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{
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{
"id": "mp-1219252",
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{
"id": "mp-779342",
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"structure_string": "Li12 Mn1 V7 P12 O48\n1.0\n8.734675 0.000000 0.000000\n0.051255 8.748458 0.000000\n0.180003 0.035503 12.166484\nLi Mn V P O\n12 1 7 12 48\ndirect\n0.073177 0.081261 0.302546 Li\n0.080695 0.697654 0.236562 Li\n0.206845 0.783660 0.825514 Li\n0.292037 0.281714 0.674164 Li\n0.416394 0.197756 0.262063 Li\n0.427174 0.580650 0.197434 Li\n0.574259 0.417794 0.803506 Li\n0.583998 0.802561 0.737366 Li\n0.708983 0.717653 0.324272 Li\n0.791985 0.218427 0.173387 Li\n0.916234 0.302563 0.763121 Li\n0.926596 0.919246 0.697514 Li\n0.752993 0.538961 0.108375 Mn\n0.246941 0.530151 0.390042 V\n0.253343 0.029278 0.109776 V\n0.246927 0.462113 0.890943 V\n0.252884 0.962036 0.610471 V\n0.747304 0.037920 0.389718 V\n0.746626 0.969672 0.891031 V\n0.753197 0.470092 0.609397 V\n0.036374 0.247917 0.506954 P\n0.103417 0.382809 0.148722 P\n0.105144 0.104802 0.851244 P\n0.394137 0.604776 0.648630 P\n0.397352 0.882613 0.351993 P\n0.462913 0.747677 0.991944 P\n0.535582 0.248631 0.006982 P\n0.602723 0.117228 0.648066 P\n0.605851 0.395715 0.350756 P\n0.895668 0.897313 0.150155 P\n0.896544 0.616816 0.852229 P\n0.964320 0.752491 0.493174 P\n0.049352 0.867080 0.566131 O\n0.074368 0.888707 0.147888 O\n0.069981 0.681763 0.403036 O\n0.070513 0.594582 0.830664 O\n0.108025 0.365649 0.428244 O\n0.143584 0.215354 0.181942 O\n0.145859 0.411712 0.027930 O\n0.144956 0.982729 0.760755 O\n0.159589 0.265813 0.812630 O\n0.169412 0.168612 0.568555 O\n0.172932 0.050969 0.957533 O\n0.194379 0.501079 0.218472 O\n0.305181 0.001090 0.281462 O\n0.326906 0.551812 0.541927 O\n0.329845 0.669415 0.930759 O\n0.339090 0.765850 0.686544 O\n0.355398 0.910666 0.472674 O\n0.358484 0.714804 0.318640 O\n0.354444 0.482650 0.739340 O\n0.392402 0.865294 0.070842 O\n0.427570 0.178754 0.096234 O\n0.427413 0.386440 0.351972 O\n0.429393 0.095386 0.669082 O\n0.450019 0.366271 0.934264 O\n0.546923 0.631225 0.066172 O\n0.570566 0.903994 0.330505 O\n0.572742 0.614692 0.647415 O\n0.569332 0.817706 0.902379 O\n0.603782 0.131469 0.925288 O\n0.645516 0.519062 0.260238 O\n0.641158 0.285182 0.681402 O\n0.644696 0.088701 0.527473 O\n0.659976 0.234420 0.313507 O\n0.668252 0.322786 0.067740 O\n0.672900 0.448039 0.458034 O\n0.695042 0.999029 0.718722 O\n0.804958 0.499340 0.782029 O\n0.827381 0.948885 0.042302 O\n0.830775 0.832261 0.431933 O\n0.843866 0.738731 0.191530 O\n0.856274 0.021703 0.239205 O\n0.859856 0.591761 0.974594 O\n0.857872 0.784658 0.817564 O\n0.892546 0.634720 0.572157 O\n0.929395 0.403152 0.170308 O\n0.930149 0.318735 0.597343 O\n0.926440 0.114347 0.852202 O\n0.951889 0.132979 0.434387 O\n",
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"formula_full": "Li12 Mn1 V7 P12 O48",
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{
"id": "mp-1217443",
"created_at": "2022-09-04T14:40:04.301401Z",
"structure_string": "Te6 Pd21\n1.0\n7.758089 -4.487661 0.000000\n7.758089 4.487661 0.000000\n5.162205 0.000000 7.326574\nTe Pd\n6 21\ndirect\n0.128008 0.128008 0.128008 Te\n0.871992 0.871992 0.871992 Te\n0.500000 0.500000 0.500000 Te\n0.000000 0.500000 0.500000 Te\n0.500000 0.500000 0.000000 Te\n0.500000 0.000000 0.500000 Te\n0.864398 0.384070 0.384070 Pd\n0.391127 0.865112 0.865112 Pd\n0.384070 0.384070 0.864398 Pd\n0.865112 0.865112 0.391127 Pd\n0.865112 0.391127 0.865112 Pd\n0.384070 0.864398 0.384070 Pd\n0.135602 0.615930 0.615930 Pd\n0.608873 0.134888 0.134888 Pd\n0.615930 0.615930 0.135602 Pd\n0.134888 0.134888 0.608873 Pd\n0.134888 0.608873 0.134888 Pd\n0.615930 0.135602 0.615930 Pd\n0.242666 0.242666 0.242666 Pd\n0.779273 0.237595 0.237595 Pd\n0.237595 0.237595 0.779273 Pd\n0.237595 0.779273 0.237595 Pd\n0.757334 0.757334 0.757334 Pd\n0.220727 0.762405 0.762405 Pd\n0.762405 0.762405 0.220727 Pd\n0.762405 0.220727 0.762405 Pd\n0.000000 0.000000 0.000000 Pd\n",
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"chemical_system": "Pd-Te",
"density": 9.766195480799555,
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"formula_full": "Te6 Pd21",
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{
"id": "mp-776589",
"created_at": "2022-09-04T14:40:04.303661Z",
"structure_string": "Li18 Sb6 P16 O58\n1.0\n5.102046 -8.837004 0.000000\n5.102046 8.837004 0.000000\n0.000000 0.000000 14.143589\nLi Sb P O\n18 6 16 58\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.329176 0.226525 0.061929 Li\n0.329176 0.102651 0.561929 Li\n0.773475 0.670824 0.561929 Li\n0.666667 0.333333 0.879883 Li\n0.666667 0.333333 0.379883 Li\n0.897349 0.670824 0.061929 Li\n0.773475 0.102651 0.061929 Li\n0.102651 0.773475 0.438071 Li\n0.897349 0.226525 0.561929 Li\n0.226525 0.897349 0.938071 Li\n0.102651 0.329176 0.938071 Li\n0.333333 0.666667 0.120117 Li\n0.333333 0.666667 0.620117 Li\n0.226525 0.329176 0.438071 Li\n0.670824 0.897349 0.438071 Li\n0.670824 0.773475 0.938071 Li\n0.431272 0.431272 0.250000 Sb\n0.568728 0.568728 0.750000 Sb\n0.431272 0.000000 0.750000 Sb\n0.568728 0.000000 0.250000 Sb\n0.000000 0.568728 0.250000 Sb\n0.000000 0.431272 0.750000 Sb\n0.307611 0.220363 0.846843 P\n0.307611 0.087248 0.346843 P\n0.779637 0.692389 0.346843 P\n0.666667 0.333333 0.612934 P\n0.666667 0.333333 0.112934 P\n0.912752 0.692389 0.846843 P\n0.087248 0.779637 0.653157 P\n0.779637 0.087248 0.846843 P\n0.220363 0.912752 0.153157 P\n0.912752 0.220363 0.346843 P\n0.087248 0.307611 0.153157 P\n0.333333 0.666667 0.387066 P\n0.333333 0.666667 0.887066 P\n0.220363 0.307611 0.653157 P\n0.692389 0.912752 0.653157 P\n0.692389 0.779637 0.153157 P\n0.222690 0.222690 0.750000 O\n0.225263 0.217568 0.568498 O\n0.301619 0.235990 0.346778 O\n0.222690 0.000000 0.250000 O\n0.225263 0.007696 0.068498 O\n0.301619 0.065629 0.846778 O\n0.473185 0.348348 0.844008 O\n0.509725 0.305980 0.150792 O\n0.651652 0.526815 0.344008 O\n0.782432 0.774737 0.068498 O\n0.777310 0.777310 0.250000 O\n0.764010 0.698381 0.846778 O\n0.509725 0.203745 0.650792 O\n0.473185 0.124837 0.344008 O\n0.694020 0.490275 0.650792 O\n0.666667 0.333333 0.506381 O\n0.666667 0.333333 0.006381 O\n0.796255 0.490275 0.150792 O\n0.651652 0.124837 0.844008 O\n0.694020 0.203745 0.150792 O\n0.934371 0.698381 0.346778 O\n0.000000 0.777310 0.750000 O\n0.992304 0.774737 0.568498 O\n0.007696 0.782432 0.931502 O\n0.875163 0.526815 0.844008 O\n0.796255 0.305980 0.650792 O\n0.065629 0.764010 0.153222 O\n0.875163 0.348348 0.344008 O\n0.764010 0.065629 0.346778 O\n0.217568 0.992304 0.431502 O\n0.782432 0.007696 0.568498 O\n0.777310 0.000000 0.750000 O\n0.235990 0.934371 0.653222 O\n0.124837 0.651652 0.655992 O\n0.934371 0.235990 0.846778 O\n0.203745 0.694020 0.349208 O\n0.124837 0.473185 0.155992 O\n0.992304 0.217568 0.068498 O\n0.007696 0.225263 0.431502 O\n0.000000 0.222690 0.250000 O\n0.065629 0.301619 0.653222 O\n0.305980 0.796255 0.849208 O\n0.348348 0.875163 0.155992 O\n0.203745 0.509725 0.849208 O\n0.333333 0.666667 0.493619 O\n0.333333 0.666667 0.993619 O\n0.305980 0.509725 0.349208 O\n0.526815 0.875163 0.655992 O\n0.490275 0.796255 0.349208 O\n0.235990 0.301619 0.153222 O\n0.217568 0.225263 0.931502 O\n0.348348 0.473185 0.655992 O\n0.490275 0.694020 0.849208 O\n0.526815 0.651652 0.155992 O\n0.698381 0.934371 0.153222 O\n0.774737 0.992304 0.931502 O\n0.698381 0.764010 0.653222 O\n0.774737 0.782432 0.431502 O\n",
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{
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"formula_full": "V1 Fe2 Si1",
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{
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{
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{
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"structure_string": "Rb2 Sc1 Au1 F6\n1.0\n0.000000 4.534451 4.534451\n4.534451 0.000000 4.534451\n4.534451 4.534451 0.000000\nRb Sc Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Sc\n0.500000 0.500000 0.500000 Au\n0.224157 0.224157 0.775843 F\n0.224157 0.775843 0.775843 F\n0.775843 0.775843 0.224157 F\n0.224157 0.775843 0.224157 F\n0.775843 0.224157 0.775843 F\n0.775843 0.224157 0.224157 F\n",
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{
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{
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{
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"structure_string": "Rb4 Si4 Bi4 S16\n1.0\n6.890405 0.000000 0.000000\n0.000000 6.584706 0.000000\n0.000000 5.618635 17.308758\nRb Si Bi S\n4 4 4 16\ndirect\n0.253246 0.709782 0.036000 Rb\n0.246754 0.709782 0.536000 Rb\n0.753246 0.290218 0.464000 Rb\n0.746754 0.290218 0.964000 Rb\n0.270826 0.202340 0.840621 Si\n0.229174 0.202340 0.340621 Si\n0.770826 0.797660 0.659379 Si\n0.729174 0.797660 0.159379 Si\n0.809554 0.239150 0.223226 Bi\n0.190446 0.760850 0.776774 Bi\n0.690446 0.239150 0.723226 Bi\n0.309554 0.760850 0.276774 Bi\n0.515446 0.990923 0.645923 S\n0.181156 0.397721 0.222290 S\n0.484554 0.009077 0.354077 S\n0.015446 0.009077 0.854077 S\n0.318844 0.397721 0.722290 S\n0.245363 0.408649 0.910040 S\n0.754637 0.591351 0.089960 S\n0.818844 0.602279 0.777710 S\n0.745363 0.591351 0.589960 S\n0.254637 0.408649 0.410040 S\n0.507792 0.986701 0.865197 S\n0.007792 0.013299 0.634803 S\n0.492208 0.013299 0.134803 S\n0.984554 0.990923 0.145923 S\n0.992208 0.986701 0.365197 S\n0.681156 0.602279 0.277710 S\n",
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}