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{
"id": "mp-1028348",
"created_at": "2022-09-04T14:42:00.975768Z",
"structure_string": "Mg14 Ni1 B1\n1.0\n6.205897 0.000000 -0.000000\n-3.102948 5.374464 -0.000000\n-0.000000 0.000000 9.811636\nMg Ni B\n14 1 1\ndirect\n0.166662 0.833330 0.125000 Mg\n0.166076 0.833038 0.625000 Mg\n0.666670 0.333338 0.125000 Mg\n0.666962 0.333924 0.625000 Mg\n0.666670 0.833330 0.125000 Mg\n0.666962 0.833038 0.625000 Mg\n0.325166 0.174834 0.374995 Mg\n0.325166 0.174834 0.875005 Mg\n0.325166 0.650332 0.374995 Mg\n0.325166 0.650332 0.875005 Mg\n0.849668 0.174834 0.374995 Mg\n0.849668 0.174834 0.875005 Mg\n0.833333 0.666667 0.373345 Mg\n0.833333 0.666667 0.876655 Mg\n0.166667 0.333333 0.125000 Ni\n0.166667 0.333333 0.625000 B\n",
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{
"id": "mp-1176530",
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{
"id": "mp-641565",
"created_at": "2022-09-04T14:42:00.783973Z",
"structure_string": "Er20 Sb12\n1.0\n8.083002 0.000000 0.000000\n0.000000 9.236338 0.000000\n0.000000 0.000000 11.779730\nEr Sb\n20 12\ndirect\n0.673450 0.750000 0.272182 Er\n0.308658 0.557708 0.433142 Er\n0.846132 0.250000 0.790830 Er\n0.191342 0.942292 0.933142 Er\n0.308658 0.942292 0.433142 Er\n0.691342 0.442292 0.566858 Er\n0.808658 0.442292 0.066858 Er\n0.974906 0.750000 0.495835 Er\n0.153868 0.750000 0.209170 Er\n0.326550 0.250000 0.727818 Er\n0.474906 0.250000 0.004165 Er\n0.808658 0.057708 0.066858 Er\n0.191342 0.557708 0.933142 Er\n0.025094 0.250000 0.504165 Er\n0.346132 0.750000 0.709170 Er\n0.691342 0.057708 0.566858 Er\n0.525094 0.750000 0.995835 Er\n0.826550 0.750000 0.772182 Er\n0.653868 0.250000 0.290830 Er\n0.173450 0.250000 0.227818 Er\n0.094887 0.250000 0.977316 Sb\n0.934255 0.490646 0.326622 Sb\n0.434255 0.990646 0.173378 Sb\n0.065745 0.990646 0.673378 Sb\n0.434255 0.509354 0.173378 Sb\n0.594887 0.750000 0.522684 Sb\n0.405113 0.250000 0.477316 Sb\n0.565745 0.490646 0.826622 Sb\n0.065745 0.509354 0.673378 Sb\n0.905113 0.750000 0.022684 Sb\n0.565745 0.009354 0.826622 Sb\n0.934255 0.009354 0.326622 Sb\n",
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"elements": [
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"formula_full": "Er20 Sb12",
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{
"id": "mp-1179542",
"created_at": "2022-09-04T14:42:00.825249Z",
"structure_string": "Zn12 B28 Br4 O52\n1.0\n8.657466 0.000000 0.000000\n0.000000 8.665210 0.000000\n0.000000 0.000000 12.250758\nZn B Br O\n12 28 4 52\ndirect\n0.257491 0.750393 0.244077 Zn\n0.742509 0.249607 0.744077 Zn\n0.242509 0.750393 0.744077 Zn\n0.757491 0.249607 0.244077 Zn\n0.982013 0.469306 0.520951 Zn\n0.017987 0.530694 0.020951 Zn\n0.517987 0.469306 0.020951 Zn\n0.482013 0.530694 0.520951 Zn\n0.482278 0.968510 0.525165 Zn\n0.517722 0.031490 0.025165 Zn\n0.017722 0.968510 0.025165 Zn\n0.982278 0.031490 0.525165 Zn\n0.999664 0.496913 0.769765 B\n0.000336 0.503087 0.269765 B\n0.500336 0.496913 0.269765 B\n0.499664 0.503087 0.769765 B\n0.754846 0.753671 0.516944 B\n0.245154 0.246329 0.016944 B\n0.745154 0.753671 0.016944 B\n0.254846 0.246329 0.516944 B\n0.500583 0.002073 0.270917 B\n0.499417 0.997927 0.770917 B\n0.999417 0.002073 0.770917 B\n0.000583 0.997927 0.270917 B\n0.955166 0.751154 0.370924 B\n0.044834 0.248846 0.870924 B\n0.544834 0.751154 0.870924 B\n0.455166 0.248846 0.370924 B\n0.745983 0.597563 0.189745 B\n0.254017 0.402437 0.689745 B\n0.754017 0.597563 0.689745 B\n0.245983 0.402437 0.189745 B\n0.408391 0.250088 0.842874 B\n0.591609 0.749912 0.342874 B\n0.091609 0.250088 0.342874 B\n0.908391 0.749912 0.842874 B\n0.253901 0.097693 0.690426 B\n0.746099 0.902307 0.190426 B\n0.246099 0.097693 0.190426 B\n0.753901 0.902307 0.690426 B\n0.271558 0.748449 0.532023 Br\n0.728442 0.251551 0.032023 Br\n0.228442 0.748449 0.032023 Br\n0.771558 0.251551 0.532023 Br\n0.729565 0.749470 0.258877 O\n0.270435 0.250530 0.758877 O\n0.770435 0.749470 0.758877 O\n0.229565 0.250530 0.258877 O\n0.041222 0.668849 0.295430 O\n0.958778 0.331151 0.795430 O\n0.458778 0.668849 0.795430 O\n0.541222 0.331151 0.295430 O\n0.879868 0.672645 0.453820 O\n0.120132 0.327355 0.953820 O\n0.620132 0.672645 0.953820 O\n0.379868 0.327355 0.453820 O\n0.465393 0.837805 0.292281 O\n0.534607 0.162195 0.792281 O\n0.034607 0.837805 0.792281 O\n0.965393 0.162195 0.292281 O\n0.679490 0.636611 0.586455 O\n0.320510 0.363389 0.086455 O\n0.820510 0.636611 0.086455 O\n0.179490 0.363389 0.586455 O\n0.665365 0.024084 0.248507 O\n0.334635 0.975916 0.748507 O\n0.834635 0.024084 0.748507 O\n0.165365 0.975916 0.248507 O\n0.638653 0.824186 0.444648 O\n0.361347 0.175814 0.944648 O\n0.861347 0.824186 0.944648 O\n0.138653 0.175814 0.444648 O\n0.835029 0.482413 0.249448 O\n0.164971 0.517587 0.749448 O\n0.664971 0.482413 0.749448 O\n0.335029 0.517587 0.249448 O\n0.825420 0.874559 0.584102 O\n0.174580 0.125441 0.084102 O\n0.674580 0.874559 0.084102 O\n0.325420 0.125441 0.584102 O\n0.047632 0.409247 0.364052 O\n0.952368 0.590753 0.864052 O\n0.452368 0.409247 0.864052 O\n0.547632 0.590753 0.364052 O\n0.463359 0.089916 0.373519 O\n0.536641 0.910084 0.873519 O\n0.036641 0.089916 0.873519 O\n0.963359 0.910084 0.373519 O\n0.087801 0.458468 0.171987 O\n0.912199 0.541532 0.671987 O\n0.412199 0.458468 0.671987 O\n0.587801 0.541532 0.171987 O\n0.409758 0.058380 0.177063 O\n0.590242 0.941620 0.677063 O\n0.090242 0.058380 0.677063 O\n0.909758 0.941620 0.177063 O\n",
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"O"
],
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"density": 4.04584546317631,
"density_atomic": 0.10445720118374392,
"volume": 919.036685954591,
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"formula_full": "Zn12 B28 Br4 O52",
"formula_reduced": "Zn3B7BrO13",
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"spacegroup": 29
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{
"id": "mp-1099280",
"created_at": "2022-09-04T14:42:00.843402Z",
"structure_string": "Sr1 Mg6 Fe1\n1.0\n3.184704 -5.934925 0.000000\n3.184704 5.934925 0.000000\n0.000000 0.000000 5.127295\nSr Mg Fe\n1 6 1\ndirect\n0.324207 0.675793 0.500000 Sr\n0.316404 0.170776 0.500000 Mg\n0.829224 0.683596 0.500000 Mg\n0.148629 0.312977 0.000000 Mg\n0.687023 0.851371 0.000000 Mg\n0.679579 0.320421 0.000000 Mg\n0.151458 0.848542 0.000000 Mg\n0.863480 0.136520 0.500000 Fe\n",
"nsites": 8,
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{
"id": "mp-1247667",
"created_at": "2022-09-04T14:42:01.107071Z",
"structure_string": "Sr2 Ca6 Mn8 O22\n1.0\n7.719351 0.000000 0.000000\n0.000000 7.720020 0.000000\n0.000000 0.000000 7.710570\nSr Ca Mn O\n2 6 8 22\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.250000 0.250000 0.750000 Ca\n0.250000 0.750000 0.250000 Ca\n0.250000 0.750000 0.750000 Ca\n0.750000 0.250000 0.750000 Ca\n0.750000 0.750000 0.250000 Ca\n0.750000 0.750000 0.750000 Ca\n0.000000 0.998442 0.991104 Mn\n0.000000 0.998442 0.508896 Mn\n0.000000 0.502378 0.005280 Mn\n0.000000 0.502378 0.494720 Mn\n0.500000 0.997622 0.005280 Mn\n0.500000 0.997622 0.494720 Mn\n0.500000 0.501558 0.991104 Mn\n0.500000 0.501558 0.508896 Mn\n0.000000 0.996276 0.750000 O\n0.000000 0.502157 0.250000 O\n0.000000 0.504463 0.750000 O\n0.500000 0.997843 0.250000 O\n0.500000 0.995537 0.750000 O\n0.500000 0.503724 0.750000 O\n0.245421 0.994839 0.016747 O\n0.245421 0.994839 0.483253 O\n0.254579 0.505161 0.016747 O\n0.254579 0.505161 0.483253 O\n0.754579 0.994839 0.016747 O\n0.754579 0.994839 0.483253 O\n0.745421 0.505161 0.016747 O\n0.745421 0.505161 0.483253 O\n0.000000 0.246096 0.010188 O\n0.000000 0.246096 0.489812 O\n0.000000 0.755399 0.023400 O\n0.000000 0.755399 0.476600 O\n0.500000 0.253904 0.010188 O\n0.500000 0.253904 0.489812 O\n0.500000 0.744601 0.023400 O\n0.500000 0.744601 0.476600 O\n",
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{
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"created_at": "2022-09-04T14:42:01.116873Z",
"structure_string": "Mg2 Sn2\n1.0\n3.499421 0.000000 0.000000\n0.000000 4.992147 0.000000\n0.000000 0.000000 5.723095\nMg Sn\n2 2\ndirect\n0.000000 0.091739 0.000000 Mg\n0.500000 0.908261 0.500000 Mg\n0.500000 0.591059 0.000000 Sn\n0.000000 0.408941 0.500000 Sn\n",
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{
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{
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{
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{
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{
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"structure_string": "Co2 Te4 Pd4\n1.0\n-2.627027 3.165009 5.604634\n2.627027 -3.165009 5.604634\n2.627027 3.165009 -5.604634\nCo Te Pd\n2 4 4\ndirect\n0.000000 0.750000 0.750000 Co\n0.000000 0.250000 0.250000 Co\n0.070987 0.356051 0.714935 Te\n0.929013 0.643949 0.285065 Te\n0.358884 0.143949 0.214935 Te\n0.641116 0.856051 0.785065 Te\n0.473396 0.605901 0.867495 Pd\n0.261594 0.894099 0.367495 Pd\n0.738406 0.105901 0.632505 Pd\n0.526604 0.394099 0.132505 Pd\n",
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}