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{
"id": "mp-569894",
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"structure_string": "La4 B4 Cl5\n1.0\n2.143606 8.399342 0.000000\n-2.143606 8.399342 0.000000\n0.000000 4.775389 8.068874\nLa B Cl\n4 4 5\ndirect\n0.160062 0.160062 0.763273 La\n0.560448 0.560448 0.202351 La\n0.439552 0.439552 0.797649 La\n0.839938 0.839938 0.236727 La\n0.023977 0.023977 0.076821 B\n0.685367 0.314633 0.000000 B\n0.976023 0.976023 0.923179 B\n0.314633 0.685367 0.000000 B\n0.247411 0.247411 0.151674 Cl\n0.000000 0.000000 0.500000 Cl\n0.351193 0.351193 0.443340 Cl\n0.648807 0.648807 0.556660 Cl\n0.752589 0.752589 0.848326 Cl\n",
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{
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"structure_string": "Pu8 C12\n1.0\n-4.076430 4.076430 4.076430\n4.076430 -4.076430 4.076430\n4.076430 4.076430 -4.076430\nPu C\n8 12\ndirect\n0.500000 0.000000 0.598633 Pu\n0.098633 0.500000 0.000000 Pu\n0.401367 0.401367 0.401367 Pu\n0.000000 0.098633 0.500000 Pu\n0.901367 0.901367 0.901367 Pu\n0.000000 0.598633 0.500000 Pu\n0.598633 0.500000 0.000000 Pu\n0.500000 0.000000 0.098633 Pu\n0.789962 0.250000 0.039962 C\n0.960038 0.250000 0.210038 C\n0.750000 0.289962 0.539962 C\n0.210038 0.960038 0.250000 C\n0.250000 0.210038 0.960038 C\n0.289962 0.539962 0.750000 C\n0.710038 0.750000 0.460038 C\n0.039962 0.789962 0.250000 C\n0.539962 0.750000 0.289962 C\n0.750000 0.460038 0.710038 C\n0.250000 0.039962 0.789962 C\n0.460038 0.710038 0.750000 C\n",
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"spacegroup": 220
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{
"id": "mp-1181790",
"created_at": "2022-09-04T14:39:29.039697Z",
"structure_string": "Co4 H16 Se4 O20\n1.0\n6.470267 0.000000 -1.019985\n0.000000 8.937952 0.000000\n0.004259 0.000000 7.772009\nCo H Se O\n4 16 4 20\ndirect\n0.153327 0.134439 0.981499 Co\n0.653327 0.365561 0.481499 Co\n0.846673 0.865561 0.018501 Co\n0.346673 0.634439 0.518501 Co\n0.006187 0.986393 0.699936 H\n0.506187 0.513607 0.199936 H\n0.993813 0.013607 0.300064 H\n0.493813 0.486393 0.800064 H\n0.058608 0.148311 0.626820 H\n0.558608 0.351689 0.126820 H\n0.941392 0.851689 0.373180 H\n0.441392 0.648311 0.873180 H\n0.168157 0.422891 0.884295 H\n0.668157 0.077109 0.384295 H\n0.831843 0.577109 0.115705 H\n0.331843 0.922891 0.615705 H\n0.931363 0.360608 0.861532 H\n0.431363 0.139392 0.361532 H\n0.068637 0.639392 0.138468 H\n0.568637 0.860608 0.638468 H\n0.897213 0.655678 0.662047 Se\n0.397213 0.844322 0.162047 Se\n0.102787 0.344322 0.337953 Se\n0.602787 0.155678 0.837953 Se\n0.817607 0.828008 0.731635 O\n0.317607 0.671992 0.231635 O\n0.182393 0.171992 0.268365 O\n0.682393 0.328008 0.768365 O\n0.829001 0.090131 0.966405 O\n0.329001 0.409869 0.466405 O\n0.170999 0.909869 0.033595 O\n0.670999 0.590131 0.533595 O\n0.038753 0.706456 0.501400 O\n0.538753 0.793544 0.001400 O\n0.961247 0.293544 0.498600 O\n0.461247 0.206456 0.998600 O\n0.115412 0.063977 0.706434 O\n0.615412 0.436023 0.206434 O\n0.884588 0.936023 0.293566 O\n0.384588 0.563977 0.793566 O\n0.072990 0.354283 0.931451 O\n0.572990 0.145717 0.431451 O\n0.927010 0.645717 0.068549 O\n0.427010 0.854283 0.568549 O\n",
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"formula_full": "Co4 H16 Se4 O20",
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"spacegroup": 14
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{
"id": "mp-1177954",
"created_at": "2022-09-04T14:39:43.070900Z",
"structure_string": "Li8 Fe4 F16\n1.0\n8.628198 0.000000 0.000000\n0.000000 8.628198 0.000000\n0.000000 0.000000 6.515448\nLi Fe F\n8 4 16\ndirect\n0.773202 0.251505 0.500000 Li\n0.251505 0.226798 0.000000 Li\n0.751505 0.273202 0.000000 Li\n0.273202 0.248495 0.500000 Li\n0.726798 0.751505 0.500000 Li\n0.248495 0.726798 0.000000 Li\n0.748495 0.773202 0.000000 Li\n0.226798 0.748495 0.500000 Li\n0.500000 0.000000 0.250000 Fe\n0.500000 0.000000 0.750000 Fe\n0.000000 0.500000 0.750000 Fe\n0.000000 0.500000 0.250000 Fe\n0.614092 0.112495 0.000000 F\n0.612495 0.114092 0.500000 F\n0.331955 0.168045 0.250000 F\n0.331955 0.168045 0.750000 F\n0.831955 0.331955 0.250000 F\n0.831955 0.331955 0.750000 F\n0.112495 0.385908 0.500000 F\n0.114092 0.387505 0.000000 F\n0.885908 0.612495 0.000000 F\n0.887505 0.614092 0.500000 F\n0.168045 0.668045 0.250000 F\n0.168045 0.668045 0.750000 F\n0.668045 0.831955 0.250000 F\n0.668045 0.831955 0.750000 F\n0.387505 0.885908 0.500000 F\n0.385908 0.887505 0.000000 F\n",
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"density": 1.9954717747079904,
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"formula_full": "Li8 Fe4 F16",
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{
"id": "mp-866503",
"created_at": "2022-09-04T14:39:40.567609Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n6.586336 0.000000 0.000000\n0.000000 8.294765 0.000000\n0.000000 0.000000 13.990801\nCa Sn S\n8 4 16\ndirect\n0.000000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.488208 0.750000 0.226360 Ca\n0.011792 0.750000 0.726360 Ca\n0.511792 0.250000 0.773640 Ca\n0.988208 0.250000 0.273640 Ca\n0.913371 0.750000 0.404734 Sn\n0.586629 0.750000 0.904734 Sn\n0.086629 0.250000 0.595266 Sn\n0.413371 0.250000 0.095266 Sn\n0.759578 0.750000 0.563009 S\n0.740422 0.750000 0.063009 S\n0.240422 0.250000 0.436991 S\n0.259578 0.250000 0.936991 S\n0.276525 0.750000 0.406957 S\n0.223475 0.750000 0.906957 S\n0.723475 0.250000 0.593043 S\n0.776525 0.250000 0.093043 S\n0.745762 0.523647 0.328431 S\n0.754238 0.976353 0.828431 S\n0.254238 0.023647 0.671569 S\n0.245762 0.476353 0.171569 S\n0.254238 0.476353 0.671569 S\n0.245762 0.023647 0.171569 S\n0.745762 0.976353 0.328431 S\n0.754238 0.523647 0.828431 S\n",
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"volume": 764.3469698608237,
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"formula_full": "Ca8 Sn4 S16",
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{
"id": "mp-755204",
"created_at": "2022-09-04T14:39:15.708350Z",
"structure_string": "Li4 Mn1 Fe3 B4 O12\n1.0\n5.162086 0.000000 0.000000\n0.221627 6.180492 0.000000\n0.205283 1.618414 7.916621\nLi Mn Fe B O\n4 1 3 4 12\ndirect\n0.914211 0.523572 0.147459 Li\n0.418658 0.026691 0.650043 Li\n0.583984 0.977541 0.350575 Li\n0.084077 0.474565 0.850691 Li\n0.096943 0.737950 0.490360 Mn\n0.409248 0.759124 0.012126 Fe\n0.906434 0.251878 0.509982 Fe\n0.588137 0.241976 0.987847 Fe\n0.093310 0.093119 0.168801 B\n0.402235 0.409786 0.329899 B\n0.598423 0.587663 0.669541 B\n0.905266 0.910498 0.832445 B\n0.979097 0.250531 0.044664 O\n0.955028 0.002900 0.314958 O\n0.355943 0.027952 0.152138 O\n0.541749 0.506732 0.185618 O\n0.518102 0.251049 0.452475 O\n0.140366 0.472093 0.346059 O\n0.856973 0.518668 0.652969 O\n0.488445 0.752901 0.547764 O\n0.456144 0.494627 0.813436 O\n0.642762 0.973071 0.849017 O\n0.044324 0.005298 0.687184 O\n0.020141 0.749817 0.953946 O\n",
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{
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"structure_string": "Eu8 I16\n1.0\n7.925811 0.000000 0.000000\n0.000000 8.260417 0.000000\n0.000000 0.000000 15.310754\nEu I\n8 16\ndirect\n0.222815 0.448020 0.390229 Eu\n0.277185 0.948020 0.609771 Eu\n0.777185 0.551980 0.609771 Eu\n0.222815 0.948020 0.109771 Eu\n0.722815 0.051980 0.390229 Eu\n0.722815 0.551980 0.109771 Eu\n0.277185 0.448020 0.890229 Eu\n0.777185 0.051980 0.890229 Eu\n0.662651 0.393046 0.797569 I\n0.993762 0.231471 0.533629 I\n0.506238 0.231471 0.033629 I\n0.506238 0.731471 0.466371 I\n0.162651 0.106954 0.797569 I\n0.162651 0.606954 0.702431 I\n0.837349 0.393046 0.297569 I\n0.993762 0.731471 0.966371 I\n0.493762 0.268529 0.533629 I\n0.493762 0.768529 0.966371 I\n0.337349 0.106954 0.297569 I\n0.662651 0.893046 0.702431 I\n0.006238 0.768529 0.466371 I\n0.006238 0.268529 0.033629 I\n0.337349 0.606954 0.202431 I\n0.837349 0.893046 0.202431 I\n",
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{
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{
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"structure_string": "Li5 Fe8 B8 O24\n1.0\n-5.257645 0.000000 0.000000\n-0.032742 -9.099815 0.000000\n2.494624 4.451094 10.150347\nLi Fe B O\n5 8 8 24\ndirect\n0.028663 0.030848 0.400750 Li\n0.487141 0.509776 0.664286 Li\n0.525375 0.528936 0.394004 Li\n0.988422 0.009650 0.667217 Li\n0.758156 0.746425 0.157807 Li\n0.021353 0.352344 0.370884 Fe\n0.273428 0.937727 0.888835 Fe\n0.470346 0.157209 0.630772 Fe\n0.238917 0.553736 0.127127 Fe\n0.771845 0.436497 0.885267 Fe\n0.522582 0.849270 0.380878 Fe\n0.970397 0.658103 0.631420 Fe\n0.746308 0.067374 0.126605 Fe\n0.025538 0.683337 0.376707 B\n0.262083 0.601752 0.874188 B\n0.478014 0.816029 0.626859 B\n0.237186 0.890605 0.130274 B\n0.519236 0.192506 0.381279 B\n0.765898 0.101703 0.874611 B\n0.972940 0.314199 0.622365 B\n0.730764 0.403119 0.136207 B\n0.012112 0.070181 0.856307 O\n0.136627 0.717668 0.837961 O\n0.132352 0.510781 0.919601 O\n0.080746 0.170790 0.608447 O\n0.086666 0.421665 0.583000 O\n0.247268 0.848666 0.671534 O\n0.266565 0.659668 0.347479 O\n0.512914 0.574231 0.858990 O\n0.642099 0.220428 0.840899 O\n0.414524 0.079883 0.415601 O\n0.387678 0.323699 0.381562 O\n0.635227 0.014435 0.922366 O\n0.348828 0.985313 0.079421 O\n0.583889 0.671723 0.609805 O\n0.597700 0.928307 0.595523 O\n0.394667 0.785490 0.168667 O\n0.485771 0.404711 0.149666 O\n0.748033 0.350450 0.671567 O\n0.766930 0.175622 0.349874 O\n0.915008 0.573369 0.415548 O\n0.892267 0.810087 0.366249 O\n0.831736 0.503707 0.083836 O\n0.902210 0.305217 0.180270 O\n0.983741 0.901730 0.143446 O\n",
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