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{
"id": "mp-1208670",
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"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n0.000000 -4.188788 0.000000\n-8.618061 0.000000 0.000000\n0.000000 0.000000 -16.935518\nSr La Cu Se\n4 4 4 12\ndirect\n0.750000 0.738499 0.965153 Sr\n0.250000 0.261501 0.034847 Sr\n0.250000 0.761501 0.465153 Sr\n0.750000 0.238499 0.534847 Sr\n0.750000 0.906494 0.213402 La\n0.250000 0.093506 0.786598 La\n0.250000 0.593506 0.713402 La\n0.750000 0.406494 0.286598 La\n0.750000 0.877516 0.634713 Cu\n0.250000 0.122484 0.365287 Cu\n0.250000 0.622484 0.134713 Cu\n0.750000 0.377516 0.865287 Cu\n0.750000 0.820557 0.779270 Se\n0.250000 0.179443 0.220730 Se\n0.250000 0.679443 0.279270 Se\n0.750000 0.320557 0.720730 Se\n0.750000 0.986319 0.392966 Se\n0.250000 0.013681 0.607034 Se\n0.250000 0.513681 0.892966 Se\n0.750000 0.486319 0.107034 Se\n0.750000 0.614299 0.578597 Se\n0.250000 0.385701 0.421403 Se\n0.250000 0.885701 0.078597 Se\n0.750000 0.114299 0.921403 Se\n",
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{
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"structure_string": "Sr4 La4 Cu4 Se12\n1.0\n4.295688 0.000000 0.000000\n0.000000 8.565725 0.000000\n0.000000 0.000000 16.613808\nSr La Cu Se\n4 4 4 12\ndirect\n0.250000 0.090681 0.215551 Sr\n0.250000 0.590681 0.284449 Sr\n0.750000 0.909319 0.784449 Sr\n0.750000 0.409319 0.715551 Sr\n0.250000 0.258367 0.959792 La\n0.250000 0.758367 0.540208 La\n0.750000 0.741633 0.040208 La\n0.750000 0.241633 0.459792 La\n0.250000 0.121976 0.634202 Cu\n0.250000 0.621976 0.865798 Cu\n0.750000 0.878024 0.365798 Cu\n0.750000 0.378024 0.134202 Cu\n0.250000 0.377247 0.563839 Se\n0.250000 0.877247 0.936161 Se\n0.750000 0.622753 0.436161 Se\n0.750000 0.122753 0.063839 Se\n0.250000 0.178121 0.781237 Se\n0.250000 0.678121 0.718763 Se\n0.750000 0.821879 0.218763 Se\n0.750000 0.321879 0.281237 Se\n0.250000 0.008348 0.403185 Se\n0.250000 0.508348 0.096815 Se\n0.750000 0.991652 0.596815 Se\n0.750000 0.491652 0.903185 Se\n",
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"volume": 611.3163975354312,
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"formula_full": "Sr4 La4 Cu4 Se12",
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{
"id": "mp-1521737",
"created_at": "2022-09-04T14:46:41.990304Z",
"structure_string": "Sr4 La4 Dy4 Sn4 O24\n1.0\n8.378188 0.000000 0.000000\n0.000000 8.400637 0.000000\n0.000000 0.000000 8.416360\nSr La Dy Sn O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n-0.000000 0.500000 0.000000 Sr\n-0.000000 0.000000 0.500000 Sr\n-0.000000 0.500000 0.500000 La\n0.500000 0.000000 0.000000 La\n-0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Dy\n0.250000 0.250000 0.750000 Dy\n0.250000 0.750000 0.250000 Dy\n0.750000 0.250000 0.250000 Dy\n0.250000 0.250000 0.250000 Sn\n0.750000 0.750000 0.250000 Sn\n0.750000 0.250000 0.750000 Sn\n0.250000 0.750000 0.750000 Sn\n0.008637 0.202877 0.281939 O\n0.991363 0.797123 0.281939 O\n0.991363 0.202877 0.718061 O\n0.008637 0.797123 0.718061 O\n0.286832 0.008051 0.193716 O\n0.286832 0.991949 0.806284 O\n0.713168 0.991949 0.193716 O\n0.713168 0.008051 0.806284 O\n0.202370 0.278529 0.008799 O\n0.797630 0.278529 0.991201 O\n0.202370 0.721471 0.991201 O\n0.797630 0.721471 0.008799 O\n0.491363 0.297123 0.218061 O\n0.508637 0.702877 0.218061 O\n0.508637 0.297123 0.781939 O\n0.491363 0.702877 0.781939 O\n0.213168 0.491949 0.306284 O\n0.213168 0.508051 0.693716 O\n0.786832 0.508051 0.306284 O\n0.786832 0.491949 0.693716 O\n0.297630 0.221471 0.491201 O\n0.702370 0.221471 0.508799 O\n0.297630 0.778529 0.508799 O\n0.702370 0.778529 0.491201 O\n",
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"formula_full": "Sr4 La4 Dy4 Sn4 O24",
"formula_reduced": "SrLaDySnO6",
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{
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"created_at": "2022-09-04T14:43:55.210193Z",
"structure_string": "Sr4 La4 Eu4 Nb4 O24\n1.0\n8.596675 0.000000 0.000000\n0.000000 8.600782 0.000000\n0.000000 0.000000 8.582570\nSr La Eu Nb O\n4 4 4 4 24\ndirect\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 -0.000000 Sr\n0.749713 0.749717 0.749863 La\n0.250287 0.250283 0.749863 La\n0.250287 0.749717 0.250137 La\n0.749713 0.250283 0.250137 La\n0.500000 0.000000 -0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250515 0.250677 0.249729 Nb\n0.749485 0.749323 0.249729 Nb\n0.749485 0.250677 0.750271 Nb\n0.250515 0.749323 0.750271 Nb\n0.021055 0.195666 0.293223 O\n0.978945 0.804334 0.293223 O\n0.978945 0.195666 0.706777 O\n0.021055 0.804334 0.706777 O\n0.293008 0.021069 0.195969 O\n0.293008 0.978931 0.804031 O\n0.706992 0.978931 0.195969 O\n0.706992 0.021069 0.804031 O\n0.197267 0.291439 0.021460 O\n0.802733 0.291439 0.978540 O\n0.197267 0.708561 0.978540 O\n0.802733 0.708561 0.021460 O\n0.478599 0.302256 0.208204 O\n0.521401 0.697744 0.208204 O\n0.521401 0.302256 0.791796 O\n0.478599 0.697744 0.791796 O\n0.208364 0.478339 0.302635 O\n0.208364 0.521661 0.697365 O\n0.791636 0.521661 0.302635 O\n0.791636 0.478339 0.697365 O\n0.302367 0.207982 0.478809 O\n0.697633 0.207982 0.521191 O\n0.302367 0.792018 0.521191 O\n0.697633 0.792018 0.478809 O\n",
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"formula_full": "Sr4 La4 Eu4 Nb4 O24",
"formula_reduced": "SrLaEuNbO6",
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{
"id": "mp-1173276",
"created_at": "2022-09-04T14:39:48.281398Z",
"structure_string": "Sr4 La4 Fe2 Cu6 O20\n1.0\n3.990961 0.000000 0.000000\n0.000000 10.701725 0.000000\n0.000000 0.000000 10.781597\nSr La Fe Cu O\n4 4 2 6 20\ndirect\n0.500000 0.518418 0.251464 Sr\n0.500000 0.481582 0.748536 Sr\n0.500000 0.018418 0.248536 Sr\n0.500000 0.981582 0.751464 Sr\n0.500000 0.255030 0.471491 La\n0.500000 0.744970 0.528509 La\n0.500000 0.244970 0.971491 La\n0.500000 0.755030 0.028509 La\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.000000 0.231965 0.728719 Cu\n0.000000 0.731965 0.771281 Cu\n0.000000 0.268035 0.228719 Cu\n0.000000 0.768035 0.271281 Cu\n0.000000 0.397205 0.346539 O\n0.000000 0.335199 0.589302 O\n0.000000 0.102795 0.846539 O\n0.000000 0.664801 0.410698 O\n0.000000 0.602795 0.653461 O\n0.000000 0.371553 0.883577 O\n0.000000 0.871553 0.616423 O\n0.000000 0.835199 0.910698 O\n0.500000 0.000000 0.000000 O\n0.500000 0.267867 0.228051 O\n0.500000 0.000000 0.500000 O\n0.500000 0.232133 0.728051 O\n0.500000 0.500000 0.000000 O\n0.500000 0.767867 0.271949 O\n0.500000 0.732133 0.771949 O\n0.500000 0.500000 0.500000 O\n0.000000 0.128447 0.383577 O\n0.000000 0.164801 0.089302 O\n0.000000 0.628447 0.116423 O\n0.000000 0.897205 0.153461 O\n",
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"formula_full": "Sr4 La4 Fe2 Cu6 O20",
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{
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"formula_full": "Sr4 La4 Fe4 Sn4 O24",
"formula_reduced": "SrLaFeSnO6",
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"energy": -304.41394721,
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{
"id": "mp-1218221",
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"structure_string": "Sr4 La4 In4 O16\n1.0\n0.000000 0.000000 -5.981847\n0.000000 -5.990761 0.000000\n-12.539171 0.000000 0.000000\nSr La In O\n4 4 4 16\ndirect\n0.469100 0.014308 0.353209 Sr\n0.030900 0.514308 0.646791 Sr\n0.469100 0.514308 0.146791 Sr\n0.030900 0.014308 0.853209 Sr\n0.549184 0.485796 0.853781 La\n0.950816 0.985796 0.146219 La\n0.549184 0.985796 0.646219 La\n0.950816 0.485796 0.353781 La\n0.496417 0.998346 0.000709 In\n0.496417 0.498346 0.499291 In\n0.003583 0.498346 0.999291 In\n0.003583 0.998346 0.500709 In\n0.720786 0.778642 0.469521 O\n0.290180 0.707136 0.965662 O\n0.779214 0.278642 0.530479 O\n0.209820 0.207136 0.034338 O\n0.290180 0.207136 0.534338 O\n0.720786 0.278642 0.030479 O\n0.209820 0.707136 0.465662 O\n0.779214 0.778642 0.969521 O\n0.562569 0.918988 0.171589 O\n0.469767 0.596785 0.677075 O\n0.937431 0.418988 0.828411 O\n0.030233 0.096785 0.322925 O\n0.469767 0.096785 0.822925 O\n0.562569 0.418988 0.328411 O\n0.030233 0.596785 0.177075 O\n0.937431 0.918988 0.671589 O\n",
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"elements": [
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"density": 5.991610577413564,
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"volume": 449.351421181982,
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"formula_full": "Sr4 La4 In4 O16",
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"spacegroup": 29
},
{
"id": "mp-1173267",
"created_at": "2022-09-04T14:43:24.417652Z",
"structure_string": "Sr4 La4 Mg2 Mn2 O16\n1.0\n3.644757 -0.100070 -1.356681\n-1.646949 14.478810 -5.477316\n0.484327 0.514586 6.840883\nSr La Mg Mn O\n4 4 2 2 16\ndirect\n0.358140 0.089442 0.714699 Sr\n0.355478 0.339389 0.713425 Sr\n0.641860 0.160558 0.285301 Sr\n0.644522 0.910611 0.286575 Sr\n0.355411 0.587685 0.725855 La\n0.361673 0.837578 0.722829 La\n0.638327 0.412422 0.277171 La\n0.644589 0.662315 0.274145 La\n0.996109 0.497747 0.995123 Mg\n0.003891 0.752253 0.004877 Mg\n0.001673 0.001196 0.002389 Mn\n0.998327 0.248804 0.997611 Mn\n0.000000 0.125000 0.000000 O\n0.002562 0.369516 0.004968 O\n0.000000 0.625000 0.000000 O\n0.997438 0.880484 0.995032 O\n0.157759 0.039593 0.312767 O\n0.156192 0.293296 0.317432 O\n0.170092 0.540388 0.357903 O\n0.173295 0.787376 0.352585 O\n0.496845 0.998859 0.990009 O\n0.503155 0.251141 0.009991 O\n0.504101 0.498587 0.010131 O\n0.495899 0.751413 0.989869 O\n0.842241 0.210407 0.687233 O\n0.826705 0.462624 0.647415 O\n0.829908 0.709612 0.642097 O\n0.843808 0.956704 0.682568 O\n",
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"formula_full": "Sr4 La4 Mg2 Mn2 O16",
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