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{
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{
"id": "mp-556762",
"created_at": "2022-09-04T14:47:32.222880Z",
"structure_string": "B2 S4 N4 O2 F14\n1.0\n8.041325 0.000000 0.000000\n0.000000 6.139897 0.000000\n0.000000 2.894600 7.724348\nB S N O F\n2 4 4 2 14\ndirect\n0.250000 0.367710 0.173646 B\n0.750000 0.632290 0.826354 B\n0.250000 0.676699 0.569276 S\n0.750000 0.210554 0.135298 S\n0.750000 0.323301 0.430724 S\n0.250000 0.789446 0.864702 S\n0.250000 0.556136 0.981561 N\n0.750000 0.443864 0.018439 N\n0.750000 0.145211 0.340180 N\n0.250000 0.854789 0.659820 N\n0.250000 0.433127 0.650984 O\n0.750000 0.566873 0.349016 O\n0.893135 0.043487 0.121728 F\n0.107360 0.757239 0.435956 F\n0.894112 0.596422 0.742881 F\n0.105888 0.403578 0.257119 F\n0.250000 0.150142 0.157042 F\n0.106865 0.956513 0.878272 F\n0.393135 0.956513 0.878272 F\n0.892640 0.242761 0.564044 F\n0.750000 0.849858 0.842958 F\n0.606865 0.043487 0.121728 F\n0.392640 0.757239 0.435956 F\n0.394112 0.403578 0.257119 F\n0.607360 0.242761 0.564044 F\n0.605888 0.596422 0.742881 F\n",
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{
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"created_at": "2022-09-04T14:47:23.600369Z",
"structure_string": "Li12 Sb4 S12\n1.0\n8.295702 0.000000 0.000000\n0.000000 8.295702 0.000000\n0.000000 0.000000 8.295702\nLi Sb S\n12 4 12\ndirect\n0.019086 0.019086 0.019086 Li\n0.209627 0.290373 0.709627 Li\n0.215025 0.715025 0.784975 Li\n0.284975 0.284975 0.284975 Li\n0.290373 0.709627 0.209627 Li\n0.480914 0.980914 0.519086 Li\n0.519086 0.480914 0.980914 Li\n0.709627 0.209627 0.290373 Li\n0.715025 0.784975 0.215025 Li\n0.784975 0.215025 0.715025 Li\n0.790373 0.790373 0.790373 Li\n0.980914 0.519086 0.480914 Li\n0.039192 0.960808 0.460808 Sb\n0.460808 0.039192 0.960808 Sb\n0.539192 0.539192 0.539192 Sb\n0.960808 0.460808 0.039192 Sb\n0.998492 0.245420 0.383319 S\n0.116681 0.001508 0.745420 S\n0.245420 0.383319 0.998492 S\n0.254580 0.616681 0.498492 S\n0.383319 0.998492 0.245420 S\n0.501508 0.754580 0.883319 S\n0.498492 0.254580 0.616681 S\n0.616681 0.498492 0.254580 S\n0.745420 0.116681 0.001508 S\n0.754580 0.883319 0.501508 S\n0.883319 0.501508 0.754580 S\n0.001508 0.745420 0.116681 S\n",
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"elements": [
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"formula_full": "Li12 Sb4 S12",
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"spacegroup": 198
},
{
"id": "mp-29940",
"created_at": "2022-09-04T14:47:08.341832Z",
"structure_string": "Sb4 Cl4 F40\n1.0\n5.999575 0.000000 0.000000\n0.000000 8.371745 0.000000\n0.000000 0.000000 15.438805\nSb Cl F\n4 4 40\ndirect\n0.091938 0.750000 0.642159 Sb\n0.091938 0.250000 0.857841 Sb\n0.908062 0.250000 0.357841 Sb\n0.908062 0.750000 0.142159 Sb\n0.589025 0.750000 0.839251 Cl\n0.589025 0.250000 0.660749 Cl\n0.410975 0.250000 0.160749 Cl\n0.410975 0.750000 0.339251 Cl\n0.410295 0.449928 0.156826 F\n0.410295 0.550072 0.343174 F\n0.589705 0.949928 0.843174 F\n0.589705 0.050072 0.656826 F\n0.165374 0.750000 0.221001 F\n0.165374 0.250000 0.278999 F\n0.834626 0.250000 0.778999 F\n0.834626 0.750000 0.721001 F\n0.104670 0.750000 0.045244 F\n0.104670 0.250000 0.454756 F\n0.895330 0.250000 0.954756 F\n0.895330 0.750000 0.545244 F\n0.716281 0.750000 0.245245 F\n0.716281 0.250000 0.254755 F\n0.283719 0.250000 0.754755 F\n0.283719 0.750000 0.745245 F\n0.910846 0.977091 0.146446 F\n0.910846 0.022909 0.353554 F\n0.089154 0.477091 0.853554 F\n0.089154 0.522909 0.646446 F\n0.089154 0.022909 0.853554 F\n0.089154 0.977091 0.646446 F\n0.910846 0.522909 0.146446 F\n0.910846 0.477091 0.353554 F\n0.648640 0.750000 0.071043 F\n0.648640 0.250000 0.428957 F\n0.351360 0.250000 0.928957 F\n0.351360 0.750000 0.571043 F\n0.589705 0.550072 0.843174 F\n0.589705 0.449928 0.656826 F\n0.410295 0.050072 0.156826 F\n0.410295 0.949928 0.343174 F\n0.595113 0.750000 0.413654 F\n0.595113 0.250000 0.086346 F\n0.404887 0.250000 0.586346 F\n0.404887 0.750000 0.913654 F\n0.195177 0.750000 0.399601 F\n0.195177 0.250000 0.100399 F\n0.804823 0.250000 0.600399 F\n0.804823 0.750000 0.899601 F\n",
"nsites": 48,
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"volume": 775.44350024946,
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"formula_full": "Sb4 Cl4 F40",
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"spacegroup": 57
},
{
"id": "mp-552307",
"created_at": "2022-09-04T14:47:12.215061Z",
"structure_string": "Li4 Co2 W4 O16\n1.0\n-2.578882 4.770419 -1.799666\n-5.023594 0.085062 6.059295\n2.480281 4.814876 4.007815\nLi Co W O\n4 2 4 16\ndirect\n0.686771 0.354786 0.394254 Li\n0.186835 0.854795 0.894360 Li\n0.313163 0.645206 0.605639 Li\n0.813227 0.145215 0.105745 Li\n0.249998 0.250001 0.750001 Co\n0.749999 0.750000 0.249999 Co\n0.772648 0.959509 0.702185 W\n0.727352 0.540490 0.797817 W\n0.272454 0.459554 0.202436 W\n0.227547 0.040444 0.297562 W\n0.282658 0.444011 0.478849 O\n0.782575 0.944229 0.978593 O\n0.717422 0.555776 0.521413 O\n0.217345 0.055990 0.021152 O\n0.887860 0.942279 0.390344 O\n0.387824 0.442387 0.890526 O\n0.112173 0.057617 0.609478 O\n0.612149 0.557726 0.109650 O\n0.527443 0.790056 0.753520 O\n0.027458 0.290131 0.253553 O\n0.472542 0.209866 0.246446 O\n0.972558 0.709941 0.746482 O\n0.403061 0.843044 0.351013 O\n0.903037 0.343106 0.851221 O\n0.596956 0.156888 0.648785 O\n0.096941 0.656953 0.148977 O\n",
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"formula_full": "Li4 Co2 W4 O16",
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},
{
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"created_at": "2022-09-04T14:47:08.588722Z",
"structure_string": "Ba1 Al2 Sb2 O7\n1.0\n8.324872 -2.755686 0.000000\n8.324872 2.755686 0.000000\n7.412689 0.000000 4.685012\nBa Al Sb O\n1 2 2 7\ndirect\n0.500000 0.500000 0.500000 Ba\n0.929315 0.929315 0.929315 Al\n0.070685 0.070685 0.070685 Al\n0.720715 0.720715 0.720715 Sb\n0.279285 0.279285 0.279285 Sb\n0.975331 0.571230 0.162093 O\n0.162093 0.975331 0.571230 O\n0.571230 0.162093 0.975331 O\n0.024669 0.837907 0.428770 O\n0.428770 0.024669 0.837907 O\n0.000000 0.000000 0.000000 O\n0.837907 0.428770 0.024669 O\n",
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],
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"volume": 214.95522086953636,
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"formula_full": "Ba1 Al2 Sb2 O7",
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"spacegroup": 155
},
{
"id": "mp-976868",
"created_at": "2022-09-04T14:48:03.906927Z",
"structure_string": "Ni2 H4 Se2 O10\n1.0\n-3.720352 3.589210 0.031005\n-3.486796 -0.001042 -7.161030\n-3.718607 -3.587418 0.029125\nNi H Se O\n2 4 2 10\ndirect\n0.500060 0.500084 0.999897 Ni\n0.499699 0.000139 0.000037 Ni\n0.992833 0.999533 0.728502 H\n0.771716 0.500327 0.507491 H\n0.228387 0.499520 0.492660 H\n0.007383 0.000466 0.271581 H\n0.190817 0.249962 0.309259 Se\n0.809107 0.750119 0.690664 Se\n0.433833 0.250321 0.065046 O\n0.566163 0.749664 0.934983 O\n0.135557 0.066780 0.174739 O\n0.325028 0.433317 0.364191 O\n0.674964 0.566591 0.635937 O\n0.864302 0.933398 0.825136 O\n0.247349 0.109834 0.633989 O\n0.865644 0.388868 0.255889 O\n0.134277 0.611124 0.744212 O\n0.752879 0.889954 0.365780 O\n",
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{
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"created_at": "2022-09-04T14:47:59.111003Z",
"structure_string": "Mg14 Zr1 C1\n1.0\n6.494323 0.388983 0.000000\n-2.910292 5.040774 0.000000\n0.000000 0.000000 10.180229\nMg Zr C\n14 1 1\ndirect\n0.154430 0.327214 0.625000 Mg\n0.133282 0.816641 0.625000 Mg\n0.577042 0.273154 0.125000 Mg\n0.649253 0.327456 0.625000 Mg\n0.577042 0.803887 0.125000 Mg\n0.649253 0.821796 0.625000 Mg\n0.337701 0.173545 0.374252 Mg\n0.337701 0.173545 0.875748 Mg\n0.337701 0.664157 0.374252 Mg\n0.337701 0.664157 0.875748 Mg\n0.835101 0.167551 0.376907 Mg\n0.835101 0.167551 0.873093 Mg\n0.940800 0.720400 0.270715 Mg\n0.940800 0.720400 0.979285 Mg\n0.098896 0.299448 0.125000 Zr\n0.258196 0.879097 0.125000 C\n",
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},
{
"id": "mp-1105199",
"created_at": "2022-09-04T14:47:22.088348Z",
"structure_string": "Rb2 La2 Mn2 W2 O12\n1.0\n5.767439 -0.000009 -0.053684\n-0.000009 5.788331 -0.000016\n0.002053 -0.000023 8.359642\nRb La Mn W O\n2 2 2 2 12\ndirect\n0.243198 0.762006 0.000746 Rb\n0.756813 0.262009 0.999266 Rb\n0.245432 0.803301 0.499848 La\n0.754566 0.303306 0.500147 La\n0.254508 0.274418 0.752894 Mn\n0.745465 0.774417 0.247118 Mn\n0.757205 0.769072 0.744537 W\n0.242793 0.269069 0.255463 W\n0.536729 0.022048 0.691831 O\n0.463289 0.522029 0.308165 O\n0.504748 0.053173 0.308504 O\n0.495248 0.553172 0.691490 O\n0.986215 0.479928 0.256321 O\n0.013801 0.979904 0.743678 O\n0.959629 0.501257 0.746659 O\n0.040356 0.001268 0.253338 O\n0.819880 0.747988 0.503578 O\n0.180120 0.247977 0.496421 O\n0.719153 0.770224 0.967572 O\n0.280852 0.270218 0.032426 O\n",
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"formula_full": "Rb2 La2 Mn2 W2 O12",
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{
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