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{
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{
"id": "mp-1036742",
"created_at": "2022-09-04T14:40:20.066401Z",
"structure_string": "Mg30 V1 Cd1 O32\n1.0\n8.560096 0.000000 0.000000\n0.000000 8.560096 0.000000\n0.000000 0.000000 8.585168\nMg V Cd O\n30 1 1 32\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.000000 0.252597 0.248168 Mg\n0.000000 0.252597 0.751832 Mg\n0.000000 0.747403 0.248168 Mg\n0.000000 0.747403 0.751832 Mg\n0.500000 0.250110 0.249801 Mg\n0.500000 0.250110 0.750199 Mg\n0.500000 0.749890 0.249801 Mg\n0.500000 0.749890 0.750199 Mg\n0.252597 0.000000 0.248168 Mg\n0.252597 0.000000 0.751832 Mg\n0.250110 0.500000 0.249801 Mg\n0.250110 0.500000 0.750199 Mg\n0.747403 0.000000 0.248168 Mg\n0.747403 0.000000 0.751832 Mg\n0.749890 0.500000 0.249801 Mg\n0.749890 0.500000 0.750199 Mg\n0.250355 0.250355 0.000000 Mg\n0.252236 0.252236 0.500000 Mg\n0.250355 0.749645 0.000000 Mg\n0.252236 0.747764 0.500000 Mg\n0.749645 0.250355 0.000000 Mg\n0.747764 0.252236 0.500000 Mg\n0.749645 0.749645 0.000000 Mg\n0.747764 0.747764 0.500000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.000000 0.500000 Cd\n0.255642 0.000000 0.000000 O\n0.264416 0.000000 0.500000 O\n0.250712 0.500000 0.000000 O\n0.252068 0.500000 0.500000 O\n0.744358 0.000000 0.000000 O\n0.735584 0.000000 0.500000 O\n0.749288 0.500000 0.000000 O\n0.747932 0.500000 0.500000 O\n0.249454 0.249454 0.250152 O\n0.249454 0.249454 0.749848 O\n0.249454 0.750546 0.250152 O\n0.249454 0.750546 0.749848 O\n0.750546 0.249454 0.250152 O\n0.750546 0.249454 0.749848 O\n0.750546 0.750546 0.250152 O\n0.750546 0.750546 0.749848 O\n0.000000 0.000000 0.242845 O\n0.000000 0.000000 0.757155 O\n0.000000 0.500000 0.248132 O\n0.000000 0.500000 0.751868 O\n0.500000 0.000000 0.248132 O\n0.500000 0.000000 0.751868 O\n0.500000 0.500000 0.249503 O\n0.500000 0.500000 0.750497 O\n0.000000 0.255642 0.000000 O\n0.000000 0.264416 0.500000 O\n0.000000 0.744358 0.000000 O\n0.000000 0.735584 0.500000 O\n0.500000 0.250712 0.000000 O\n0.500000 0.252068 0.500000 O\n0.500000 0.749288 0.000000 O\n0.500000 0.747932 0.500000 O\n",
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"V",
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"O"
],
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"formula_full": "Mg30 V1 Cd1 O32",
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"formula_anonymous": "ABC30D32",
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"updated_at": "2021-11-28T01:34:50.366000Z",
"spacegroup": 123
},
{
"id": "mp-1026809",
"created_at": "2022-09-04T14:40:20.069182Z",
"structure_string": "Rb1 Ce1 Mg14\n1.0\n6.691304 0.027307 0.000000\n-3.322004 5.753878 0.000000\n0.000000 0.000000 10.753353\nRb Ce Mg\n1 1 14\ndirect\n0.168838 0.834419 0.125000 Rb\n0.178602 0.339301 0.125000 Ce\n0.160385 0.330192 0.625000 Mg\n0.163415 0.831707 0.625000 Mg\n0.667954 0.329335 0.125000 Mg\n0.668820 0.332755 0.625000 Mg\n0.667954 0.838618 0.125000 Mg\n0.668820 0.836065 0.625000 Mg\n0.338065 0.175479 0.393656 Mg\n0.338065 0.175479 0.856344 Mg\n0.338065 0.662588 0.393656 Mg\n0.338065 0.662588 0.856344 Mg\n0.831794 0.165897 0.377459 Mg\n0.831794 0.165897 0.872541 Mg\n0.819681 0.659841 0.385344 Mg\n0.819681 0.659841 0.864656 Mg\n",
"nsites": 16,
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"elements": [
"Rb",
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg-Rb",
"density": 2.2642061319570272,
"density_atomic": 0.0385551689599326,
"volume": 414.98975187030203,
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"formula_full": "Rb1 Ce1 Mg14",
"formula_reduced": "RbCeMg14",
"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:46.899000Z",
"spacegroup": 38
},
{
"id": "mp-558019",
"created_at": "2022-09-04T14:40:20.359119Z",
"structure_string": "Ce24 Si16 B8 O80\n1.0\n7.221985 0.000000 0.000000\n0.000000 9.939271 0.000000\n0.000000 0.000000 23.426855\nCe Si B O\n24 16 8 80\ndirect\n0.907346 0.732173 0.817195 Ce\n0.823223 0.365163 0.336463 Ce\n0.092654 0.767827 0.317195 Ce\n0.676777 0.865163 0.663537 Ce\n0.092654 0.267827 0.182805 Ce\n0.676777 0.365163 0.836463 Ce\n0.137382 0.990782 0.572152 Ce\n0.407346 0.767827 0.817195 Ce\n0.823223 0.865163 0.163537 Ce\n0.592654 0.232173 0.182805 Ce\n0.176777 0.634837 0.663537 Ce\n0.407346 0.267827 0.682805 Ce\n0.362618 0.990782 0.072152 Ce\n0.323223 0.634837 0.163537 Ce\n0.637382 0.009218 0.927848 Ce\n0.907346 0.232173 0.682805 Ce\n0.637382 0.509218 0.572152 Ce\n0.137382 0.490782 0.927848 Ce\n0.176777 0.134837 0.836463 Ce\n0.862618 0.009218 0.427848 Ce\n0.862618 0.509218 0.072152 Ce\n0.362618 0.490782 0.427848 Ce\n0.592654 0.732173 0.317195 Ce\n0.323223 0.134837 0.336463 Ce\n0.142720 0.876250 0.921478 Si\n0.685683 0.561351 0.720564 Si\n0.857280 0.123750 0.078522 Si\n0.814317 0.061351 0.279436 Si\n0.142720 0.376250 0.578522 Si\n0.314317 0.938649 0.220564 Si\n0.857280 0.623750 0.421478 Si\n0.814317 0.561351 0.220564 Si\n0.642720 0.623750 0.921478 Si\n0.314317 0.438649 0.279436 Si\n0.357280 0.376250 0.078522 Si\n0.185683 0.938649 0.720564 Si\n0.642720 0.123750 0.578522 Si\n0.185683 0.438649 0.779436 Si\n0.357280 0.876250 0.421478 Si\n0.685683 0.061351 0.779436 Si\n0.657511 0.256208 0.472449 B\n0.342489 0.243792 0.972449 B\n0.157511 0.743792 0.027551 B\n0.342489 0.743792 0.527551 B\n0.842489 0.756208 0.527551 B\n0.157511 0.243792 0.472449 B\n0.842489 0.256208 0.972449 B\n0.657511 0.756208 0.027551 B\n0.537145 0.108013 0.828219 O\n0.294548 0.103907 0.221161 O\n0.337350 0.860411 0.491945 O\n0.037712 0.038389 0.099251 O\n0.037145 0.891987 0.671781 O\n0.794548 0.396093 0.221161 O\n0.824799 0.548374 0.894207 O\n0.962288 0.961611 0.900749 O\n0.735513 0.738678 0.080414 O\n0.037712 0.538389 0.400749 O\n0.162650 0.360411 0.508055 O\n0.127549 0.346429 0.289338 O\n0.354234 0.726615 0.390443 O\n0.372451 0.846429 0.710662 O\n0.764487 0.738678 0.580414 O\n0.630497 0.097866 0.712499 O\n0.854234 0.773385 0.390443 O\n0.264487 0.761322 0.580414 O\n0.205452 0.103907 0.721161 O\n0.462288 0.538389 0.900749 O\n0.537712 0.461611 0.099251 O\n0.162650 0.860411 0.991945 O\n0.794548 0.896092 0.278839 O\n0.462288 0.038389 0.599251 O\n0.369503 0.402134 0.212499 O\n0.579902 0.872225 0.008605 O\n0.420098 0.627775 0.508605 O\n0.372451 0.346429 0.789338 O\n0.145766 0.726615 0.890443 O\n0.735513 0.238678 0.419586 O\n0.630497 0.597866 0.787501 O\n0.537712 0.961611 0.400749 O\n0.462855 0.891987 0.171781 O\n0.645766 0.773385 0.890443 O\n0.962855 0.108013 0.328219 O\n0.962288 0.461611 0.599251 O\n0.824799 0.048374 0.605793 O\n0.920098 0.372225 0.991395 O\n0.145766 0.226615 0.609557 O\n0.869503 0.097866 0.212499 O\n0.872451 0.653571 0.710662 O\n0.294548 0.603908 0.278839 O\n0.675201 0.048374 0.105793 O\n0.354234 0.226615 0.109557 O\n0.872451 0.153571 0.789338 O\n0.705452 0.396093 0.721161 O\n0.920098 0.872225 0.508605 O\n0.175201 0.951626 0.394207 O\n0.675201 0.548374 0.394207 O\n0.645766 0.273385 0.609557 O\n0.962855 0.608013 0.171781 O\n0.130497 0.402134 0.712499 O\n0.235513 0.261322 0.419586 O\n0.764487 0.238678 0.919586 O\n0.420098 0.127775 0.991395 O\n0.264487 0.261322 0.919586 O\n0.854234 0.273385 0.109557 O\n0.369503 0.902134 0.287501 O\n0.705452 0.896092 0.778839 O\n0.037145 0.391987 0.828219 O\n0.579902 0.372225 0.491395 O\n0.462855 0.391987 0.328219 O\n0.324799 0.451626 0.605793 O\n0.837350 0.139589 0.008055 O\n0.079902 0.127775 0.491395 O\n0.130497 0.902134 0.787501 O\n0.537145 0.608013 0.671781 O\n0.869503 0.597866 0.287501 O\n0.205452 0.603908 0.778839 O\n0.662650 0.139589 0.508055 O\n0.175201 0.451626 0.105793 O\n0.627549 0.653571 0.210662 O\n0.127549 0.846429 0.210662 O\n0.337350 0.360411 0.008055 O\n0.235513 0.761322 0.080414 O\n0.627549 0.153571 0.289338 O\n0.324799 0.951626 0.894207 O\n0.837350 0.639589 0.491945 O\n0.662650 0.639589 0.991945 O\n0.079902 0.627775 0.008605 O\n",
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],
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"density": 5.11370522545375,
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"volume": 1681.6093120070675,
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"formula_full": "Ce24 Si16 B8 O80",
"formula_reduced": "Ce3Si2BO10",
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"updated_at": "2021-11-28T01:34:51.464000Z",
"spacegroup": 61
},
{
"id": "mp-729119",
"created_at": "2022-09-04T14:40:20.360290Z",
"structure_string": "Li2 V10 H36 N4 O38\n1.0\n-8.581164 0.000000 0.000000\n4.017223 9.498991 0.000000\n-0.680346 -4.252909 -10.450792\nLi V H N O\n2 10 36 4 38\ndirect\n0.434925 0.339614 0.864415 Li\n0.565075 0.660386 0.135585 Li\n0.965952 0.798689 0.766519 V\n0.034048 0.201311 0.233481 V\n0.811245 0.503034 0.519335 V\n0.188755 0.496966 0.480665 V\n0.976268 0.496260 0.256267 V\n0.023732 0.503740 0.743733 V\n0.126277 0.790707 0.503271 V\n0.873723 0.209293 0.496729 V\n0.329836 0.790004 0.725984 V\n0.670164 0.209996 0.274016 V\n0.761998 0.565358 0.936147 H\n0.238002 0.434642 0.063853 H\n0.751812 0.496155 0.038092 H\n0.248188 0.503845 0.961908 H\n0.427799 0.462302 0.275748 H\n0.572201 0.537698 0.724252 H\n0.605053 0.463585 0.231321 H\n0.394947 0.536415 0.768679 H\n0.120223 0.089269 0.725403 H\n0.879777 0.910731 0.274597 H\n0.104512 0.246015 0.764484 H\n0.895488 0.753985 0.235516 H\n0.495390 0.094728 0.676544 H\n0.504610 0.905272 0.323456 H\n0.638888 0.251479 0.679264 H\n0.361112 0.748521 0.320736 H\n0.332562 0.103227 0.936631 H\n0.667438 0.896773 0.063369 H\n0.411542 0.253412 0.057362 H\n0.588458 0.746588 0.942638 H\n0.255356 0.089176 0.456234 H\n0.744644 0.910824 0.543766 H\n0.407466 0.259569 0.462726 H\n0.592534 0.740431 0.537274 H\n0.384296 0.211269 0.592107 H\n0.615704 0.788731 0.407893 H\n0.234427 0.254559 0.543583 H\n0.765573 0.745441 0.456417 H\n0.229760 0.928913 0.120869 H\n0.770240 0.071087 0.879131 H\n0.149612 0.748222 0.120102 H\n0.850388 0.251778 0.879898 H\n0.167029 0.778930 0.982174 H\n0.832971 0.221070 0.017826 H\n0.345068 0.821347 0.069625 H\n0.654932 0.178653 0.930375 H\n0.320223 0.203519 0.512773 N\n0.679777 0.796481 0.487227 N\n0.223012 0.819664 0.074042 N\n0.776988 0.180336 0.925958 N\n0.158448 0.889483 0.411568 O\n0.841552 0.110517 0.588432 O\n0.006610 0.604527 0.171616 O\n0.993390 0.395473 0.828384 O\n0.882635 0.907607 0.866769 O\n0.117365 0.092393 0.133231 O\n0.522250 0.890996 0.796752 O\n0.477750 0.109004 0.203248 O\n0.018308 0.877008 0.637169 O\n0.981692 0.122992 0.362831 O\n0.760951 0.633987 0.647471 O\n0.239049 0.366013 0.352529 O\n0.752571 0.367148 0.206829 O\n0.247429 0.632852 0.793171 O\n0.327669 0.872825 0.601852 O\n0.672331 0.127175 0.398148 O\n0.624217 0.372899 0.425090 O\n0.375783 0.627101 0.574910 O\n0.937258 0.642393 0.833262 O\n0.062742 0.357607 0.166738 O\n0.197096 0.884909 0.826013 O\n0.802904 0.115091 0.173987 O\n0.895853 0.625678 0.419246 O\n0.104147 0.374322 0.580754 O\n0.815789 0.379859 0.616854 O\n0.184211 0.620141 0.383146 O\n0.064490 0.620952 0.604210 O\n0.935510 0.379048 0.395790 O\n0.681317 0.513808 0.986175 O\n0.318683 0.486192 0.013825 O\n0.516818 0.499747 0.223638 O\n0.483182 0.500253 0.776362 O\n0.183462 0.199791 0.767707 O\n0.816538 0.800209 0.232293 O\n0.529214 0.205217 0.710264 O\n0.470786 0.794783 0.289736 O\n0.426018 0.204426 0.967639 O\n0.573982 0.795574 0.032361 O\n",
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{
"id": "mp-1261437",
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"structure_string": "Ce1 Mg6 Al1\n1.0\n7.500045 -0.092731 0.000000\n-3.899728 5.335382 0.000000\n0.000000 0.000000 4.892658\nCe Mg Al\n1 6 1\ndirect\n0.351852 0.256050 0.750000 Ce\n0.159491 0.836574 0.250000 Mg\n0.675876 0.281437 0.250000 Mg\n0.649390 0.752548 0.250000 Mg\n0.322990 0.722211 0.750000 Mg\n0.841890 0.160501 0.750000 Mg\n0.876104 0.675567 0.750000 Mg\n0.122407 0.315114 0.250000 Al\n",
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"formula_full": "Ce1 Mg6 Al1",
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{
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