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{
"id": "mp-999189",
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{
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"formula_full": "Rb6 Y2 O6",
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{
"id": "mp-1183984",
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"structure_string": "Cu3 Te1\n1.0\n3.946662 0.000000 0.000000\n0.000000 3.946662 0.000000\n0.000000 0.000000 3.946662\nCu Te\n3 1\ndirect\n0.000000 0.500000 0.500000 Cu\n0.500000 0.000000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Te\n",
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"formula_full": "Cu3 Te1",
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},
{
"id": "mp-13125",
"created_at": "2022-09-04T14:43:07.231442Z",
"structure_string": "Pr1 Co1 Ge3\n1.0\n-2.170254 2.170254 4.969930\n2.170254 -2.170254 4.969930\n2.170254 2.170254 -4.969930\nPr Co Ge\n1 1 3\ndirect\n0.432474 0.432474 0.000000 Pr\n0.766296 0.766296 0.000000 Co\n0.174210 0.674210 0.500000 Ge\n0.997451 0.997451 0.000000 Ge\n0.674210 0.174210 0.500000 Ge\n",
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"formula_full": "Pr1 Co1 Ge3",
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{
"id": "mp-10492",
"created_at": "2022-09-04T14:43:07.232523Z",
"structure_string": "Rb2 Si1 F6\n1.0\n0.000000 4.305834 4.305834\n4.305834 0.000000 4.305834\n4.305834 4.305834 0.000000\nRb Si F\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Si\n0.799969 0.799969 0.200031 F\n0.799969 0.200031 0.799969 F\n0.200031 0.799969 0.200031 F\n0.200031 0.200031 0.799969 F\n0.200031 0.799969 0.799969 F\n0.799969 0.200031 0.200031 F\n",
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"formula_full": "Rb2 Si1 F6",
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"energy": -49.75985039,
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{
"id": "mp-721426",
"created_at": "2022-09-04T14:43:07.235057Z",
"structure_string": "Na4 P4 H28 O24\n1.0\n3.520835 7.045272 0.000000\n-3.520835 7.045272 0.000000\n0.000000 5.640696 11.527077\nNa P H O\n4 4 28 24\ndirect\n0.147360 0.380083 0.236012 Na\n0.619917 0.852640 0.263988 Na\n0.852640 0.619917 0.763988 Na\n0.380083 0.147360 0.736012 Na\n0.143025 0.859703 0.162347 P\n0.140297 0.856975 0.337653 P\n0.856975 0.140297 0.837653 P\n0.859703 0.143025 0.662347 P\n0.867000 0.724738 0.051792 H\n0.275262 0.133000 0.448208 H\n0.133000 0.275262 0.948208 H\n0.724738 0.867000 0.551792 H\n0.351642 0.090270 0.099205 H\n0.909730 0.648358 0.400795 H\n0.648358 0.909730 0.900795 H\n0.090270 0.351642 0.599205 H\n0.542132 0.475796 0.113600 H\n0.524204 0.457868 0.386400 H\n0.457868 0.524204 0.886400 H\n0.475796 0.542132 0.613600 H\n0.813159 0.541019 0.104121 H\n0.458981 0.186841 0.395879 H\n0.186841 0.458981 0.895879 H\n0.541019 0.813159 0.604121 H\n0.725830 0.394602 0.003314 H\n0.605398 0.274170 0.496686 H\n0.274170 0.605398 0.996686 H\n0.394602 0.725830 0.503314 H\n0.553749 0.113150 0.046568 H\n0.886850 0.446251 0.453432 H\n0.446251 0.886850 0.953432 H\n0.113150 0.553749 0.546568 H\n0.809565 0.137728 0.141837 H\n0.862272 0.190435 0.358163 H\n0.190435 0.862272 0.858163 H\n0.137728 0.809565 0.641837 H\n0.225679 0.002679 0.069455 O\n0.997321 0.774321 0.430545 O\n0.774321 0.997321 0.930545 O\n0.002679 0.225679 0.569455 O\n0.262058 0.628915 0.145702 O\n0.371085 0.737942 0.354298 O\n0.737942 0.371085 0.854298 O\n0.628915 0.262058 0.645702 O\n0.888849 0.971390 0.172149 O\n0.028610 0.111151 0.327852 O\n0.111151 0.028610 0.827851 O\n0.971390 0.888849 0.672149 O\n0.863573 0.612800 0.121823 O\n0.387200 0.136427 0.378177 O\n0.136427 0.387200 0.878177 O\n0.612800 0.863573 0.621823 O\n0.431813 0.135354 0.115016 O\n0.864646 0.568187 0.384984 O\n0.568187 0.864646 0.884984 O\n0.135354 0.431813 0.615016 O\n0.703761 0.385172 0.086300 O\n0.614828 0.296239 0.413700 O\n0.296239 0.614828 0.913700 O\n0.385172 0.703761 0.586300 O\n",
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"formula_full": "Na4 P4 H28 O24",
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"spacegroup": 15
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{
"id": "mp-1233164",
"created_at": "2022-09-04T14:43:07.250051Z",
"structure_string": "Sr6 Mg1 W4 O18\n1.0\n5.424116 3.864103 5.882604\n-4.533813 3.485430 5.160189\n0.095806 -5.376112 4.211636\nSr Mg W O\n6 1 4 18\ndirect\n0.235312 0.806328 0.639424 Sr\n0.016058 0.345607 0.759549 Sr\n0.518579 0.737885 0.099088 Sr\n0.481421 0.262115 0.900912 Sr\n0.983942 0.654393 0.240451 Sr\n0.764688 0.193672 0.360576 Sr\n0.500000 0.000000 0.500000 Mg\n0.824899 0.882449 0.823667 W\n0.342245 0.354170 0.355913 W\n0.175101 0.117551 0.176333 W\n0.657755 0.645830 0.644087 W\n0.148044 0.897043 0.269214 O\n0.028560 0.751795 0.868802 O\n0.584371 0.909714 0.776856 O\n0.196670 0.533003 0.503257 O\n0.184457 0.187402 0.458728 O\n0.212936 0.385550 0.112717 O\n0.487401 0.584797 0.796037 O\n0.496096 0.758432 0.451519 O\n0.757369 0.939740 0.085880 O\n0.242631 0.060260 0.914120 O\n0.503904 0.241568 0.548481 O\n0.815543 0.812598 0.541272 O\n0.512599 0.415203 0.203963 O\n0.787064 0.614450 0.887283 O\n0.803330 0.466997 0.496743 O\n0.415629 0.090286 0.223144 O\n0.971440 0.248205 0.131198 O\n0.851956 0.102957 0.730786 O\n",
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"formula_full": "Sr6 Mg1 W4 O18",
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{
"id": "mp-1222826",
"created_at": "2022-09-04T14:43:07.253295Z",
"structure_string": "Li2 Zr6 Mn1 Cl15\n1.0\n-5.315804 5.315804 5.215301\n5.315804 -5.315804 5.215301\n5.315804 5.315804 -5.215301\nLi Zr Mn Cl\n2 6 1 15\ndirect\n0.250000 0.750000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.764336 0.764336 0.000000 Zr\n0.000000 0.227183 0.227183 Zr\n0.227183 0.000000 0.227183 Zr\n0.235664 0.235664 0.000000 Zr\n0.000000 0.772817 0.772817 Zr\n0.772817 0.000000 0.772817 Zr\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Cl\n0.000000 0.500000 0.500000 Cl\n0.500000 0.000000 0.500000 Cl\n0.241567 0.241567 0.483134 Cl\n0.001223 0.754719 0.246504 Cl\n0.754719 0.001223 0.246504 Cl\n0.241567 0.758433 0.000000 Cl\n0.491784 0.245281 0.246504 Cl\n0.245281 0.998777 0.753496 Cl\n0.758433 0.241567 0.000000 Cl\n0.998777 0.245281 0.753496 Cl\n0.245281 0.491784 0.246504 Cl\n0.758433 0.758433 0.516866 Cl\n0.508216 0.754719 0.753496 Cl\n0.754719 0.508216 0.753496 Cl\n",
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{
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"structure_string": "H16 Pd2 C4 N2 Cl6\n1.0\n6.669465 3.974003 0.000000\n-6.669465 3.974003 0.000000\n0.000000 0.049149 7.234277\nH Pd C N Cl\n16 2 4 2 6\ndirect\n0.561215 0.088764 0.832884 H\n0.500407 0.223225 0.999636 H\n0.717403 0.248669 0.538404 H\n0.751331 0.282597 0.961596 H\n0.490997 0.330160 0.689761 H\n0.911236 0.438785 0.667116 H\n0.330160 0.490997 0.189761 H\n0.223225 0.500407 0.499636 H\n0.776775 0.499593 0.500364 H\n0.669840 0.509003 0.810239 H\n0.088764 0.561215 0.332884 H\n0.509003 0.669840 0.310239 H\n0.248669 0.717403 0.038404 H\n0.282597 0.751331 0.461596 H\n0.499593 0.776775 0.000364 H\n0.438785 0.911236 0.167116 H\n0.000000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.608442 0.231362 0.896972 C\n0.768638 0.391558 0.603028 C\n0.231362 0.608442 0.396972 C\n0.391558 0.768638 0.103028 C\n0.626477 0.373523 0.750000 N\n0.373523 0.626477 0.250000 N\n0.890146 0.109854 0.250000 Cl\n0.322777 0.179340 0.395079 Cl\n0.179340 0.322777 0.895079 Cl\n0.820660 0.677223 0.104921 Cl\n0.677223 0.820660 0.604921 Cl\n0.109854 0.890146 0.750000 Cl\n",
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{
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"structure_string": "Tl12 Si4 O14\n1.0\n4.966357 -8.601983 0.000000\n4.966357 8.601983 0.000000\n0.000000 0.000000 8.110578\nTl Si O\n12 4 14\ndirect\n0.036651 0.354535 0.369764 Tl\n0.317883 0.963349 0.369764 Tl\n0.645465 0.682117 0.369764 Tl\n0.963349 0.645465 0.630236 Tl\n0.682117 0.036651 0.630236 Tl\n0.354535 0.317883 0.630236 Tl\n0.051560 0.363579 0.878120 Tl\n0.312018 0.948440 0.878120 Tl\n0.636421 0.687982 0.878120 Tl\n0.948440 0.636421 0.121880 Tl\n0.687982 0.051560 0.121880 Tl\n0.363579 0.312018 0.121880 Tl\n0.333333 0.666667 0.170459 Si\n0.666667 0.333333 0.416990 Si\n0.333333 0.666667 0.583010 Si\n0.666667 0.333333 0.829541 Si\n0.848935 0.447867 0.884407 O\n0.552133 0.401069 0.884407 O\n0.598931 0.151065 0.884407 O\n0.401069 0.848935 0.115593 O\n0.666667 0.333333 0.623097 O\n0.333333 0.666667 0.376903 O\n0.598364 0.151315 0.361093 O\n0.552950 0.401636 0.361093 O\n0.848685 0.447050 0.361093 O\n0.401636 0.848685 0.638907 O\n0.447050 0.598364 0.638907 O\n0.151315 0.552950 0.638907 O\n0.151065 0.552133 0.115593 O\n0.447867 0.598931 0.115593 O\n",
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}