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{
"id": "mp-531914",
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"structure_string": "Li6 Ti16 O32\n1.0\n5.988811 0.000000 0.000000\n0.000000 8.465786 0.000000\n0.000000 0.000000 11.970367\nLi Ti O\n6 16 32\ndirect\n0.500000 0.123799 0.000000 Li\n0.000000 0.625880 0.248896 Li\n0.000000 0.625880 0.751104 Li\n0.500000 0.374120 0.251104 Li\n0.000000 0.876201 0.500000 Li\n0.500000 0.374120 0.748896 Li\n0.000000 0.244813 0.124336 Ti\n0.248271 0.503878 0.000000 Ti\n0.500000 0.750979 0.123062 Ti\n0.500000 0.755187 0.375664 Ti\n0.750000 0.000000 0.250000 Ti\n0.000000 0.249021 0.376938 Ti\n0.000000 0.249021 0.623062 Ti\n0.250000 0.000000 0.250000 Ti\n0.251729 0.496122 0.500000 Ti\n0.500000 0.755187 0.624336 Ti\n0.500000 0.750979 0.876938 Ti\n0.748271 0.496122 0.500000 Ti\n0.750000 0.000000 0.750000 Ti\n0.000000 0.244813 0.875664 Ti\n0.250000 0.000000 0.750000 Ti\n0.751729 0.503878 0.000000 Ti\n0.000000 0.486197 0.112020 O\n0.280926 0.733276 0.000000 O\n0.275846 0.762564 0.250269 O\n0.500000 0.512285 0.112615 O\n0.500000 0.987718 0.137666 O\n0.500000 0.983847 0.358426 O\n0.719074 0.733276 0.000000 O\n0.724154 0.762564 0.250269 O\n0.775846 0.237436 0.249731 O\n0.780926 0.266724 0.500000 O\n0.000000 0.016153 0.141574 O\n0.000000 0.487715 0.612615 O\n0.000000 0.012282 0.362334 O\n0.000000 0.487715 0.387385 O\n0.224154 0.237436 0.249731 O\n0.219074 0.266724 0.500000 O\n0.275749 0.736636 0.500000 O\n0.275846 0.762564 0.749731 O\n0.500000 0.513803 0.387980 O\n0.500000 0.513803 0.612020 O\n0.500000 0.987718 0.862334 O\n0.500000 0.983847 0.641574 O\n0.724251 0.736636 0.500000 O\n0.724154 0.762564 0.749731 O\n0.775846 0.237436 0.750269 O\n0.775749 0.263364 0.000000 O\n0.000000 0.012282 0.637666 O\n0.000000 0.016153 0.858426 O\n0.000000 0.486197 0.887980 O\n0.224154 0.237436 0.750269 O\n0.224251 0.263364 0.000000 O\n0.500000 0.512285 0.887385 O\n",
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"formula_full": "Li6 Ti16 O32",
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"spacegroup": 59
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{
"id": "mp-1400776",
"created_at": "2022-09-04T14:41:21.554331Z",
"structure_string": "La2 Zn1 Bi1 O6\n1.0\n5.041167 -2.982542 0.000000\n5.041167 2.982542 0.000000\n3.276583 0.000000 4.855195\nLa Zn Bi O\n2 1 1 6\ndirect\n0.750296 0.750296 0.750296 La\n0.249704 0.249704 0.249704 La\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Bi\n0.743710 0.363648 0.151734 O\n0.151734 0.743710 0.363648 O\n0.363648 0.151734 0.743710 O\n0.256290 0.636352 0.848266 O\n0.636352 0.848266 0.256290 O\n0.848266 0.256290 0.636352 O\n",
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"formula_full": "La2 Zn1 Bi1 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-684678",
"created_at": "2022-09-04T14:41:21.316109Z",
"structure_string": "H28 O14\n1.0\n7.412700 0.000000 0.000000\n2.545855 7.032761 0.000000\n2.720486 1.434174 7.151373\nH O\n28 14\ndirect\n0.714913 0.870220 0.907938 H\n0.672950 0.799489 0.312115 H\n0.680580 0.294178 0.198840 H\n0.465378 0.387332 0.769196 H\n0.611335 0.207630 0.998228 H\n0.485913 0.950480 0.401008 H\n0.594558 0.479514 0.467226 H\n0.323115 0.751476 0.825280 H\n0.464335 0.100762 0.709856 H\n0.486028 0.989126 0.735922 H\n0.125302 0.949323 0.984973 H\n0.203542 0.858978 0.677057 H\n0.276479 0.518339 0.711480 H\n0.911948 0.885440 0.921340 H\n0.969659 0.958527 0.514139 H\n0.213053 0.941912 0.141517 H\n0.811231 0.875740 0.501440 H\n0.412824 0.373752 0.059665 H\n0.775967 0.490744 0.813426 H\n0.447876 0.996591 0.118976 H\n0.272217 0.173216 0.551761 H\n0.195078 0.608116 0.394606 H\n0.093859 0.360745 0.250464 H\n0.286002 0.537830 0.347527 H\n0.361731 0.068294 0.169157 H\n0.038118 0.541633 0.105368 H\n0.062453 0.200635 0.536852 H\n0.894468 0.163378 0.206718 H\n0.766165 0.930066 0.972376 O\n0.902223 0.425926 0.725749 O\n0.844053 0.333319 0.641025 O\n0.544883 0.741784 0.867124 O\n0.608817 0.857689 0.423785 O\n0.762502 0.225509 0.287524 O\n0.720702 0.506474 0.374899 O\n0.394144 0.411451 0.676040 O\n0.191928 0.774296 0.801185 O\n0.204778 0.124953 0.494051 O\n0.561330 0.344152 0.014259 O\n0.919764 0.844007 0.560955 O\n0.140242 0.419366 0.118706 O\n0.087560 0.977612 0.110246 O\n",
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"updated_at": "2021-11-28T01:35:13.462000Z",
"spacegroup": 1
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{
"id": "mp-1192129",
"created_at": "2022-09-04T14:41:21.316906Z",
"structure_string": "Tl3 V5 O14\n1.0\n4.425725 -7.665581 0.000000\n4.425725 7.665581 0.000000\n0.000000 0.000000 5.328394\nTl V O\n3 5 14\ndirect\n0.391138 0.391138 0.765010 Tl\n0.000000 0.608862 0.765010 Tl\n0.608862 0.000000 0.765010 Tl\n0.666667 0.333333 0.295996 V\n0.333333 0.666667 0.295996 V\n0.227758 0.000000 0.288522 V\n0.772242 0.772242 0.288522 V\n0.000000 0.227758 0.288522 V\n0.333333 0.666667 0.983529 O\n0.666667 0.333333 0.983529 O\n0.753672 0.753672 0.983415 O\n0.000000 0.246328 0.983415 O\n0.246328 0.000000 0.983415 O\n0.167919 0.167919 0.356725 O\n0.000000 0.832081 0.356725 O\n0.832081 0.000000 0.356725 O\n0.539146 0.708281 0.409893 O\n0.169135 0.460854 0.409893 O\n0.291719 0.830865 0.409893 O\n0.830865 0.291719 0.409893 O\n0.460854 0.169135 0.409893 O\n0.708281 0.539146 0.409893 O\n",
"nsites": 22,
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"formula_full": "Tl3 V5 O14",
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},
{
"id": "mp-756991",
"created_at": "2022-09-04T14:41:21.316636Z",
"structure_string": "Li4 Co2 Cu3 Sb3 O16\n1.0\n3.046364 5.247799 0.000000\n-3.046364 5.247799 0.000000\n0.000000 0.090728 9.703951\nLi Co Cu Sb O\n4 2 3 3 16\ndirect\n0.329143 0.329143 0.102815 Li\n0.988413 0.988413 0.994160 Li\n0.975603 0.975603 0.512448 Li\n0.668453 0.668453 0.616343 Li\n0.356803 0.356803 0.524240 Co\n0.673090 0.673090 0.996405 Co\n0.172754 0.663609 0.788820 Cu\n0.663609 0.172754 0.788820 Cu\n0.834210 0.834210 0.280237 Cu\n0.173136 0.173136 0.783696 Sb\n0.340059 0.833402 0.285817 Sb\n0.833402 0.340059 0.285817 Sb\n0.167234 0.679565 0.394948 O\n0.481930 0.481930 0.644105 O\n0.336449 0.336449 0.892824 O\n0.997389 0.997389 0.698927 O\n0.013509 0.013509 0.177336 O\n0.679565 0.167234 0.394948 O\n0.035662 0.480950 0.660308 O\n0.480950 0.035662 0.660308 O\n0.821070 0.821070 0.911938 O\n0.158269 0.158269 0.401144 O\n0.514325 0.962211 0.163727 O\n0.962211 0.514325 0.163727 O\n0.655757 0.655757 0.403946 O\n0.324551 0.844034 0.901661 O\n0.516694 0.516694 0.161795 O\n0.844034 0.324551 0.901661 O\n",
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"Co",
"Cu",
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],
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"formula_full": "Li4 Co2 Cu3 Sb3 O16",
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{
"id": "mp-672338",
"created_at": "2022-09-04T14:41:21.319603Z",
"structure_string": "Cs4 Bi16 Te24\n1.0\n4.459792 0.000000 0.000000\n-0.018004 14.630971 0.000000\n-2.211509 -5.089402 25.807746\nCs Bi Te\n4 16 24\ndirect\n0.688738 0.515930 0.374954 Cs\n0.062956 0.510241 0.109616 Cs\n0.946357 0.491808 0.892812 Cs\n0.320203 0.482943 0.625664 Cs\n0.158876 0.091822 0.326877 Bi\n0.706431 0.911733 0.425823 Bi\n0.409930 0.061593 0.822447 Bi\n0.961601 0.861973 0.920024 Bi\n0.866898 0.250099 0.727452 Bi\n0.595699 0.936565 0.178080 Bi\n0.017643 0.788871 0.029853 Bi\n0.836714 0.907620 0.674587 Bi\n0.131709 0.749566 0.272588 Bi\n0.264620 0.739989 0.529321 Bi\n0.045941 0.136760 0.080167 Bi\n0.991871 0.209620 0.970481 Bi\n0.736460 0.259677 0.471072 Bi\n0.619210 0.276647 0.229744 Bi\n0.384473 0.721227 0.770090 Bi\n0.286591 0.088611 0.575496 Bi\n0.323622 0.758516 0.648820 Te\n0.535521 0.961060 0.065924 Te\n0.241204 0.400784 0.479044 Te\n0.893063 0.899233 0.790937 Te\n0.084709 0.786270 0.161691 Te\n0.875453 0.579287 0.752706 Te\n0.198547 0.759490 0.405846 Te\n0.673197 0.241049 0.351685 Te\n0.760108 0.598858 0.521485 Te\n0.108081 0.098696 0.210398 Te\n0.562737 0.278695 0.115384 Te\n0.348545 0.071065 0.692783 Te\n0.918434 0.212172 0.838226 Te\n0.441367 0.719965 0.884562 Te\n0.380086 0.389779 0.754062 Te\n0.773996 0.924506 0.550894 Te\n0.650056 0.928404 0.308414 Te\n0.619330 0.609515 0.246758 Te\n0.466861 0.036555 0.934700 Te\n0.508805 0.643417 0.015345 Te\n0.127704 0.418679 0.247889 Te\n0.225987 0.076155 0.450750 Te\n0.798691 0.241166 0.594923 Te\n0.497702 0.354819 0.986284 Te\n",
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{
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{
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{
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]
}