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{
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"results": [
{
"id": "mp-766686",
"created_at": "2022-09-04T14:42:55.816253Z",
"structure_string": "Li12 Mn4 P4 C4 O28\n1.0\n6.483113 0.000000 0.000000\n0.000000 8.603498 0.000000\n0.000000 0.787409 9.815071\nLi Mn P C O\n12 4 4 4 28\ndirect\n0.749378 0.897111 0.613492 Li\n0.750622 0.897111 0.113492 Li\n0.988267 0.713627 0.882556 Li\n0.511733 0.713627 0.382556 Li\n0.255275 0.646741 0.610385 Li\n0.244725 0.646741 0.110385 Li\n0.755275 0.353259 0.889615 Li\n0.744725 0.353259 0.389615 Li\n0.488267 0.286373 0.617444 Li\n0.011733 0.286373 0.117444 Li\n0.249378 0.102889 0.886508 Li\n0.250622 0.102889 0.386508 Li\n0.501886 0.731651 0.870698 Mn\n0.998114 0.731651 0.370698 Mn\n0.001886 0.268349 0.629302 Mn\n0.498114 0.268349 0.129302 Mn\n0.748118 0.592873 0.639938 P\n0.751882 0.592873 0.139938 P\n0.248118 0.407127 0.860062 P\n0.251882 0.407127 0.360062 P\n0.252157 0.957886 0.647950 C\n0.247843 0.957886 0.147950 C\n0.752157 0.042114 0.852050 C\n0.747843 0.042114 0.352050 C\n0.239574 0.930134 0.522217 O\n0.750298 0.896557 0.817147 O\n0.260426 0.930134 0.022217 O\n0.264728 0.846397 0.744263 O\n0.749702 0.896557 0.317147 O\n0.235272 0.846397 0.244263 O\n0.941412 0.687350 0.586703 O\n0.561032 0.693154 0.589340 O\n0.938968 0.693154 0.089340 O\n0.558588 0.687350 0.086703 O\n0.244560 0.573670 0.910018 O\n0.749444 0.577758 0.799520 O\n0.255440 0.573670 0.410018 O\n0.750556 0.577758 0.299520 O\n0.249444 0.422242 0.700480 O\n0.744560 0.426330 0.589982 O\n0.250556 0.422242 0.200480 O\n0.755440 0.426330 0.089982 O\n0.061032 0.306846 0.910660 O\n0.441412 0.312650 0.913297 O\n0.438968 0.306846 0.410660 O\n0.058588 0.312650 0.413297 O\n0.764728 0.153603 0.755737 O\n0.250298 0.103443 0.682853 O\n0.735272 0.153603 0.255737 O\n0.739574 0.069866 0.977783 O\n0.249702 0.103443 0.182853 O\n0.760426 0.069866 0.477783 O\n",
"nsites": 52,
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"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.799512030120132,
"density_atomic": 0.09498417274580057,
"volume": 547.459629291755,
"volume_molar": 6.340151823100708,
"formula_full": "Li12 Mn4 P4 C4 O28",
"formula_reduced": "Li3MnPCO7",
"formula_anonymous": "ABCD3E7",
"energy": -381.755347,
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"updated_at": "2021-11-28T01:36:09.704000Z",
"spacegroup": 14
},
{
"id": "mp-28275",
"created_at": "2022-09-04T14:42:55.826468Z",
"structure_string": "Rb8 Pr4 Cl20\n1.0\n8.391860 0.000000 0.000000\n0.000000 9.022791 0.000000\n0.000000 0.000000 13.472059\nRb Pr Cl\n8 4 20\ndirect\n0.442324 0.506189 0.670820 Rb\n0.942324 0.493811 0.829180 Rb\n0.557676 0.006189 0.329180 Rb\n0.057676 0.993811 0.170820 Rb\n0.942324 0.006189 0.829180 Rb\n0.442324 0.993811 0.670820 Rb\n0.057676 0.506189 0.170820 Rb\n0.557676 0.493811 0.329180 Rb\n0.928547 0.750000 0.504913 Pr\n0.428547 0.250000 0.995087 Pr\n0.071453 0.250000 0.495087 Pr\n0.571453 0.750000 0.004913 Pr\n0.338096 0.957813 0.929196 Cl\n0.838096 0.042187 0.570804 Cl\n0.661904 0.457813 0.070804 Cl\n0.161904 0.542187 0.429196 Cl\n0.661904 0.042187 0.070804 Cl\n0.161904 0.957813 0.429196 Cl\n0.338096 0.542187 0.929196 Cl\n0.838096 0.457813 0.570804 Cl\n0.385034 0.750000 0.177117 Cl\n0.885034 0.250000 0.322883 Cl\n0.614966 0.250000 0.822883 Cl\n0.114966 0.750000 0.677117 Cl\n0.093162 0.250000 0.989624 Cl\n0.593162 0.750000 0.510376 Cl\n0.906838 0.750000 0.010376 Cl\n0.406838 0.250000 0.489624 Cl\n0.652424 0.750000 0.802951 Cl\n0.152424 0.250000 0.697049 Cl\n0.347576 0.250000 0.197049 Cl\n0.847576 0.750000 0.302951 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Rb",
"Pr",
"Cl"
],
"chemical_system": "Cl-Pr-Rb",
"density": 3.184791264241457,
"density_atomic": 0.031370170167619706,
"volume": 1020.0773482902686,
"volume_molar": 19.197029304661072,
"formula_full": "Rb8 Pr4 Cl20",
"formula_reduced": "Rb2PrCl5",
"formula_anonymous": "AB2C5",
"energy": -145.73185202,
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"updated_at": "2021-11-28T01:36:08.149000Z",
"spacegroup": 62
},
{
"id": "mp-1187026",
"created_at": "2022-09-04T14:42:56.208486Z",
"structure_string": "Sm1 Y1 Hg2\n1.0\n0.000000 3.771884 3.771884\n3.771884 0.000000 3.771884\n3.771884 3.771884 0.000000\nSm Y Hg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sm\n0.000000 0.000000 0.000000 Y\n0.250000 0.250000 0.250000 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 4,
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"elements": [
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"Y",
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],
"chemical_system": "Hg-Sm-Y",
"density": 9.90892482290291,
"density_atomic": 0.03726962401858086,
"volume": 107.32600892366906,
"volume_molar": 16.15830832368378,
"formula_full": "Sm1 Y1 Hg2",
"formula_reduced": "SmYHg2",
"formula_anonymous": "ABC2",
"energy": -13.7384722,
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"updated_at": "2021-11-28T01:35:55.897000Z",
"spacegroup": 225
},
{
"id": "mp-1192918",
"created_at": "2022-09-04T14:42:55.837096Z",
"structure_string": "Na4 Si2 O16\n1.0\n-5.042235 0.000000 0.000000\n1.784951 6.891114 0.000000\n-0.130860 -1.915967 -8.920723\nNa Si O\n4 2 16\ndirect\n0.396784 0.827685 0.091404 Na\n0.603216 0.172315 0.908596 Na\n0.748308 0.586018 0.400840 Na\n0.251692 0.413982 0.599160 Na\n0.179664 0.266539 0.217299 Si\n0.820336 0.733461 0.782701 Si\n0.974217 0.329046 0.086617 O\n0.025783 0.670954 0.913383 O\n0.910067 0.106706 0.305511 O\n0.089933 0.893294 0.694489 O\n0.341502 0.135780 0.110902 O\n0.658498 0.864220 0.889098 O\n0.279102 0.452539 0.350266 O\n0.720898 0.547461 0.649734 O\n0.183096 0.889304 0.377679 O\n0.816904 0.110696 0.622321 O\n0.278277 0.069386 0.428595 O\n0.721723 0.930614 0.571405 O\n0.824244 0.459246 0.142847 O\n0.175756 0.540754 0.857153 O\n0.861367 0.910758 0.257576 O\n0.138633 0.089242 0.742424 O\n",
"nsites": 22,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Na-O-Si",
"density": 2.1649475696799567,
"density_atomic": 0.07097576945398586,
"volume": 309.96493830563924,
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"formula_full": "Na4 Si2 O16",
"formula_reduced": "Na2SiO8",
"formula_anonymous": "AB2C8",
"energy": -119.88460532,
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"updated_at": "2021-11-28T01:36:10.472000Z",
"spacegroup": 2
},
{
"id": "mp-1215066",
"created_at": "2022-09-04T14:42:55.840998Z",
"structure_string": "Cd10 H36 C16 N40 Cl8 O4\n1.0\n10.420484 0.000000 0.000000\n0.000000 9.278190 0.000000\n0.000000 1.171599 14.313789\nCd H C N Cl O\n10 36 16 40 8 4\ndirect\n0.542885 0.973332 0.120183 Cd\n0.457115 0.026668 0.879817 Cd\n0.042885 0.026668 0.379817 Cd\n0.957115 0.973332 0.620183 Cd\n0.000000 0.500000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.676429 0.312575 0.013751 Cd\n0.323571 0.687425 0.986249 Cd\n0.176429 0.687425 0.486249 Cd\n0.823571 0.312575 0.513751 Cd\n0.296999 0.969722 0.040595 H\n0.703001 0.030278 0.959405 H\n0.796999 0.030278 0.459405 H\n0.203001 0.969722 0.540595 H\n0.450343 0.658931 0.167392 H\n0.549657 0.341069 0.832608 H\n0.950343 0.341069 0.332608 H\n0.049657 0.658931 0.667392 H\n0.255338 0.993027 0.208321 H\n0.744662 0.006973 0.791679 H\n0.755338 0.006973 0.291679 H\n0.244662 0.993027 0.708321 H\n0.164373 0.850619 0.244115 H\n0.835627 0.149381 0.755885 H\n0.664373 0.149381 0.255885 H\n0.335627 0.850619 0.744115 H\n0.861822 0.950135 0.092196 H\n0.138178 0.049865 0.907804 H\n0.361822 0.049865 0.407804 H\n0.638178 0.950135 0.592196 H\n0.703978 0.776146 0.264023 H\n0.296022 0.223854 0.735977 H\n0.203978 0.223854 0.235977 H\n0.796022 0.776146 0.764023 H\n0.969722 0.503873 0.373306 H\n0.030278 0.496127 0.626694 H\n0.469722 0.496127 0.126694 H\n0.530278 0.503873 0.873306 H\n0.703931 0.695969 0.372910 H\n0.296069 0.304031 0.627090 H\n0.203931 0.304031 0.127090 H\n0.796069 0.695969 0.872910 H\n0.967463 0.831869 0.049030 H\n0.032537 0.168131 0.950970 H\n0.467463 0.168131 0.450970 H\n0.532537 0.831869 0.549030 H\n0.613662 0.636494 0.093688 C\n0.386338 0.363506 0.906312 C\n0.113662 0.363506 0.406312 C\n0.886338 0.636494 0.593688 C\n0.341208 0.849809 0.301993 C\n0.658792 0.150191 0.698007 C\n0.841208 0.150191 0.198007 C\n0.158792 0.849809 0.801993 C\n0.787985 0.752925 0.067556 C\n0.212015 0.247075 0.932444 C\n0.287985 0.247075 0.432444 C\n0.712015 0.752925 0.567556 C\n0.533804 0.781987 0.330725 C\n0.466196 0.218013 0.669275 C\n0.033804 0.218013 0.169275 C\n0.966196 0.781987 0.830725 C\n0.874195 0.864384 0.053682 N\n0.125805 0.135616 0.946318 N\n0.374195 0.135616 0.446318 N\n0.625805 0.864384 0.553682 N\n0.961288 0.286259 0.102861 N\n0.038712 0.713741 0.897139 N\n0.461288 0.713741 0.397139 N\n0.538712 0.286259 0.602861 N\n0.665942 0.776924 0.329185 N\n0.334058 0.223076 0.670815 N\n0.165942 0.223076 0.170815 N\n0.834058 0.776924 0.829185 N\n0.232923 0.921446 0.263784 N\n0.767077 0.078554 0.736216 N\n0.732923 0.078554 0.236216 N\n0.267077 0.921446 0.763784 N\n0.484577 0.605405 0.113177 N\n0.515423 0.394595 0.886823 N\n0.984577 0.394595 0.386823 N\n0.015423 0.605405 0.613177 N\n0.694391 0.544067 0.060067 N\n0.305609 0.455933 0.939933 N\n0.194391 0.455933 0.439933 N\n0.805609 0.544067 0.560067 N\n0.836601 0.238660 0.120603 N\n0.163399 0.761340 0.879397 N\n0.336601 0.761340 0.379397 N\n0.663399 0.238660 0.620603 N\n0.463085 0.867549 0.267508 N\n0.536915 0.132451 0.732492 N\n0.963085 0.132451 0.232492 N\n0.036915 0.867549 0.767508 N\n0.809210 0.618917 0.043180 N\n0.190790 0.381083 0.956820 N\n0.309210 0.381083 0.456820 N\n0.690790 0.618917 0.543180 N\n0.666339 0.769457 0.101122 N\n0.333661 0.230543 0.898878 N\n0.166339 0.230543 0.398878 N\n0.833661 0.769457 0.601122 N\n0.652187 0.361779 0.379031 Cl\n0.347813 0.638221 0.620969 Cl\n0.152187 0.638221 0.120969 Cl\n0.847813 0.361779 0.879031 Cl\n0.978534 0.758587 0.361355 Cl\n0.021466 0.241413 0.638645 Cl\n0.478534 0.241413 0.138645 Cl\n0.521466 0.758587 0.861355 Cl\n0.374230 0.918497 0.023410 O\n0.625770 0.081503 0.976590 O\n0.874230 0.081503 0.476590 O\n0.125770 0.918497 0.523410 O\n",
"nsites": 114,
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"elements": [
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],
"chemical_system": "C-Cd-Cl-H-N-O",
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"formula_full": "Cd10 H36 C16 N40 Cl8 O4",
"formula_reduced": "Cd5H18C8N20(Cl2O)2",
"formula_anonymous": "A2B4C5D8E18F20",
"energy": -683.5087493000001,
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"spacegroup": 14
},
{
"id": "mp-1180900",
"created_at": "2022-09-04T14:42:55.875172Z",
"structure_string": "K1 Cu3 Pb1 Se4\n1.0\n6.399158 0.000000 0.000000\n0.000000 6.399158 0.000000\n0.000000 0.000000 6.399158\nK Cu Pb Se\n1 3 1 4\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.000000 0.000000 0.000000 Pb\n0.231600 0.231600 0.231600 Se\n0.768400 0.768400 0.231600 Se\n0.231600 0.768400 0.768400 Se\n0.768400 0.231600 0.768400 Se\n",
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],
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"formula_full": "K1 Cu3 Pb1 Se4",
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{
"id": "mp-3872",
"created_at": "2022-09-04T14:42:55.882377Z",
"structure_string": "Mg4 Al8 S16\n1.0\n5.951957 0.000000 0.000000\n0.000000 7.273082 0.000000\n0.000000 0.000000 12.644641\nMg Al S\n4 8 16\ndirect\n0.001808 0.750000 0.265174 Mg\n0.501808 0.250000 0.234826 Mg\n0.998192 0.250000 0.734826 Mg\n0.498192 0.750000 0.765174 Mg\n0.590736 0.750000 0.084783 Al\n0.090736 0.250000 0.415217 Al\n0.409264 0.250000 0.915217 Al\n0.909264 0.750000 0.584783 Al\n0.000000 0.000000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.500000 0.000000 Al\n0.500000 0.500000 0.500000 Al\n0.212920 0.750000 0.084265 S\n0.712920 0.250000 0.415735 S\n0.787080 0.250000 0.915735 S\n0.287080 0.750000 0.584265 S\n0.728406 0.750000 0.426131 S\n0.228406 0.250000 0.073869 S\n0.271594 0.250000 0.573869 S\n0.771594 0.750000 0.926131 S\n0.761176 0.995157 0.157915 S\n0.261176 0.004843 0.342085 S\n0.238824 0.495157 0.842085 S\n0.738824 0.504843 0.657915 S\n0.238824 0.004843 0.842085 S\n0.738824 0.995157 0.657915 S\n0.761176 0.504843 0.157915 S\n0.261176 0.495157 0.342085 S\n",
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},
{
"id": "mp-1185845",
"created_at": "2022-09-04T14:42:55.962112Z",
"structure_string": "Mg3 As3\n1.0\n3.711297 -3.489584 0.000000\n3.711297 3.489584 0.000000\n0.430182 0.000000 5.076009\nMg As\n3 3\ndirect\n0.134030 0.865970 0.500000 Mg\n0.500000 0.134030 0.865970 Mg\n0.865970 0.500000 0.134030 Mg\n0.000000 0.000000 0.000000 As\n0.364309 0.364309 0.364309 As\n0.635691 0.635691 0.635691 As\n",
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