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{
"id": "mp-661384",
"created_at": "2022-09-04T14:41:21.142820Z",
"structure_string": "P4 O10\n1.0\n0.000000 4.083457 8.293785\n2.774842 0.000000 8.293785\n2.774842 4.083457 0.000000\nP O\n4 10\ndirect\n0.941675 0.406589 0.406622 P\n0.261982 0.386900 0.400398 P\n0.864254 0.985347 0.294711 P\n0.853928 0.302046 0.984914 P\n0.662317 0.723240 0.515775 O\n0.115542 0.505080 0.725996 O\n0.743213 0.146057 0.590601 O\n0.528845 0.590443 0.132581 O\n0.981549 0.014082 0.011534 O\n0.242073 0.254417 0.252155 O\n0.021371 0.206202 0.647114 O\n0.137701 0.634525 0.202355 O\n0.609586 0.116133 0.228586 O\n0.032491 0.234383 0.131928 O\n",
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{
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"structure_string": "Zr2 Ti3 Pb5 O15\n1.0\n4.018689 0.000000 0.000000\n0.000000 4.489721 0.000000\n0.000000 0.000000 19.877342\nZr Ti Pb O\n2 3 5 15\ndirect\n0.500000 0.479521 0.105231 Zr\n0.500000 0.479521 0.894769 Zr\n0.500000 0.486647 0.306592 Ti\n0.500000 0.486168 0.500000 Ti\n0.500000 0.486647 0.693408 Ti\n0.000000 0.040204 0.000000 Pb\n0.000000 0.040898 0.209373 Pb\n0.000000 0.045474 0.403498 Pb\n0.000000 0.045474 0.596502 Pb\n0.000000 0.040898 0.790627 Pb\n0.500000 0.918636 0.104942 O\n0.500000 0.876522 0.305759 O\n0.500000 0.875260 0.500000 O\n0.500000 0.876522 0.694241 O\n0.500000 0.918636 0.895058 O\n0.000000 0.372400 0.105817 O\n0.000000 0.393663 0.307163 O\n0.000000 0.392558 0.500000 O\n0.000000 0.393663 0.692837 O\n0.000000 0.372400 0.894183 O\n0.500000 0.390818 0.000000 O\n0.500000 0.382387 0.211124 O\n0.500000 0.380703 0.403766 O\n0.500000 0.380703 0.596234 O\n0.500000 0.382387 0.788876 O\n",
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"updated_at": "2021-11-28T01:35:15.603000Z",
"spacegroup": 25
},
{
"id": "mp-1207590",
"created_at": "2022-09-04T14:41:19.786691Z",
"structure_string": "Yb4 Cu4 Sn4\n1.0\n4.490575 0.000000 0.000000\n0.000000 7.149877 0.000000\n0.000000 0.000000 7.889545\nYb Cu Sn\n4 4 4\ndirect\n0.250000 0.509547 0.203452 Yb\n0.750000 0.490453 0.796548 Yb\n0.750000 0.990453 0.703452 Yb\n0.250000 0.009547 0.296548 Yb\n0.250000 0.793438 0.901921 Cu\n0.750000 0.206562 0.098079 Cu\n0.750000 0.706562 0.401921 Cu\n0.250000 0.293438 0.598079 Cu\n0.250000 0.687430 0.577941 Sn\n0.750000 0.312570 0.422059 Sn\n0.750000 0.812570 0.077941 Sn\n0.250000 0.187430 0.922059 Sn\n",
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"density": 9.316374208879342,
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"volume": 253.31008608237602,
"volume_molar": 12.71224161929821,
"formula_full": "Yb4 Cu4 Sn4",
"formula_reduced": "YbCuSn",
"formula_anonymous": "ABC",
"energy": -44.7742641,
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"spacegroup": 62
},
{
"id": "mp-1098016",
"created_at": "2022-09-04T14:41:19.804606Z",
"structure_string": "Li6 Eu4 B6 O18\n1.0\n10.409257 0.000000 0.000000\n0.000000 6.538755 0.000000\n0.000000 2.608159 7.112296\nLi Eu B O\n6 4 6 18\ndirect\n0.808213 0.676130 0.438697 Li\n0.308213 0.323870 0.561303 Li\n0.796882 0.851243 0.729046 Li\n0.296882 0.148757 0.270954 Li\n0.916754 0.325814 0.781313 Li\n0.416754 0.674186 0.218687 Li\n0.614446 0.108840 0.989292 Eu\n0.114446 0.891160 0.010708 Eu\n0.453865 0.724827 0.750209 Eu\n0.953865 0.275173 0.249791 Eu\n0.659859 0.957967 0.399490 B\n0.159859 0.042033 0.600510 B\n0.721841 0.273799 0.564637 B\n0.221841 0.726201 0.435363 B\n0.012652 0.744672 0.610517 B\n0.512652 0.255328 0.389483 B\n0.651829 0.808095 0.574962 O\n0.151829 0.191905 0.425038 O\n0.547497 0.087567 0.320336 O\n0.047497 0.912433 0.679664 O\n0.762998 0.989861 0.280814 O\n0.262998 0.010139 0.719186 O\n0.586209 0.276884 0.536380 O\n0.086209 0.723116 0.463620 O\n0.766687 0.155213 0.741876 O\n0.266687 0.844787 0.258124 O\n0.798368 0.391147 0.420596 O\n0.298368 0.608853 0.579404 O\n0.511014 0.822171 0.993965 O\n0.011014 0.177829 0.006035 O\n0.493059 0.389931 0.908899 O\n0.993059 0.610069 0.091101 O\n0.904327 0.635505 0.670731 O\n0.404327 0.364495 0.329269 O\n",
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"volume": 484.0883367058604,
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"formula_full": "Li6 Eu4 B6 O18",
"formula_reduced": "Li3Eu2(BO3)3",
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"energy": -274.45689976,
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"updated_at": "2021-11-28T01:35:14.986000Z",
"spacegroup": 4
},
{
"id": "mp-1214985",
"created_at": "2022-09-04T14:41:19.822950Z",
"structure_string": "B6 Rh1 O6\n1.0\n-4.401370 -7.623396 -0.065512\n0.810441 -5.550172 -0.032756\n-2.149478 -3.723005 11.826526\nB Rh O\n6 1 6\ndirect\n0.640916 0.000000 0.513794 B\n0.359084 0.000000 0.486206 B\n0.638644 0.253000 0.000006 B\n0.361356 0.747000 0.999994 B\n0.891645 0.747000 0.000006 B\n0.108355 0.253000 0.999994 B\n0.000000 0.000000 0.000000 Rh\n0.442821 0.363243 0.515223 O\n0.557179 0.636757 0.484777 O\n0.645128 0.000000 0.000075 O\n0.193936 0.363243 0.484777 O\n0.354872 0.000000 0.999925 O\n0.806064 0.636757 0.515223 O\n",
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],
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"volume": 362.94984069174564,
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"formula_full": "B6 Rh1 O6",
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"energy": -88.69949227,
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{
"id": "mp-758064",
"created_at": "2022-09-04T14:41:19.827746Z",
"structure_string": "Li24 Co24 P24 O96\n1.0\n4.948811 -8.571592 0.000000\n4.948811 8.571592 0.000000\n0.000000 0.000000 23.910323\nLi Co P O\n24 24 24 96\ndirect\n0.023111 0.976067 0.695317 Li\n0.034127 0.587754 0.033739 Li\n0.051918 0.459515 0.193397 Li\n0.039569 0.477644 0.849663 Li\n0.407598 0.948082 0.860064 Li\n0.438075 0.960431 0.516329 Li\n0.023933 0.047044 0.028651 Li\n0.047044 0.023111 0.861984 Li\n0.553627 0.965873 0.700405 Li\n0.412246 0.446373 0.367072 Li\n0.522356 0.561925 0.182996 Li\n0.540485 0.592402 0.526731 Li\n0.459515 0.407598 0.026731 Li\n0.477644 0.438075 0.682996 Li\n0.587754 0.553627 0.867072 Li\n0.446373 0.034127 0.200405 Li\n0.952956 0.976889 0.361984 Li\n0.976067 0.952956 0.528651 Li\n0.561925 0.039569 0.016329 Li\n0.592402 0.051918 0.360064 Li\n0.960431 0.522356 0.349663 Li\n0.948082 0.540485 0.693397 Li\n0.965873 0.412246 0.533739 Li\n0.976889 0.023933 0.195317 Li\n0.101241 0.819967 0.269892 Co\n0.085659 0.764863 0.919824 Co\n0.124704 0.754631 0.593467 Co\n0.310590 0.667677 0.756653 Co\n0.332323 0.642912 0.089986 Co\n0.357088 0.689410 0.423319 Co\n0.180033 0.281274 0.603226 Co\n0.245369 0.370073 0.926801 Co\n0.235137 0.320795 0.253157 Co\n0.629927 0.875296 0.260134 Co\n0.679205 0.914341 0.586491 Co\n0.281274 0.101241 0.436559 Co\n0.718726 0.898759 0.936559 Co\n0.320795 0.085659 0.086491 Co\n0.370073 0.124704 0.760134 Co\n0.764863 0.679205 0.753157 Co\n0.754631 0.629927 0.426801 Co\n0.819967 0.718726 0.103226 Co\n0.642912 0.310590 0.923319 Co\n0.667677 0.357088 0.589986 Co\n0.689410 0.332323 0.256653 Co\n0.875296 0.245369 0.093467 Co\n0.914341 0.235137 0.419824 Co\n0.898759 0.180033 0.769892 Co\n0.092715 0.789960 0.790543 P\n0.082120 0.755454 0.466533 P\n0.132151 0.771823 0.139763 P\n0.285777 0.647315 0.295797 P\n0.361538 0.714223 0.962463 P\n0.352685 0.638462 0.629130 P\n0.228177 0.360327 0.473097 P\n0.210040 0.302755 0.123876 P\n0.244546 0.326666 0.799866 P\n0.639673 0.867849 0.806430 P\n0.673334 0.917880 0.133200 P\n0.697245 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O\n0.877356 0.309474 0.247752 O\n0.862148 0.338721 0.805110 O\n0.758124 0.058172 0.309565 O\n0.984550 0.335400 0.021875 O\n0.965384 0.237401 0.691356 O\n0.860436 0.015505 0.430005 O\n0.984346 0.311947 0.343002 O\n0.907880 0.081984 0.971323 O\n0.962547 0.234008 0.586859 O\n",
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"formula_full": "Li24 Co24 P24 O96",
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"spacegroup": 169
},
{
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"structure_string": "Pr1 As2 Pd2\n1.0\n-2.167354 2.167354 5.247493\n2.167354 -2.167354 5.247493\n2.167354 2.167354 -5.247493\nPr As Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.379201 0.379201 0.000000 As\n0.620799 0.620799 0.000000 As\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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{
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}