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{
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"results": [
{
"id": "mp-1190619",
"created_at": "2022-09-04T14:39:28.109904Z",
"structure_string": "Ca2 B4 H16\n1.0\n0.000000 4.394852 6.589068\n3.751225 0.000000 6.589068\n3.751225 4.394852 0.000000\nCa B H\n2 4 16\ndirect\n0.750000 0.750000 0.750000 Ca\n0.500000 0.500000 0.500000 Ca\n0.970707 0.970707 0.529293 B\n0.529293 0.529293 0.970707 B\n0.279293 0.279293 0.720707 B\n0.720707 0.720707 0.279293 B\n0.053061 0.782545 0.446722 H\n0.782545 0.053061 0.717672 H\n0.446722 0.717672 0.053061 H\n0.717672 0.446722 0.782545 H\n0.196939 0.467455 0.803278 H\n0.467455 0.196939 0.532328 H\n0.803278 0.532328 0.196939 H\n0.532328 0.803278 0.467455 H\n0.122716 0.327443 0.652565 H\n0.327443 0.122716 0.897276 H\n0.652565 0.897276 0.122716 H\n0.897276 0.652565 0.327443 H\n0.127284 0.922557 0.597435 H\n0.922557 0.127284 0.352724 H\n0.597435 0.352724 0.127284 H\n0.352724 0.597435 0.922557 H\n",
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{
"id": "mp-1197902",
"created_at": "2022-09-04T14:39:07.924591Z",
"structure_string": "H28 Pb12 C16 O26\n1.0\n7.357926 0.000000 0.000000\n-0.094670 11.885058 0.000000\n-2.563284 -5.296783 12.591895\nH Pb C O\n28 12 16 26\ndirect\n0.284154 0.551279 0.341895 H\n0.715846 0.448721 0.658105 H\n0.065634 0.540978 0.336588 H\n0.934366 0.459022 0.663412 H\n0.758320 0.488272 0.474503 H\n0.241680 0.511728 0.525497 H\n0.867915 0.619308 0.470193 H\n0.132085 0.380692 0.529807 H\n0.630326 0.617459 0.486149 H\n0.369674 0.382541 0.513851 H\n0.512198 0.134270 0.320443 H\n0.487802 0.865730 0.679557 H\n0.570004 0.293210 0.365909 H\n0.429996 0.706790 0.634091 H\n0.332983 0.236239 0.342443 H\n0.667017 0.763761 0.657557 H\n0.925905 0.860479 0.503142 H\n0.074095 0.139521 0.496858 H\n0.148990 0.930118 0.512210 H\n0.851010 0.069882 0.487790 H\n0.135959 0.800990 0.544146 H\n0.864041 0.199010 0.455854 H\n0.615039 0.230002 0.631684 H\n0.384961 0.769998 0.368316 H\n0.576570 0.101962 0.663751 H\n0.423430 0.898038 0.336249 H\n0.384172 0.181622 0.633472 H\n0.615828 0.818378 0.366528 H\n0.659978 0.411545 0.083086 Pb\n0.340022 0.588455 0.916914 Pb\n0.931337 0.220081 0.208908 Pb\n0.068663 0.779919 0.791092 Pb\n0.144589 0.408462 0.070291 Pb\n0.855411 0.591538 0.929709 Pb\n0.860180 0.089594 0.919255 Pb\n0.139820 0.910406 0.080745 Pb\n0.049564 0.277792 0.780204 Pb\n0.950436 0.722208 0.219796 Pb\n0.334681 0.090613 0.913556 Pb\n0.665319 0.909387 0.086444 Pb\n0.668865 0.511560 0.327868 C\n0.331135 0.488440 0.672132 C\n0.735354 0.563829 0.447237 C\n0.264646 0.436171 0.552763 C\n0.439002 0.204966 0.199714 C\n0.560998 0.795034 0.800286 C\n0.463514 0.219163 0.314315 C\n0.536486 0.780837 0.685685 C\n0.073389 0.967017 0.663979 C\n0.926611 0.032983 0.336021 C\n0.068702 0.884696 0.548620 C\n0.931298 0.115304 0.451380 C\n0.563121 0.274129 0.789137 C\n0.436879 0.725871 0.210863 C\n0.530817 0.192542 0.671912 C\n0.469183 0.807458 0.328088 C\n0.891138 0.283712 0.075480 O\n0.108862 0.716288 0.924520 O\n0.888994 0.033720 0.077187 O\n0.111006 0.966280 0.922813 O\n0.105360 0.463131 0.917378 O\n0.894640 0.536869 0.082622 O\n0.107818 0.217139 0.919461 O\n0.892182 0.782861 0.080539 O\n0.178972 0.596920 0.366730 O\n0.821028 0.403080 0.633270 O\n0.798243 0.485772 0.272219 O\n0.201757 0.514228 0.727781 O\n0.498795 0.492929 0.287005 O\n0.501205 0.507071 0.712995 O\n0.275598 0.193743 0.144610 O\n0.724402 0.806257 0.855390 O\n0.582920 0.198724 0.158396 O\n0.417080 0.801276 0.841604 O\n0.425971 0.309647 0.833863 O\n0.574029 0.690353 0.166137 O\n0.731417 0.302449 0.841415 O\n0.268583 0.697551 0.158585 O\n0.237915 0.000753 0.722657 O\n0.762085 0.999247 0.277343 O\n0.923942 0.996445 0.695622 O\n0.076058 0.003555 0.304378 O\n",
"nsites": 82,
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"elements": [
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"C",
"O"
],
"chemical_system": "C-H-O-Pb",
"density": 4.709148465266281,
"density_atomic": 0.07446737371719636,
"volume": 1101.15337639555,
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"formula_full": "H28 Pb12 C16 O26",
"formula_reduced": "H14Pb6C8O13",
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"energy": -499.66436765,
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"updated_at": "2021-11-28T01:34:43.133000Z",
"spacegroup": 2
},
{
"id": "mp-1201385",
"created_at": "2022-09-04T14:39:28.129270Z",
"structure_string": "Ba6 Fe52 O82\n1.0\n3.011424 -5.215939 0.000000\n3.011424 5.215939 0.000000\n0.000000 0.000000 52.879366\nBa Fe O\n6 52 82\ndirect\n0.333333 0.666667 0.471737 Ba\n0.666667 0.333333 0.528263 Ba\n0.666667 0.333333 0.971737 Ba\n0.333333 0.666667 0.028263 Ba\n0.000000 0.000000 0.250000 Ba\n0.000000 0.000000 0.750000 Ba\n0.000000 0.000000 0.500000 Fe\n0.000000 0.000000 0.000000 Fe\n0.666667 0.333333 0.464962 Fe\n0.333333 0.666667 0.535038 Fe\n0.333333 0.666667 0.964962 Fe\n0.666667 0.333333 0.035038 Fe\n0.000000 0.000000 0.447485 Fe\n0.000000 0.000000 0.552515 Fe\n0.000000 0.000000 0.947485 Fe\n0.000000 0.000000 0.052515 Fe\n0.494793 0.505207 0.409345 Fe\n0.494793 0.989585 0.409345 Fe\n0.010415 0.505207 0.409345 Fe\n0.505207 0.494793 0.590655 Fe\n0.505207 0.010415 0.590655 Fe\n0.989585 0.494793 0.590655 Fe\n0.505207 0.494793 0.909345 Fe\n0.505207 0.010415 0.909345 Fe\n0.989585 0.494793 0.909345 Fe\n0.494793 0.505207 0.090655 Fe\n0.494793 0.989585 0.090655 Fe\n0.010415 0.505207 0.090655 Fe\n0.000000 0.000000 0.373877 Fe\n0.000000 0.000000 0.626123 Fe\n0.000000 0.000000 0.873877 Fe\n0.000000 0.000000 0.126123 Fe\n0.666667 0.333333 0.361520 Fe\n0.333333 0.666667 0.638480 Fe\n0.333333 0.666667 0.861520 Fe\n0.666667 0.333333 0.138480 Fe\n0.333333 0.666667 0.348337 Fe\n0.666667 0.333333 0.651663 Fe\n0.666667 0.333333 0.848337 Fe\n0.333333 0.666667 0.151663 Fe\n0.834728 0.669456 0.313037 Fe\n0.330544 0.165272 0.313037 Fe\n0.834728 0.165272 0.313037 Fe\n0.165272 0.330544 0.686963 Fe\n0.669456 0.834728 0.686963 Fe\n0.165272 0.834728 0.686963 Fe\n0.165272 0.330544 0.813037 Fe\n0.669456 0.834728 0.813037 Fe\n0.165272 0.834728 0.813037 Fe\n0.834728 0.669456 0.186963 Fe\n0.330544 0.165272 0.186963 Fe\n0.834728 0.165272 0.186963 Fe\n0.333333 0.666667 0.276534 Fe\n0.666667 0.333333 0.723466 Fe\n0.666667 0.333333 0.776534 Fe\n0.333333 0.666667 0.223466 Fe\n0.666667 0.333333 0.250000 Fe\n0.333333 0.666667 0.750000 Fe\n0.838437 0.676874 0.476505 O\n0.323126 0.161563 0.476505 O\n0.838437 0.161563 0.476505 O\n0.161563 0.323126 0.523495 O\n0.676874 0.838437 0.523495 O\n0.161563 0.838437 0.523495 O\n0.161563 0.323126 0.976505 O\n0.676874 0.838437 0.976505 O\n0.161563 0.838437 0.976505 O\n0.838437 0.676874 0.023495 O\n0.323126 0.161563 0.023495 O\n0.838437 0.161563 0.023495 O\n0.666667 0.333333 0.427859 O\n0.333333 0.666667 0.572141 O\n0.333333 0.666667 0.927859 O\n0.666667 0.333333 0.072141 O\n0.175116 0.824884 0.428449 O\n0.175116 0.350233 0.428449 O\n0.649767 0.824884 0.428449 O\n0.824884 0.175116 0.571551 O\n0.824884 0.649767 0.571551 O\n0.350233 0.175116 0.571551 O\n0.824884 0.175116 0.928449 O\n0.824884 0.649767 0.928449 O\n0.350233 0.175116 0.928449 O\n0.175116 0.824884 0.071551 O\n0.175116 0.350233 0.071551 O\n0.649767 0.824884 0.071551 O\n0.333333 0.666667 0.385226 O\n0.666667 0.333333 0.614774 O\n0.666667 0.333333 0.885226 O\n0.333333 0.666667 0.114774 O\n0.821951 0.643902 0.384766 O\n0.356098 0.178049 0.384766 O\n0.821951 0.178049 0.384766 O\n0.178049 0.356098 0.615234 O\n0.643902 0.821951 0.615234 O\n0.178049 0.821951 0.615234 O\n0.178049 0.356098 0.884766 O\n0.643902 0.821951 0.884766 O\n0.178049 0.821951 0.884766 O\n0.821951 0.643902 0.115234 O\n0.356098 0.178049 0.115234 O\n0.821951 0.178049 0.115234 O\n0.511884 0.023768 0.337892 O\n0.976232 0.488116 0.337892 O\n0.511884 0.488116 0.337892 O\n0.488116 0.976232 0.662108 O\n0.023768 0.511884 0.662108 O\n0.488116 0.511884 0.662108 O\n0.488116 0.976232 0.837892 O\n0.023768 0.511884 0.837892 O\n0.488116 0.511884 0.837892 O\n0.511884 0.023768 0.162108 O\n0.976232 0.488116 0.162108 O\n0.511884 0.488116 0.162108 O\n0.000000 0.000000 0.336950 O\n0.000000 0.000000 0.663050 O\n0.000000 0.000000 0.836950 O\n0.000000 0.000000 0.163050 O\n0.162334 0.837666 0.294947 O\n0.162334 0.324668 0.294947 O\n0.675332 0.837666 0.294947 O\n0.837666 0.162334 0.705053 O\n0.837666 0.675332 0.705053 O\n0.324668 0.162334 0.705053 O\n0.837666 0.162334 0.794947 O\n0.837666 0.675332 0.794947 O\n0.324668 0.162334 0.794947 O\n0.162334 0.837666 0.205053 O\n0.162334 0.324668 0.205053 O\n0.675332 0.837666 0.205053 O\n0.666667 0.333333 0.293920 O\n0.333333 0.666667 0.706080 O\n0.333333 0.666667 0.793920 O\n0.666667 0.333333 0.206080 O\n0.483258 0.516742 0.250000 O\n0.483258 0.966516 0.250000 O\n0.033484 0.516742 0.250000 O\n0.516742 0.483258 0.750000 O\n0.516742 0.033484 0.750000 O\n0.966516 0.483258 0.750000 O\n",
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"formula_full": "Ba6 Fe52 O82",
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"spacegroup": 194
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{
"id": "mp-1210742",
"created_at": "2022-09-04T14:39:28.159044Z",
"structure_string": "Na2 Sb2 O24\n1.0\n9.402494 0.000000 0.000000\n0.000000 9.402494 0.000000\n0.000000 0.000000 6.710522\nNa Sb O\n2 2 24\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 0.000000 Sb\n0.585539 0.125896 0.149208 O\n0.414461 0.874104 0.149208 O\n0.625896 0.914461 0.649208 O\n0.914461 0.374104 0.350792 O\n0.374104 0.085539 0.649208 O\n0.085539 0.625896 0.350792 O\n0.874104 0.585539 0.850792 O\n0.125896 0.414461 0.850792 O\n0.311437 0.913482 0.051757 O\n0.688563 0.086518 0.051757 O\n0.413482 0.188563 0.551757 O\n0.188563 0.586518 0.448243 O\n0.586518 0.811437 0.551757 O\n0.811437 0.413482 0.448243 O\n0.086518 0.311437 0.948243 O\n0.913482 0.688563 0.948243 O\n0.133106 0.052100 0.703296 O\n0.866894 0.947900 0.703296 O\n0.552100 0.366894 0.203296 O\n0.366894 0.447900 0.796704 O\n0.447900 0.633106 0.203296 O\n0.633106 0.552100 0.796704 O\n0.947900 0.133106 0.296704 O\n0.052100 0.866894 0.296704 O\n",
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"formula_full": "Na2 Sb2 O24",
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"spacegroup": 86
},
{
"id": "mp-1189723",
"created_at": "2022-09-04T14:39:28.250820Z",
"structure_string": "Na8 Si8\n1.0\n5.129091 3.290787 -1.663611\n5.129091 -3.290787 -1.663611\n0.394442 0.000000 -10.858135\nNa Si\n8 8\ndirect\n0.884595 0.349277 0.887068 Na\n0.650723 0.115405 0.612932 Na\n0.115405 0.650723 0.112932 Na\n0.349277 0.884595 0.387068 Na\n0.414765 0.243101 0.904652 Na\n0.756899 0.585235 0.595348 Na\n0.585235 0.756899 0.095348 Na\n0.243101 0.414765 0.404652 Na\n0.153291 0.056791 0.659004 Si\n0.943209 0.846709 0.840996 Si\n0.846709 0.943209 0.340996 Si\n0.056791 0.153291 0.159004 Si\n0.231025 0.634625 0.672346 Si\n0.365375 0.768975 0.827654 Si\n0.768975 0.365375 0.327654 Si\n0.634625 0.231025 0.172346 Si\n",
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{
"id": "mp-1225359",
"created_at": "2022-09-04T14:39:28.261851Z",
"structure_string": "Fe4 Cu8 B4 O20\n1.0\n12.188884 0.000000 0.000000\n0.000000 3.135215 0.000000\n0.000000 1.288797 9.564953\nFe Cu B O\n4 8 4 20\ndirect\n0.617785 0.944368 0.734494 Fe\n0.117785 0.055632 0.765506 Fe\n0.382215 0.055632 0.265506 Fe\n0.882215 0.944368 0.234494 Fe\n0.500000 0.500000 0.500000 Cu\n0.000000 0.500000 0.000000 Cu\n0.277466 0.544904 0.009527 Cu\n0.777466 0.455096 0.490473 Cu\n0.722534 0.455096 0.990473 Cu\n0.222534 0.544904 0.509527 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.366363 0.048114 0.736754 B\n0.866363 0.951886 0.763246 B\n0.633637 0.951886 0.263246 B\n0.133637 0.048114 0.236754 B\n0.411994 0.601750 0.127131 O\n0.911994 0.398250 0.372869 O\n0.588006 0.398250 0.872869 O\n0.088006 0.601750 0.627131 O\n0.645062 0.491335 0.599289 O\n0.145062 0.508665 0.900711 O\n0.354938 0.508665 0.400711 O\n0.854938 0.491335 0.099289 O\n0.369102 0.962286 0.880943 O\n0.869102 0.037714 0.619057 O\n0.630898 0.037714 0.119057 O\n0.130898 0.962286 0.380943 O\n0.233678 0.117066 0.171647 O\n0.733678 0.882934 0.328353 O\n0.766322 0.882934 0.828353 O\n0.266322 0.117066 0.671647 O\n0.462034 0.053059 0.659889 O\n0.962034 0.946941 0.840111 O\n0.537966 0.946941 0.340111 O\n0.037966 0.053059 0.159889 O\n",
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"formula_full": "Fe4 Cu8 B4 O20",
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