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{
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{
"id": "mp-961655",
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"structure_string": "Y1 Cd1 Ga1\n1.0\n0.000000 3.470430 3.470430\n3.470430 0.000000 3.470430\n3.470430 3.470430 0.000000\nY Cd Ga\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Y\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Ga\n",
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{
"id": "mp-1214657",
"created_at": "2022-09-04T14:39:22.778900Z",
"structure_string": "Cd2 Re4 C12 N24 O28\n1.0\n8.167441 0.000000 0.000000\n0.000000 10.689600 0.000000\n0.000000 10.032335 15.607555\nCd Re C N O\n2 4 12 24 28\ndirect\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Cd\n0.858325 0.582286 0.340633 Re\n0.141675 0.417714 0.659367 Re\n0.358325 0.417714 0.159367 Re\n0.641675 0.582286 0.840633 Re\n0.863648 0.689526 0.048830 C\n0.136352 0.310474 0.951170 C\n0.363648 0.310474 0.451170 C\n0.636352 0.689526 0.548830 C\n0.354574 0.966514 0.345508 C\n0.645426 0.033486 0.654492 C\n0.854574 0.033486 0.154492 C\n0.145426 0.966514 0.845508 C\n0.343979 0.864011 0.102285 C\n0.656021 0.135989 0.897715 C\n0.843979 0.135989 0.397715 C\n0.156021 0.864011 0.602285 C\n0.344799 0.745106 0.186542 N\n0.655201 0.254894 0.813458 N\n0.844799 0.254894 0.313458 N\n0.155201 0.745106 0.686542 N\n0.794466 0.563132 0.060865 N\n0.205534 0.436868 0.939135 N\n0.294466 0.436868 0.439135 N\n0.705534 0.563132 0.560865 N\n0.774363 0.044732 0.215824 N\n0.225637 0.955268 0.784176 N\n0.274363 0.955268 0.284176 N\n0.725637 0.044732 0.715824 N\n0.484864 0.816485 0.148356 N\n0.515136 0.183515 0.851644 N\n0.984864 0.183515 0.351644 N\n0.015136 0.816485 0.648356 N\n0.265053 0.842215 0.365542 N\n0.734947 0.157785 0.634458 N\n0.765053 0.157785 0.134458 N\n0.234947 0.842215 0.865542 N\n0.780534 0.692771 0.509412 N\n0.219466 0.307229 0.490588 N\n0.280534 0.307229 0.990588 N\n0.719466 0.692771 0.009412 N\n0.974252 0.751576 0.061627 O\n0.025748 0.248424 0.938373 O\n0.474252 0.248424 0.438373 O\n0.525748 0.751576 0.561627 O\n0.276323 0.955610 0.034917 O\n0.723677 0.044390 0.965083 O\n0.776323 0.044390 0.465083 O\n0.223677 0.955610 0.534917 O\n0.659387 0.656107 0.314897 O\n0.340613 0.343893 0.685103 O\n0.159387 0.343893 0.185103 O\n0.840613 0.656107 0.814897 O\n0.862205 0.429213 0.446963 O\n0.137795 0.570787 0.553037 O\n0.362205 0.570787 0.053037 O\n0.637795 0.429213 0.946963 O\n0.992555 0.720694 0.328002 O\n0.007445 0.279306 0.671998 O\n0.492555 0.279306 0.171998 O\n0.507445 0.720694 0.828002 O\n0.941477 0.965615 0.133952 O\n0.058523 0.034385 0.866048 O\n0.441477 0.034385 0.366048 O\n0.558523 0.965615 0.633952 O\n0.920750 0.521538 0.273228 O\n0.079250 0.478462 0.726772 O\n0.420750 0.478462 0.226772 O\n0.579250 0.521538 0.773228 O\n",
"nsites": 70,
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"formula_full": "Cd2 Re4 C12 N24 O28",
"formula_reduced": "CdRe2C6(N6O7)2",
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},
{
"id": "mp-1028237",
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"structure_string": "Na1 Mg14 Al1\n1.0\n6.356945 -0.015087 0.000000\n-3.191538 5.527906 0.000000\n0.000000 0.000000 10.423528\nNa Mg Al\n1 14 1\ndirect\n0.166468 0.833234 0.125000 Na\n0.166752 0.333376 0.625000 Mg\n0.167127 0.833563 0.625000 Mg\n0.667233 0.337048 0.125000 Mg\n0.666455 0.333020 0.625000 Mg\n0.667233 0.830185 0.125000 Mg\n0.666455 0.833434 0.625000 Mg\n0.332174 0.170535 0.374343 Mg\n0.332174 0.170535 0.875657 Mg\n0.332174 0.661640 0.374343 Mg\n0.332174 0.661640 0.875657 Mg\n0.836167 0.168084 0.370832 Mg\n0.836167 0.168084 0.879168 Mg\n0.829970 0.664985 0.378174 Mg\n0.829970 0.664985 0.871826 Mg\n0.171304 0.335652 0.125000 Al\n",
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"volume": 365.7870692177325,
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"formula_full": "Na1 Mg14 Al1",
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"updated_at": "2021-11-28T01:34:38.274000Z",
"spacegroup": 38
},
{
"id": "mp-1111493",
"created_at": "2022-09-04T14:39:18.489230Z",
"structure_string": "K3 Er1 Cl6\n1.0\n0.000000 5.582801 5.582801\n5.582801 0.000000 5.582801\n5.582801 5.582801 0.000000\nK Er Cl\n3 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Er\n0.766568 0.233432 0.233432 Cl\n0.233432 0.233432 0.766568 Cl\n0.233432 0.766568 0.766568 Cl\n0.233432 0.766568 0.233432 Cl\n0.766568 0.233432 0.766568 Cl\n0.766568 0.766568 0.233432 Cl\n",
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"volume": 348.00576505307254,
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"formula_full": "K3 Er1 Cl6",
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{
"id": "mp-15520",
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"structure_string": "Tb4 Zn4 B20 O40\n1.0\n7.686103 0.000000 0.000000\n0.000000 8.657643 0.000000\n0.000000 8.108883 9.416000\nTb Zn B O\n4 4 20 40\ndirect\n0.183592 0.944986 0.241177 Tb\n0.683592 0.055014 0.258823 Tb\n0.816408 0.055014 0.758823 Tb\n0.316408 0.944986 0.741177 Tb\n0.409529 0.481208 0.126845 Zn\n0.909529 0.518792 0.373155 Zn\n0.590471 0.518792 0.873155 Zn\n0.090471 0.481208 0.626845 Zn\n0.573698 0.663013 0.254423 B\n0.186683 0.522503 0.912266 B\n0.686683 0.477497 0.587734 B\n0.813317 0.477497 0.087734 B\n0.313317 0.522503 0.412266 B\n0.897059 0.849952 0.491024 B\n0.397059 0.150048 0.008976 B\n0.102941 0.150048 0.508976 B\n0.602941 0.849952 0.991024 B\n0.073698 0.336987 0.245577 B\n0.426302 0.336987 0.745577 B\n0.926302 0.663013 0.754423 B\n0.324664 0.085774 0.396913 B\n0.824664 0.914226 0.103087 B\n0.675336 0.914226 0.603087 B\n0.175336 0.085774 0.896913 B\n0.530767 0.279510 0.442815 B\n0.030767 0.720490 0.057185 B\n0.469233 0.720490 0.557185 B\n0.969233 0.279510 0.942815 B\n0.202907 0.187477 0.275130 O\n0.653822 0.422282 0.069935 O\n0.153822 0.577718 0.430065 O\n0.346178 0.577718 0.930065 O\n0.846178 0.422282 0.569935 O\n0.444590 0.114675 0.127931 O\n0.944590 0.885325 0.372069 O\n0.555410 0.885325 0.872069 O\n0.702907 0.812523 0.224870 O\n0.055410 0.114675 0.627931 O\n0.297093 0.187477 0.775130 O\n0.797093 0.812523 0.724870 O\n0.532106 0.695967 0.122252 O\n0.032106 0.304033 0.377748 O\n0.467894 0.304033 0.877748 O\n0.967894 0.695967 0.622252 O\n0.408487 0.687430 0.301704 O\n0.908487 0.312570 0.198296 O\n0.591513 0.312570 0.698296 O\n0.091513 0.687430 0.801704 O\n0.647192 0.456981 0.360624 O\n0.147192 0.543019 0.139376 O\n0.352808 0.543019 0.639376 O\n0.852808 0.456981 0.860624 O\n0.468406 0.235586 0.349903 O\n0.968406 0.764414 0.150097 O\n0.531594 0.764414 0.650097 O\n0.031594 0.235586 0.849903 O\n0.392288 0.904834 0.421175 O\n0.892288 0.095166 0.078825 O\n0.607712 0.095166 0.578825 O\n0.124865 0.327813 0.990698 O\n0.232616 0.024869 0.523143 O\n0.732616 0.975131 0.976857 O\n0.767384 0.975131 0.476857 O\n0.267384 0.024869 0.023143 O\n0.375135 0.327813 0.490698 O\n0.875135 0.672187 0.009302 O\n0.624865 0.672187 0.509302 O\n0.107712 0.904834 0.921175 O\n",
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{
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"structure_string": "Yb2 Ag2 S4\n1.0\n-2.775092 2.775092 5.404203\n2.775092 -2.775092 5.404203\n2.775092 2.775092 -5.404203\nYb Ag S\n2 2 4\ndirect\n0.750000 0.250000 0.500000 Yb\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.000000 Ag\n0.250000 0.750000 0.500000 Ag\n0.739962 0.739962 0.000000 S\n0.489962 0.989962 0.500000 S\n0.260038 0.260038 0.000000 S\n0.010038 0.510038 0.500000 S\n",
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{
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"structure_string": "Ba1 Ga4\n1.0\n-2.310546 2.310546 5.446370\n2.310546 -2.310546 5.446370\n2.310546 2.310546 -5.446370\nBa Ga\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.621088 0.621088 0.000000 Ga\n0.250000 0.750000 0.500000 Ga\n0.750000 0.250000 0.500000 Ga\n0.378912 0.378912 0.000000 Ga\n",
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{
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"structure_string": "Na5 Li1 N2\n1.0\n3.099587 3.022054 0.000000\n-3.099587 3.022054 0.000000\n0.000000 0.157923 6.144034\nNa Li N\n5 1 2\ndirect\n0.625669 0.374331 0.000000 Na\n0.568136 0.853638 0.214323 Na\n0.082997 0.917003 0.500000 Na\n0.616738 0.383262 0.500000 Na\n0.146362 0.431864 0.785677 Na\n0.099291 0.900709 0.000000 Li\n0.109043 0.427236 0.222408 N\n0.572764 0.890957 0.777592 N\n",
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{
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"structure_string": "Nb6 Ir2 Se16\n1.0\n3.478596 6.036141 0.000000\n-3.478596 6.036141 0.000000\n0.000000 5.777231 14.093838\nNb Ir Se\n6 2 16\ndirect\n0.018780 0.753702 0.000079 Nb\n0.753702 0.018780 0.500079 Nb\n0.029965 0.215716 0.997842 Nb\n0.492367 0.286475 0.002331 Nb\n0.286475 0.492367 0.502331 Nb\n0.215716 0.029965 0.497842 Nb\n0.751755 0.450368 0.499652 Ir\n0.450368 0.751755 0.999652 Ir\n0.217119 0.982198 0.868655 Se\n0.549322 0.756584 0.598760 Se\n0.238467 0.475532 0.880830 Se\n0.725798 0.488863 0.884704 Se\n0.954532 0.697447 0.400562 Se\n0.525282 0.258918 0.630553 Se\n0.697447 0.954532 0.900562 Se\n0.982198 0.217119 0.368655 Se\n0.258918 0.525282 0.130553 Se\n0.018407 0.297022 0.614920 Se\n0.031062 0.790797 0.619326 Se\n0.297022 0.018407 0.114920 Se\n0.475532 0.238467 0.380830 Se\n0.488863 0.725798 0.384704 Se\n0.790797 0.031062 0.119326 Se\n0.756584 0.549322 0.098760 Se\n",
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{
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}