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{
"id": "mp-1196241",
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"structure_string": "Sr8 Be8 H32 O32\n1.0\n-5.006667 5.006667 8.529400\n5.006667 -5.006667 8.529400\n5.006667 5.006667 -8.529400\nSr Be H O\n8 8 32 32\ndirect\n0.250000 0.750000 0.500000 Sr\n0.750000 0.250000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.750000 0.750000 0.000000 Sr\n0.250000 0.250000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Sr\n0.125000 0.843830 0.218830 Be\n0.625000 0.406170 0.281170 Be\n0.093830 0.875000 0.718830 Be\n0.593830 0.875000 0.218830 Be\n0.656170 0.375000 0.781170 Be\n0.156170 0.375000 0.281170 Be\n0.125000 0.343830 0.718830 Be\n0.625000 0.906170 0.781170 Be\n0.468687 0.066898 0.814957 H\n0.968687 0.153730 0.401789 H\n0.316898 0.218687 0.314957 H\n0.816898 0.501941 0.098211 H\n0.281313 0.183102 0.685043 H\n0.781313 0.096270 0.098211 H\n0.433102 0.031313 0.185043 H\n0.933102 0.748059 0.401789 H\n0.751941 0.566898 0.598211 H\n0.251941 0.653730 0.185043 H\n0.403730 0.718687 0.901789 H\n0.903730 0.001941 0.685043 H\n0.998059 0.683102 0.901789 H\n0.498059 0.596270 0.314957 H\n0.346270 0.531313 0.598211 H\n0.846270 0.248059 0.814957 H\n0.063165 0.959721 0.413883 H\n0.563165 0.149282 0.103444 H\n0.209721 0.813165 0.913883 H\n0.709721 0.795838 0.396556 H\n0.686835 0.290279 0.086117 H\n0.186835 0.100718 0.396556 H\n0.540279 0.436835 0.586117 H\n0.040279 0.454162 0.103444 H\n0.045838 0.459721 0.896556 H\n0.545838 0.649282 0.586117 H\n0.399282 0.313165 0.603444 H\n0.899282 0.295838 0.086117 H\n0.704162 0.790279 0.603444 H\n0.204162 0.600718 0.913883 H\n0.350718 0.936835 0.896556 H\n0.850718 0.954162 0.413883 H\n0.489263 0.995679 0.725513 O\n0.989263 0.263750 0.493584 O\n0.245679 0.239263 0.225513 O\n0.745679 0.520166 0.006416 O\n0.260737 0.254321 0.774487 O\n0.760737 0.986250 0.006416 O\n0.504321 0.010737 0.274487 O\n0.004321 0.729834 0.493584 O\n0.770166 0.495679 0.506416 O\n0.270166 0.763750 0.274487 O\n0.513750 0.739263 0.993584 O\n0.013750 0.020166 0.774487 O\n0.979834 0.754321 0.993584 O\n0.479834 0.486250 0.225513 O\n0.236250 0.510737 0.506416 O\n0.736250 0.229834 0.725513 O\n0.048356 0.854170 0.313492 O\n0.548356 0.234864 0.194186 O\n0.104170 0.798356 0.813492 O\n0.604170 0.790678 0.305814 O\n0.701644 0.395830 0.186508 O\n0.201644 0.015136 0.305814 O\n0.645830 0.451644 0.686508 O\n0.145830 0.459322 0.194186 O\n0.040678 0.354170 0.805814 O\n0.540678 0.734864 0.686508 O\n0.484864 0.298356 0.694186 O\n0.984864 0.290678 0.186508 O\n0.709322 0.895830 0.694186 O\n0.209322 0.515136 0.813492 O\n0.265136 0.951644 0.805814 O\n0.765136 0.959322 0.313492 O\n",
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"volume_molar": 6.437789945654139,
"formula_full": "Sr8 Be8 H32 O32",
"formula_reduced": "SrBe(HO)4",
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"spacegroup": 142
},
{
"id": "mp-1209777",
"created_at": "2022-09-04T14:47:40.158665Z",
"structure_string": "Pr12 P4 Br12\n1.0\n-5.979719 5.979719 5.979719\n5.979719 -5.979719 5.979719\n5.979719 5.979719 -5.979719\nPr P Br\n12 4 12\ndirect\n0.473962 0.486981 0.236981 Pr\n0.750000 0.236981 0.263019 Pr\n0.750000 0.013019 0.486981 Pr\n0.236981 0.473962 0.486981 Pr\n0.263019 0.750000 0.236981 Pr\n0.026038 0.263019 0.013019 Pr\n0.013019 0.026038 0.263019 Pr\n0.486981 0.750000 0.013019 Pr\n0.486981 0.236981 0.473962 Pr\n0.013019 0.486981 0.750000 Pr\n0.263019 0.013019 0.026038 Pr\n0.236981 0.263019 0.750000 Pr\n0.250000 0.250000 0.250000 P\n0.500000 0.000000 0.250000 P\n0.000000 0.250000 0.500000 P\n0.250000 0.500000 0.000000 P\n0.250000 0.757262 0.742738 Br\n0.514523 0.507262 0.757262 Br\n0.985477 0.742738 0.992738 Br\n0.742738 0.250000 0.757262 Br\n0.992738 0.985477 0.742738 Br\n0.250000 0.992738 0.507262 Br\n0.757262 0.514523 0.507262 Br\n0.507262 0.250000 0.992738 Br\n0.757262 0.742738 0.250000 Br\n0.742738 0.992738 0.985477 Br\n0.992738 0.507262 0.250000 Br\n0.507262 0.757262 0.514523 Br\n",
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"elements": [
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{
"id": "mp-1093988",
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"structure_string": "Ag1 Pd2 Au1\n1.0\n-5.269057 5.384305 7.536851\n5.269057 -5.384305 7.536851\n5.269057 5.384305 -7.536851\nAg Pd Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.000000 0.253308 0.253308 Pd\n0.000000 0.746692 0.746692 Pd\n0.000000 0.500000 0.500000 Au\n",
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"formula_full": "Ag1 Pd2 Au1",
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{
"id": "mp-772256",
"created_at": "2022-09-04T14:39:47.624525Z",
"structure_string": "Li8 V8 P8 O40\n1.0\n6.341841 0.000000 0.000000\n0.000000 10.584016 0.000000\n0.000000 0.000000 12.742515\nLi V P O\n8 8 8 40\ndirect\n0.958907 0.034858 0.101753 Li\n0.354997 0.763789 0.171409 Li\n0.854997 0.263789 0.328591 Li\n0.458907 0.534858 0.398247 Li\n0.541093 0.034858 0.601753 Li\n0.145003 0.763789 0.671409 Li\n0.645003 0.263789 0.828591 Li\n0.041093 0.534858 0.898247 Li\n0.988299 0.506619 0.128816 V\n0.272108 0.262684 0.245002 V\n0.772108 0.762684 0.254998 V\n0.488299 0.006619 0.371184 V\n0.511701 0.506619 0.628816 V\n0.227892 0.262684 0.745002 V\n0.727892 0.762684 0.754998 V\n0.011701 0.006619 0.871184 V\n0.823655 0.772580 0.004723 P\n0.493670 0.522119 0.185529 P\n0.993670 0.022119 0.314471 P\n0.323655 0.272580 0.495277 P\n0.676345 0.772580 0.504723 P\n0.006330 0.522119 0.685529 P\n0.506330 0.022119 0.814471 P\n0.176345 0.272580 0.995277 P\n0.032564 0.393167 0.000594 O\n0.964710 0.652084 0.011808 O\n0.319077 0.267249 0.093104 O\n0.678300 0.783452 0.103116 O\n0.680490 0.493152 0.113195 O\n0.298051 0.558618 0.120572 O\n0.021810 0.386337 0.219896 O\n0.951703 0.645592 0.226719 O\n0.954981 0.912091 0.235338 O\n0.030707 0.136108 0.236448 O\n0.530707 0.636108 0.263552 O\n0.454981 0.412091 0.264662 O\n0.451703 0.145592 0.273281 O\n0.521810 0.886337 0.280104 O\n0.798051 0.058618 0.379428 O\n0.180490 0.993152 0.386805 O\n0.178300 0.283452 0.396884 O\n0.819077 0.767249 0.406896 O\n0.464710 0.152084 0.488192 O\n0.532564 0.893167 0.499406 O\n0.467436 0.393167 0.500594 O\n0.535290 0.652084 0.511808 O\n0.180923 0.267249 0.593104 O\n0.821700 0.783452 0.603116 O\n0.819510 0.493152 0.613195 O\n0.201949 0.558618 0.620572 O\n0.478190 0.386337 0.719896 O\n0.548297 0.645592 0.726719 O\n0.545019 0.912091 0.735338 O\n0.469293 0.136108 0.736448 O\n0.969293 0.636108 0.763552 O\n0.045019 0.412091 0.764662 O\n0.048297 0.145592 0.773281 O\n0.978190 0.886337 0.780104 O\n0.701949 0.058618 0.879428 O\n0.319510 0.993152 0.886805 O\n0.321700 0.283452 0.896884 O\n0.680923 0.767249 0.906896 O\n0.035290 0.152084 0.988192 O\n0.967436 0.893167 0.999406 O\n",
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"formula_full": "Li8 V8 P8 O40",
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{
"id": "mp-772189",
"created_at": "2022-09-04T14:46:14.679457Z",
"structure_string": "Bi12 Ir12 O44\n1.0\n9.492396 0.000000 0.000000\n0.000000 9.492396 0.000000\n0.000000 0.000000 9.492396\nBi Ir O\n12 12 44\ndirect\n0.750000 0.750000 0.250000 Bi\n0.750000 0.250000 0.750000 Bi\n0.867471 0.867471 0.867471 Bi\n0.867471 0.132529 0.132529 Bi\n0.132529 0.867471 0.132529 Bi\n0.132529 0.132529 0.867471 Bi\n0.250000 0.250000 0.250000 Bi\n0.250000 0.750000 0.750000 Bi\n0.367471 0.367471 0.632529 Bi\n0.367471 0.632529 0.367471 Bi\n0.632529 0.367471 0.367471 Bi\n0.632529 0.632529 0.632529 Bi\n0.841412 0.500000 0.000000 Ir\n0.000000 0.841412 0.500000 Ir\n0.000000 0.500000 0.341412 Ir\n0.000000 0.500000 0.658588 Ir\n0.000000 0.158588 0.500000 Ir\n0.158588 0.500000 0.000000 Ir\n0.341412 0.000000 0.500000 Ir\n0.500000 0.000000 0.841412 Ir\n0.500000 0.000000 0.158588 Ir\n0.500000 0.341412 0.000000 Ir\n0.500000 0.658588 0.000000 Ir\n0.658588 0.000000 0.500000 Ir\n0.789949 0.833175 0.494028 O\n0.789949 0.166825 0.505972 O\n0.833175 0.494028 0.789949 O\n0.833175 0.505972 0.210051 O\n0.860020 0.500000 0.500000 O\n0.897084 0.897084 0.102916 O\n0.897084 0.102916 0.897084 O\n0.005972 0.710051 0.666825 O\n0.005972 0.289949 0.333175 O\n0.000000 0.360020 0.000000 O\n0.000000 0.639980 0.000000 O\n0.000000 0.000000 0.360020 O\n0.000000 0.000000 0.639980 O\n0.994028 0.289949 0.666825 O\n0.994028 0.710051 0.333175 O\n0.102916 0.897084 0.897084 O\n0.102916 0.102916 0.102916 O\n0.139980 0.500000 0.500000 O\n0.166825 0.505972 0.789949 O\n0.166825 0.494028 0.210051 O\n0.210051 0.833175 0.505972 O\n0.210051 0.166825 0.494028 O\n0.289949 0.333175 0.005972 O\n0.289949 0.666825 0.994028 O\n0.333175 0.005972 0.289949 O\n0.333175 0.994028 0.710051 O\n0.360020 0.000000 0.000000 O\n0.397084 0.397084 0.397084 O\n0.397084 0.602916 0.602916 O\n0.505972 0.789949 0.166825 O\n0.505972 0.210051 0.833175 O\n0.500000 0.860020 0.500000 O\n0.500000 0.139980 0.500000 O\n0.500000 0.500000 0.860020 O\n0.500000 0.500000 0.139980 O\n0.494028 0.789949 0.833175 O\n0.494028 0.210051 0.166825 O\n0.602916 0.397084 0.602916 O\n0.602916 0.602916 0.397084 O\n0.639980 0.000000 0.000000 O\n0.666825 0.005972 0.710051 O\n0.666825 0.994028 0.289949 O\n0.710051 0.666825 0.005972 O\n0.710051 0.333175 0.994028 O\n",
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{
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"structure_string": "Cd4 B8 Xe4 F40\n1.0\n9.254250 0.000000 0.000000\n0.000000 8.991735 0.000000\n0.000000 3.949893 10.279742\nCd B Xe F\n4 8 4 40\ndirect\n0.536291 0.653308 0.636752 Cd\n0.963709 0.153308 0.636752 Cd\n0.036291 0.846692 0.363248 Cd\n0.463709 0.346692 0.363248 Cd\n0.599165 0.222281 0.708835 B\n0.099165 0.277719 0.291165 B\n0.400835 0.777719 0.291165 B\n0.719326 0.026307 0.425596 B\n0.900835 0.722281 0.708835 B\n0.780674 0.526307 0.425596 B\n0.219326 0.473693 0.574404 B\n0.280674 0.973693 0.574404 B\n0.296985 0.654054 0.946440 Xe\n0.703015 0.345946 0.053560 Xe\n0.203015 0.154054 0.946440 Xe\n0.796985 0.845946 0.053560 Xe\n0.498761 0.119202 0.787764 F\n0.470321 0.580355 0.852441 F\n0.907359 0.873812 0.725364 F\n0.529679 0.419645 0.147559 F\n0.680445 0.602937 0.481419 F\n0.742677 0.158431 0.743284 F\n0.703024 0.462046 0.344421 F\n0.923034 0.746279 0.574769 F\n0.970321 0.919645 0.147559 F\n0.633445 0.773523 0.964155 F\n0.501239 0.880798 0.212236 F\n0.796976 0.962046 0.344421 F\n0.423034 0.753721 0.425231 F\n0.133445 0.726477 0.035845 F\n0.619879 0.140953 0.347234 F\n0.257323 0.841569 0.256716 F\n0.407359 0.626188 0.274636 F\n0.092641 0.126188 0.274636 F\n0.880121 0.640953 0.347234 F\n0.029679 0.080355 0.852441 F\n0.180445 0.897063 0.518581 F\n0.854850 0.406825 0.524741 F\n0.242677 0.341569 0.256716 F\n0.819555 0.102937 0.481419 F\n0.119879 0.359047 0.652766 F\n0.592641 0.373812 0.725364 F\n0.203024 0.037954 0.655579 F\n0.076966 0.253721 0.425231 F\n0.380121 0.859047 0.652766 F\n0.645150 0.906825 0.524741 F\n0.757323 0.658431 0.743284 F\n0.366555 0.226477 0.035845 F\n0.296976 0.537954 0.655579 F\n0.145150 0.593175 0.475259 F\n0.866555 0.273523 0.964155 F\n0.001239 0.619202 0.787764 F\n0.998761 0.380798 0.212236 F\n0.576966 0.246279 0.574769 F\n0.319555 0.397063 0.518581 F\n0.354850 0.093175 0.475259 F\n",
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{
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