.605366 0.129581 Li\n0.779078 0.685383 0.783106 Ti\n0.266999 0.686173 0.282219 Ti\n0.732774 0.313709 0.717748 Ti\n0.220848 0.314587 0.216949 Ti\n0.245418 0.996140 0.749099 V\n0.119615 0.896231 0.083042 V\n0.380115 0.111509 0.420399 V\n0.754642 0.003859 0.250838 V\n0.619854 0.888478 0.579599 V\n0.880400 0.103819 0.916854 V\n0.793479 0.861819 0.007765 O\n0.303151 0.861347 0.512112 O\n0.696897 0.138651 0.487847 O\n0.206537 0.138278 0.992282 O\n0.346076 0.514851 0.117556 O\n0.839770 0.509228 0.612133 O\n0.160235 0.490760 0.387926 O\n0.653976 0.485183 0.882480 O\n0.420261 0.938286 0.213063 O\n0.911313 0.935616 0.697257 O\n0.088709 0.064491 0.302807 O\n0.579663 0.061597 0.786875 O\n0.355961 0.210218 0.638273 O\n0.873840 0.218784 0.155231 O\n0.126118 0.781306 0.844809 O\n0.644202 0.789878 0.361764 O\n0.521480 0.689147 0.680244 O\n0.014963 0.682227 0.183875 O\n0.985043 0.317801 0.816161 O\n0.478534 0.310715 0.319608 O\n",
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{
"id": "mp-26749",
"created_at": "2022-09-04T14:45:00.292477Z",
"structure_string": "Li4 Fe4 P8 O28\n1.0\n8.206175 0.000000 0.000000\n0.000000 6.810215 0.000000\n0.000000 2.836868 8.999834\nLi Fe P O\n4 4 8 28\ndirect\n0.892351 0.781990 0.546574 Li\n0.107649 0.218010 0.453426 Li\n0.392351 0.218010 0.953426 Li\n0.607649 0.781990 0.046574 Li\n0.776628 0.281262 0.003253 Fe\n0.723372 0.281262 0.503253 Fe\n0.276628 0.718738 0.496747 Fe\n0.223372 0.718738 0.996747 Fe\n0.086474 0.461865 0.795144 P\n0.913526 0.538135 0.204856 P\n0.413526 0.461865 0.295144 P\n0.967455 0.054474 0.788064 P\n0.467455 0.945526 0.711936 P\n0.032545 0.945526 0.211936 P\n0.532545 0.054474 0.288064 P\n0.586474 0.538135 0.704856 P\n0.412392 0.605905 0.134118 O\n0.672346 0.071362 0.391049 O\n0.937254 0.145325 0.155447 O\n0.584484 0.089238 0.124286 O\n0.415516 0.910762 0.875714 O\n0.062746 0.854675 0.844553 O\n0.327654 0.928638 0.608951 O\n0.605211 0.770243 0.716682 O\n0.084484 0.910762 0.375714 O\n0.437254 0.854675 0.344553 O\n0.172346 0.928638 0.108951 O\n0.087608 0.605905 0.634118 O\n0.233191 0.484493 0.890332 O\n0.894789 0.770243 0.216682 O\n0.921899 0.472901 0.866273 O\n0.915516 0.089238 0.624286 O\n0.733191 0.515507 0.609668 O\n0.587608 0.394095 0.865882 O\n0.421899 0.527099 0.633727 O\n0.266809 0.484493 0.390332 O\n0.578101 0.472901 0.366273 O\n0.078101 0.527099 0.133727 O\n0.105211 0.229757 0.783318 O\n0.766809 0.515507 0.109668 O\n0.912392 0.394095 0.365882 O\n0.827654 0.071362 0.891049 O\n0.562746 0.145325 0.655447 O\n0.394789 0.229757 0.283318 O\n",
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"structure_string": "Lu1 Np1 Ru2\n1.0\n0.000000 3.338773 3.338773\n3.338773 0.000000 3.338773\n3.338773 3.338773 0.000000\nLu Np Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 Np\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
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{
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"structure_string": "Eu2 In8 Ir2\n1.0\n2.293151 -8.619941 0.000000\n2.293151 8.619941 0.000000\n0.000000 0.000000 7.394111\nEu In Ir\n2 8 2\ndirect\n0.626428 0.373572 0.750000 Eu\n0.373572 0.626428 0.250000 Eu\n0.815185 0.184815 0.953557 In\n0.184815 0.815185 0.046443 In\n0.815185 0.184815 0.546443 In\n0.184815 0.815185 0.453557 In\n0.433271 0.566729 0.750000 In\n0.566729 0.433271 0.250000 In\n0.000000 0.000000 0.000000 In\n0.000000 0.000000 0.500000 In\n0.277503 0.722497 0.750000 Ir\n0.722497 0.277503 0.250000 Ir\n",
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{
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"structure_string": "Y8 Be12 Fe6 Si12 O60\n1.0\n7.749874 0.000000 0.000000\n-0.023249 10.145172 0.000000\n-0.011417 -0.145875 14.061022\nY Be Fe Si O\n8 12 6 12 60\ndirect\n0.395823 0.168942 0.662274 Y\n0.396644 0.168172 0.002097 Y\n0.893069 0.333948 0.670405 Y\n0.892637 0.330894 0.333678 Y\n0.601518 0.833148 0.670557 Y\n0.600024 0.829109 0.337403 Y\n0.104560 0.666234 0.334496 Y\n0.104938 0.670788 0.993647 Y\n0.094603 0.154209 0.852601 Be\n0.094785 0.157744 0.513604 Be\n0.082659 0.156542 0.182529 Be\n0.591831 0.349702 0.817832 Be\n0.585646 0.339174 0.481096 Be\n0.592006 0.342523 0.151553 Be\n0.901230 0.848870 0.815236 Be\n0.913957 0.842391 0.488165 Be\n0.914477 0.840447 0.148999 Be\n0.408549 0.654019 0.849406 Be\n0.410244 0.657957 0.517826 Be\n0.411655 0.655607 0.183080 Be\n0.000508 0.000936 0.998014 Fe\n0.996356 0.997947 0.667452 Fe\n0.003121 0.002579 0.334166 Fe\n0.505545 0.500229 0.002357 Fe\n0.492276 0.502164 0.663828 Fe\n0.499307 0.493107 0.333518 Fe\n0.230593 0.405137 0.831633 Si\n0.233821 0.416268 0.492167 Si\n0.218590 0.421251 0.160660 Si\n0.728569 0.095038 0.841905 Si\n0.733423 0.085403 0.506091 Si\n0.723340 0.077278 0.166311 Si\n0.762867 0.594883 0.837469 Si\n0.778267 0.577269 0.507866 Si\n0.776585 0.583627 0.171916 Si\n0.264236 0.912357 0.822797 Si\n0.286774 0.913927 0.493832 Si\n0.268004 0.918578 0.167589 Si\n0.399435 0.366453 0.759924 O\n0.402056 0.366372 0.428185 O\n0.390162 0.364933 0.100433 O\n0.907210 0.130086 0.901261 O\n0.904690 0.131721 0.575032 O\n0.881748 0.136034 0.236392 O\n0.592580 0.622025 0.907161 O\n0.610091 0.635184 0.569820 O\n0.603594 0.641029 0.234963 O\n0.087865 0.875729 0.758683 O\n0.106994 0.860499 0.437046 O\n0.114987 0.861500 0.093982 O\n0.559624 0.351666 0.930213 O\n0.572793 0.341861 0.596355 O\n0.614483 0.360721 0.263056 O\n0.092876 0.149370 0.734663 O\n0.050807 0.158035 0.405458 O\n0.105015 0.133793 0.069712 O\n0.444757 0.653979 0.737835 O\n0.411998 0.654519 0.402327 O\n0.396372 0.635616 0.071001 O\n0.787245 0.974219 0.767151 O\n0.796558 0.962583 0.433050 O\n0.821990 0.969454 0.096600 O\n0.404176 0.968604 0.746516 O\n0.422100 0.953867 0.413423 O\n0.415161 0.981962 0.098736 O\n0.924626 0.560085 0.904024 O\n0.902452 0.500534 0.578291 O\n0.909789 0.535176 0.255504 O\n0.202732 0.274716 0.895260 O\n0.175264 0.291171 0.559922 O\n0.125860 0.302945 0.217681 O\n0.075683 0.436288 0.759274 O\n0.092345 0.468461 0.414840 O\n0.096808 0.499323 0.087403 O\n0.292384 0.531079 0.898193 O\n0.306526 0.533866 0.564392 O\n0.300108 0.531658 0.239199 O\n0.573998 0.061767 0.912539 O\n0.587613 0.042341 0.583056 O\n0.595220 0.993154 0.235296 O\n0.704431 0.468622 0.766180 O\n0.698632 0.468656 0.429926 O\n0.691984 0.468906 0.101294 O\n0.205253 0.027990 0.901433 O\n0.210380 0.036253 0.562687 O\n0.183140 0.032699 0.236843 O\n0.308635 0.781654 0.883579 O\n0.365060 0.799872 0.562280 O\n0.328197 0.789667 0.230050 O\n0.791066 0.727247 0.775386 O\n0.847801 0.702533 0.444126 O\n0.856406 0.701836 0.108972 O\n0.676731 0.217838 0.770360 O\n0.696374 0.216676 0.444095 O\n0.632526 0.197999 0.111701 O\n0.940204 0.852108 0.927428 O\n0.883766 0.865579 0.598040 O\n0.927599 0.841091 0.265714 O\n",
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"elements": [
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],
"chemical_system": "Be-Fe-O-Si-Y",
"density": 3.682152082687159,
"density_atomic": 0.08864518115655445,
"volume": 1105.5310477275036,
"volume_molar": 6.793534269352352,
"formula_full": "Y8 Be12 Fe6 Si12 O60",
"formula_reduced": "Y4Be6Fe3(SiO5)6",
"formula_anonymous": "A3B4C6D6E30",
"energy": -794.32958376,
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"energy_uncorrected": -739.57358376,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:44.990000Z",
"spacegroup": 1
},
{
"id": "mp-1175660",
"created_at": "2022-09-04T14:45:00.296645Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.816369 0.000000 0.000000\n-1.476735 -6.397680 0.000000\n-1.370366 0.198911 -7.630763\nLi Mn Co O\n9 2 5 16\ndirect\n0.130153 0.134061 0.382026 Li\n0.621091 0.619397 0.873303 Li\n0.367198 0.862105 0.613372 Li\n0.874944 0.379350 0.129332 Li\n0.632802 0.137895 0.386628 Li\n0.125056 0.620650 0.870668 Li\n0.869847 0.865939 0.617974 Li\n0.378909 0.380603 0.126697 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.249954 0.731431 0.260962 Co\n0.750046 0.268569 0.739038 Co\n0.000000 0.500000 0.500000 Co\n0.744351 0.740498 0.263574 Co\n0.255649 0.259502 0.736426 Co\n0.805652 0.057279 0.163178 O\n0.290866 0.551419 0.678588 O\n0.054885 0.794707 0.438192 O\n0.553385 0.290669 0.935400 O\n0.303235 0.046992 0.167992 O\n0.817727 0.545772 0.683259 O\n0.566132 0.819761 0.421169 O\n0.060422 0.287680 0.929230 O\n0.433868 0.180239 0.578831 O\n0.939578 0.712320 0.070770 O\n0.696765 0.953008 0.832008 O\n0.182273 0.454228 0.316741 O\n0.945115 0.205293 0.561808 O\n0.446615 0.709331 0.064600 O\n0.194348 0.942721 0.836822 O\n0.709134 0.448581 0.321412 O\n",
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"density": 4.228105786588993,
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"volume": 283.95036416770665,
"volume_molar": 5.343715818347468,
"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1101449",
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"structure_string": "Nb2 V6 O16\n1.0\n6.017141 0.017696 -0.048025\n-2.993244 5.184474 0.096037\n-0.075666 0.131037 9.383726\nNb V O\n2 6 16\ndirect\n0.345360 0.678694 0.499501 Nb\n0.654646 0.333333 0.999500 Nb\n0.158418 0.817144 0.219349 V\n0.167171 0.339563 0.204651 V\n0.657114 0.821142 0.218138 V\n0.342878 0.164018 0.718139 V\n0.841567 0.658718 0.719346 V\n0.832843 0.172406 0.704652 V\n0.176112 0.829232 0.602888 O\n0.047295 0.532208 0.336734 O\n0.336744 0.682127 0.106532 O\n0.998367 0.995530 0.301550 O\n0.001634 0.997162 0.801550 O\n0.182990 0.341826 0.597272 O\n0.477871 0.954835 0.336353 O\n0.487686 0.533613 0.335384 O\n0.335656 0.159571 0.099511 O\n0.664347 0.823924 0.599514 O\n0.522123 0.476963 0.836348 O\n0.512320 0.045930 0.835380 O\n0.663257 0.345384 0.606534 O\n0.823878 0.653118 0.102889 O\n0.952705 0.484918 0.836737 O\n0.817015 0.158841 0.097273 O\n",
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],
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"formula_full": "Nb2 V6 O16",
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{
"id": "mp-23319",
"created_at": "2022-09-04T14:45:00.275761Z",
"structure_string": "Rb2 V2 Cl6\n1.0\n3.574556 -6.191312 0.000000\n3.574556 6.191312 0.000000\n0.000000 0.000000 6.240372\nRb V Cl\n2 2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.000000 0.000000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.842900 0.685801 0.750000 Cl\n0.157100 0.842900 0.250000 Cl\n0.685801 0.842900 0.250000 Cl\n0.314199 0.157100 0.750000 Cl\n0.157100 0.314199 0.250000 Cl\n0.842900 0.157100 0.750000 Cl\n",
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]
}