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{
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"formula_full": "V8 Pb8 Se8 O40 F8",
"formula_reduced": "VPbSeO5F",
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"spacegroup": 61
},
{
"id": "mp-1519688",
"created_at": "2022-09-04T14:41:03.798112Z",
"structure_string": "Ba1 Ca1 Nd1 Nb1 O6\n1.0\n0.000000 -4.318595 -4.318595\n4.318595 -0.000000 -4.318595\n4.318595 -4.318595 -0.000000\nBa Ca Nd Nb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n0.500000 0.500000 0.500000 Nd\n0.000000 0.000000 0.000000 Nb\n0.767114 0.232886 0.232886 O\n0.232886 0.767114 0.767114 O\n0.767114 0.232886 0.767114 O\n0.232886 0.767114 0.232886 O\n0.767114 0.767114 0.232886 O\n0.232886 0.232886 0.767114 O\n",
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],
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"formula_full": "Ba1 Ca1 Nd1 Nb1 O6",
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},
{
"id": "mp-11738",
"created_at": "2022-09-04T14:40:31.467000Z",
"structure_string": "Na6 P2 S6 O2\n1.0\n4.812589 -5.848538 0.000000\n4.812589 5.848538 0.000000\n0.000000 0.000000 5.971021\nNa P S O\n6 2 6 2\ndirect\n0.915458 0.681636 0.253291 Na\n0.630894 0.369106 0.705189 Na\n0.369106 0.630894 0.205189 Na\n0.318364 0.084542 0.253291 Na\n0.084542 0.318364 0.753291 Na\n0.681636 0.915458 0.753291 Na\n0.794250 0.205750 0.145570 P\n0.205750 0.794250 0.645570 P\n0.045025 0.310752 0.271162 S\n0.620909 0.379091 0.231218 S\n0.379091 0.620909 0.731218 S\n0.954975 0.689248 0.771162 S\n0.689248 0.954975 0.271162 S\n0.310752 0.045025 0.771162 S\n0.803046 0.196954 0.887216 O\n0.196954 0.803046 0.387215 O\n",
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{
"id": "mp-28475",
"created_at": "2022-09-04T14:45:33.937233Z",
"structure_string": "H8 Pb12 O16\n1.0\n8.319314 0.000000 0.000000\n0.000000 8.319314 0.000000\n0.000000 0.000000 9.449102\nH Pb O\n8 12 16\ndirect\n0.661735 0.823065 0.740162 H\n0.338265 0.176935 0.740162 H\n0.676935 0.838265 0.240162 H\n0.176935 0.661735 0.259838 H\n0.823065 0.338265 0.259838 H\n0.838265 0.323065 0.759838 H\n0.161735 0.676935 0.759838 H\n0.323065 0.161735 0.240162 H\n0.500000 0.500000 0.778118 Pb\n0.500000 0.500000 0.221882 Pb\n0.000000 0.000000 0.721882 Pb\n0.000000 0.000000 0.278118 Pb\n0.795002 0.624392 0.503501 Pb\n0.204998 0.375608 0.503501 Pb\n0.875608 0.704998 0.003501 Pb\n0.375608 0.795002 0.496499 Pb\n0.624392 0.204998 0.496499 Pb\n0.704998 0.124392 0.996499 Pb\n0.295002 0.875608 0.996499 Pb\n0.124392 0.295002 0.003501 Pb\n0.806615 0.918573 0.871759 O\n0.193385 0.081427 0.871759 O\n0.581427 0.693385 0.371759 O\n0.081427 0.806615 0.128241 O\n0.250967 0.107577 0.171145 O\n0.107577 0.749033 0.828855 O\n0.892423 0.250967 0.828855 O\n0.750967 0.392423 0.328855 O\n0.249033 0.607577 0.328855 O\n0.749033 0.892423 0.171145 O\n0.392423 0.249033 0.671145 O\n0.607577 0.750967 0.671145 O\n0.418573 0.306615 0.371759 O\n0.306615 0.581427 0.628241 O\n0.693385 0.418573 0.628241 O\n0.918573 0.193385 0.128241 O\n",
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"spacegroup": 114
},
{
"id": "mp-721011",
"created_at": "2022-09-04T14:41:02.792515Z",
"structure_string": "Pr20 Al1 Si19 N33 Cl2 O19\n1.0\n11.712608 0.000000 0.000000\n0.000000 10.627445 0.000000\n0.000000 0.021394 11.295199\nPr Al Si N Cl O\n20 1 19 33 2 19\ndirect\n0.164817 0.003432 0.000935 Pr\n0.000000 0.897874 0.362518 Pr\n0.500000 0.869137 0.118352 Pr\n0.768665 0.860876 0.605029 Pr\n0.231335 0.860876 0.605029 Pr\n0.756685 0.645319 0.103770 Pr\n0.243315 0.645319 0.103770 Pr\n0.500000 0.624551 0.618986 Pr\n0.000000 0.611174 0.873386 Pr\n0.172758 0.498859 0.497744 Pr\n0.827242 0.498859 0.497744 Pr\n0.000000 0.364313 0.124539 Pr\n0.500000 0.359891 0.384425 Pr\n0.772355 0.353226 0.895822 Pr\n0.227645 0.353226 0.895822 Pr\n0.763183 0.141295 0.400781 Pr\n0.236817 0.141295 0.400781 Pr\n0.500000 0.126145 0.880729 Pr\n0.000000 0.139313 0.626839 Pr\n0.835183 0.003432 0.000935 Pr\n0.000000 0.780878 0.108424 Al\n0.750764 0.884408 0.257109 Si\n0.249236 0.884408 0.257109 Si\n0.364100 0.850060 0.855404 Si\n0.635900 0.850060 0.855404 Si\n0.000000 0.706605 0.610702 Si\n0.366736 0.650344 0.356252 Si\n0.633264 0.650344 0.356252 Si\n0.246643 0.616202 0.756981 Si\n0.753357 0.616202 0.756981 Si\n0.754555 0.386720 0.243395 Si\n0.245445 0.386720 0.243395 Si\n0.364018 0.348437 0.647792 Si\n0.635982 0.348437 0.647792 Si\n0.000000 0.281549 0.384887 Si\n0.000000 0.215451 0.893062 Si\n0.364977 0.152681 0.145162 Si\n0.635023 0.152681 0.145162 Si\n0.242825 0.113722 0.738747 Si\n0.757175 0.113722 0.738747 Si\n0.715036 0.976466 0.807698 N\n0.284964 0.976466 0.807698 N\n0.500000 0.899056 0.884964 N\n0.871162 0.828747 0.186366 N\n0.128838 0.828747 0.186366 N\n0.355757 0.772249 0.255556 N\n0.644243 0.772249 0.255556 N\n0.350374 0.730470 0.751568 N\n0.649626 0.730470 0.751568 N\n0.878148 0.667184 0.685131 N\n0.121852 0.667184 0.685131 N\n0.500000 0.595777 0.390829 N\n0.718248 0.527907 0.305888 N\n0.281752 0.527907 0.305888 N\n0.715857 0.476316 0.695161 N\n0.284143 0.476316 0.695161 N\n0.500000 0.398500 0.619054 N\n0.000000 0.380997 0.901863 N\n0.876924 0.337005 0.318381 N\n0.123076 0.337005 0.318381 N\n0.350722 0.274701 0.245904 N\n0.649278 0.274701 0.245904 N\n0.348574 0.229799 0.750491 N\n0.651426 0.229799 0.750491 N\n0.877369 0.167669 0.818599 N\n0.122631 0.167669 0.818599 N\n0.000000 0.153424 0.035098 N\n0.000000 0.120996 0.401471 N\n0.500000 0.103800 0.110118 N\n0.802097 0.080279 0.599350 N\n0.197903 0.080279 0.599350 N\n0.713842 0.025232 0.194615 N\n0.286158 0.025232 0.194615 N\n0.500000 0.577115 0.050785 Cl\n0.500000 0.079483 0.450727 Cl\n0.794049 0.913770 0.396068 O\n0.205951 0.913770 0.396068 O\n0.000000 0.861563 0.581158 O\n0.000000 0.849333 0.963662 O\n0.313389 0.818129 0.990851 O\n0.686611 0.818129 0.990851 O\n0.685867 0.682076 0.491859 O\n0.314133 0.682076 0.491859 O\n0.000000 0.639384 0.477515 O\n0.000000 0.613840 0.083796 O\n0.794754 0.584507 0.895865 O\n0.205246 0.584507 0.895865 O\n0.797529 0.418937 0.104804 O\n0.202471 0.418937 0.104804 O\n0.000000 0.348122 0.522819 O\n0.687278 0.323413 0.510613 O\n0.312722 0.323413 0.510613 O\n0.312647 0.185926 0.009956 O\n0.687353 0.185926 0.009956 O\n",
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{
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"created_at": "2022-09-04T14:46:29.829410Z",
"structure_string": "Sr4 Li8 Ti24 O56\n1.0\n5.642853 -8.367803 0.000000\n5.642853 8.367803 0.000000\n0.000000 0.000000 11.561442\nSr Li Ti O\n4 8 24 56\ndirect\n0.353360 0.353360 0.121059 Sr\n0.646640 0.646640 0.878941 Sr\n0.853360 0.853360 0.378941 Sr\n0.146640 0.146640 0.621059 Sr\n0.058557 0.430989 0.121671 Li\n0.441443 0.069011 0.621671 Li\n0.930989 0.558557 0.378329 Li\n0.569011 0.941443 0.878329 Li\n0.941443 0.569011 0.878329 Li\n0.558557 0.930989 0.378329 Li\n0.069011 0.441443 0.621671 Li\n0.430989 0.058557 0.121671 Li\n0.491005 0.275877 0.385052 Ti\n0.008995 0.224123 0.885052 Ti\n0.775877 0.991005 0.114948 Ti\n0.724123 0.508995 0.614948 Ti\n0.508995 0.724123 0.614948 Ti\n0.243032 0.743032 0.250000 Ti\n0.991005 0.775877 0.114948 Ti\n0.224123 0.008995 0.885052 Ti\n0.275877 0.491005 0.385052 Ti\n0.234991 0.017634 0.359559 Ti\n0.265009 0.482366 0.859559 Ti\n0.517634 0.734991 0.140441 Ti\n0.982366 0.765009 0.640441 Ti\n0.765009 0.982366 0.640441 Ti\n0.256968 0.756968 0.750000 Ti\n0.482366 0.265009 0.859559 Ti\n0.017634 0.234991 0.359559 Ti\n0.760593 0.239407 0.500000 Ti\n0.739407 0.260593 0.000000 Ti\n0.239407 0.760593 0.500000 Ti\n0.260593 0.739407 0.000000 Ti\n0.743031 0.243031 0.250000 Ti\n0.756968 0.256968 0.750000 Ti\n0.734991 0.517634 0.140441 Ti\n0.354961 0.139395 0.758923 O\n0.590112 0.590112 0.633775 O\n0.909888 0.909888 0.133775 O\n0.090112 0.090112 0.866225 O\n0.409888 0.409888 0.366225 O\n0.355407 0.139871 0.482843 O\n0.144593 0.360129 0.982843 O\n0.639871 0.855407 0.017157 O\n0.860129 0.644593 0.517157 O\n0.644593 0.860129 0.517157 O\n0.855407 0.639871 0.017157 O\n0.360129 0.144593 0.982843 O\n0.139871 0.355407 0.482843 O\n0.916390 0.916390 0.622865 O\n0.583610 0.583610 0.122865 O\n0.416390 0.416390 0.877135 O\n0.083610 0.083610 0.377135 O\n0.360605 0.145039 0.258923 O\n0.139395 0.354961 0.758923 O\n0.645039 0.860605 0.241077 O\n0.854961 0.639395 0.741077 O\n0.639395 0.854961 0.741077 O\n0.371164 0.628836 0.000000 O\n0.145039 0.360605 0.258923 O\n0.367368 0.632632 0.500000 O\n0.132632 0.867368 0.000000 O\n0.632632 0.367368 0.500000 O\n0.867368 0.132632 0.000000 O\n0.146065 0.620722 0.378232 O\n0.353935 0.879278 0.878232 O\n0.120722 0.646065 0.121768 O\n0.379278 0.853935 0.621768 O\n0.853935 0.379278 0.621768 O\n0.646065 0.120722 0.121768 O\n0.879278 0.353935 0.878232 O\n0.620722 0.146065 0.378232 O\n0.363378 0.627868 0.250000 O\n0.136622 0.872132 0.750000 O\n0.127868 0.863378 0.250000 O\n0.372132 0.636622 0.750000 O\n0.636622 0.372132 0.750000 O\n0.863378 0.127868 0.250000 O\n0.872132 0.136622 0.750000 O\n0.627868 0.363378 0.250000 O\n0.880463 0.348107 0.371861 O\n0.619537 0.151893 0.871861 O\n0.848107 0.380463 0.128139 O\n0.651893 0.119537 0.628139 O\n0.119537 0.651893 0.628139 O\n0.380463 0.848107 0.128139 O\n0.151893 0.619537 0.871861 O\n0.348107 0.880463 0.371861 O\n0.871164 0.128836 0.500000 O\n0.628836 0.371164 0.000000 O\n0.128836 0.871164 0.500000 O\n0.860605 0.645039 0.241077 O\n",
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