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"results": [
{
"id": "mp-556327",
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"structure_string": "K12 Hg6 C12 S12 Br12 N12\n1.0\n6.616253 -11.459687 0.000000\n6.616253 11.459687 0.000000\n0.000000 0.000000 11.701733\nK Hg C S Br N\n12 6 12 12 12 12\ndirect\n0.856624 0.531596 0.250000 K\n0.333333 0.666667 0.451938 K\n0.674972 0.143376 0.250000 K\n0.143376 0.468404 0.750000 K\n0.666667 0.333333 0.951938 K\n0.325028 0.856624 0.750000 K\n0.468404 0.325028 0.250000 K\n0.333333 0.666667 0.048062 K\n0.531596 0.674972 0.750000 K\n0.000000 0.000000 0.500000 K\n0.666667 0.333333 0.548062 K\n0.000000 0.000000 0.000000 K\n0.862221 0.673391 0.750000 Hg\n0.811170 0.137779 0.750000 Hg\n0.673391 0.811170 0.250000 Hg\n0.137779 0.326609 0.250000 Hg\n0.326609 0.188830 0.750000 Hg\n0.188830 0.862221 0.250000 Hg\n0.066841 0.659968 0.587107 C\n0.406872 0.066841 0.087107 C\n0.340032 0.406872 0.587107 C\n0.933159 0.340032 0.412893 C\n0.659968 0.593128 0.412893 C\n0.593128 0.933159 0.912893 C\n0.659968 0.593128 0.087107 C\n0.593128 0.933159 0.587107 C\n0.066841 0.659968 0.912893 C\n0.933159 0.340032 0.087107 C\n0.340032 0.406872 0.912893 C\n0.406872 0.066841 0.412893 C\n0.947548 0.663376 0.946708 S\n0.284172 0.947548 0.053292 S\n0.052452 0.336624 0.053292 S\n0.284172 0.947548 0.446708 S\n0.715828 0.052452 0.946708 S\n0.052452 0.336624 0.446708 S\n0.663376 0.715828 0.446708 S\n0.336624 0.284172 0.946708 S\n0.715828 0.052452 0.553292 S\n0.336624 0.284172 0.553292 S\n0.663376 0.715828 0.053292 S\n0.947548 0.663376 0.553292 S\n0.858861 0.363409 0.750000 Br\n0.180023 0.148153 0.250000 Br\n0.851847 0.031870 0.250000 Br\n0.636591 0.495452 0.750000 Br\n0.141139 0.636591 0.250000 Br\n0.968130 0.819977 0.250000 Br\n0.495452 0.858861 0.250000 Br\n0.819977 0.851847 0.750000 Br\n0.031870 0.180023 0.750000 Br\n0.363409 0.504548 0.250000 Br\n0.504548 0.141139 0.750000 Br\n0.148153 0.968130 0.750000 Br\n0.846092 0.341578 0.393826 N\n0.341578 0.495486 0.893826 N\n0.153908 0.658422 0.893826 N\n0.495486 0.153908 0.393826 N\n0.846092 0.341578 0.106174 N\n0.504514 0.846092 0.606174 N\n0.495486 0.153908 0.106174 N\n0.658422 0.504514 0.393826 N\n0.504514 0.846092 0.893826 N\n0.341578 0.495486 0.606174 N\n0.658422 0.504514 0.106174 N\n0.153908 0.658422 0.606174 N\n",
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"volume": 1774.455203505094,
"volume_molar": 16.190937890639578,
"formula_full": "K12 Hg6 C12 S12 Br12 N12",
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"energy": -342.9888805,
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"updated_at": "2021-11-28T01:35:37.428000Z",
"spacegroup": 176
},
{
"id": "mp-1210735",
"created_at": "2022-09-04T14:42:05.714904Z",
"structure_string": "Mg1 H8 C6 S2 N2 O8\n1.0\n5.121768 0.024541 0.583213\n2.182880 7.091969 0.638615\n0.220773 -0.066326 8.225368\nMg H C S N O\n1 8 6 2 2 8\ndirect\n0.000000 0.000000 0.000000 Mg\n0.260153 0.195829 0.770109 H\n0.739847 0.804171 0.229891 H\n0.512664 0.992631 0.180519 H\n0.487336 0.007369 0.819481 H\n0.238842 0.630646 0.096635 H\n0.761158 0.369354 0.903365 H\n0.461476 0.703396 0.981111 H\n0.538524 0.296604 0.018889 H\n0.480125 0.416486 0.538461 C\n0.519875 0.583514 0.461539 C\n0.108993 0.298458 0.206264 C\n0.891007 0.701542 0.793736 C\n0.137590 0.617512 0.674913 C\n0.862410 0.382488 0.325087 C\n0.727818 0.225707 0.453298 S\n0.272182 0.774293 0.546702 S\n0.264124 0.435187 0.657476 N\n0.735876 0.564813 0.342524 N\n0.280028 0.748010 0.050158 O\n0.719972 0.251990 0.949842 O\n0.286406 0.065166 0.815920 O\n0.713594 0.934834 0.184080 O\n0.246516 0.402896 0.136062 O\n0.753484 0.597104 0.863938 O\n0.164102 0.121296 0.187634 O\n0.835898 0.878704 0.812366 O\n",
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"formula_full": "Mg1 H8 C6 S2 N2 O8",
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"spacegroup": 2
},
{
"id": "mp-555080",
"created_at": "2022-09-04T14:42:06.427401Z",
"structure_string": "P4 H28 C4 N12 O12 F4\n1.0\n10.264746 0.000000 0.000000\n0.000000 6.869786 0.000000\n0.000000 2.374668 9.137903\nP H C N O F\n4 28 4 12 12 4\ndirect\n0.608746 0.154878 0.124917 P\n0.891254 0.154878 0.624917 P\n0.108746 0.845122 0.375083 P\n0.391254 0.845122 0.875083 P\n0.283238 0.246760 0.646424 H\n0.216762 0.246760 0.146424 H\n0.061190 0.461321 0.741638 H\n0.442827 0.755477 0.582378 H\n0.557173 0.244523 0.417622 H\n0.512447 0.168692 0.908358 H\n0.783238 0.753240 0.853576 H\n0.561190 0.538679 0.758362 H\n0.438810 0.461321 0.241638 H\n0.493318 0.157109 0.598176 H\n0.057173 0.755477 0.082378 H\n0.006682 0.157109 0.098176 H\n0.506682 0.842891 0.401824 H\n0.687728 0.607410 0.994278 H\n0.993318 0.842891 0.901824 H\n0.716762 0.753240 0.353576 H\n0.938810 0.538679 0.258362 H\n0.812272 0.607410 0.494278 H\n0.012447 0.831308 0.591642 H\n0.312272 0.392590 0.005722 H\n0.283058 0.541715 0.282326 H\n0.987553 0.168692 0.408358 H\n0.783058 0.458285 0.217674 H\n0.942827 0.244523 0.917622 H\n0.487553 0.831308 0.091642 H\n0.716942 0.458285 0.717674 H\n0.216942 0.541715 0.782326 H\n0.187728 0.392590 0.505722 H\n0.626331 0.662856 0.552494 C\n0.373669 0.337144 0.447506 C\n0.126331 0.337144 0.947506 C\n0.873669 0.662856 0.052494 C\n0.640868 0.558026 0.692038 N\n0.015321 0.241192 0.992490 N\n0.725146 0.670550 0.458424 N\n0.484679 0.241192 0.492490 N\n0.140868 0.441974 0.807962 N\n0.774854 0.670550 0.958424 N\n0.274854 0.329450 0.541576 N\n0.984679 0.758808 0.007510 N\n0.225146 0.329450 0.041576 N\n0.359132 0.441974 0.307962 N\n0.859132 0.558026 0.192038 N\n0.515321 0.758808 0.507510 N\n0.623906 0.305806 0.214627 O\n0.123906 0.694194 0.285373 O\n0.376094 0.694194 0.785373 O\n0.046126 0.739406 0.527974 O\n0.045573 0.046620 0.306500 O\n0.954427 0.953380 0.693500 O\n0.545573 0.953380 0.193500 O\n0.453874 0.739406 0.027974 O\n0.876094 0.305806 0.714627 O\n0.546126 0.260594 0.972026 O\n0.953874 0.260594 0.472026 O\n0.454427 0.046620 0.806500 O\n0.752946 0.101278 0.080878 F\n0.252946 0.898722 0.419122 F\n0.747054 0.101278 0.580878 F\n0.247054 0.898722 0.919122 F\n",
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"elements": [
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"formula_full": "P4 H28 C4 N12 O12 F4",
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"spacegroup": 14
},
{
"id": "mp-1203624",
"created_at": "2022-09-04T14:44:16.633660Z",
"structure_string": "Si4 B2 As2 H58 C18 N2\n1.0\n7.803896 5.483308 0.000000\n-7.803896 5.483308 0.000000\n0.000000 0.000000 11.821124\nSi B As H C N\n4 2 2 58 18 2\ndirect\n0.974248 0.214096 0.272088 Si\n0.214096 0.974248 0.272088 Si\n0.025752 0.785904 0.772088 Si\n0.785904 0.025752 0.772088 Si\n0.352205 0.352205 0.356256 B\n0.647795 0.647795 0.856256 B\n0.158799 0.158799 0.380895 As\n0.841201 0.841201 0.880895 As\n0.320182 0.450859 0.309269 H\n0.450859 0.320182 0.309269 H\n0.679818 0.549141 0.809269 H\n0.549141 0.679818 0.809269 H\n0.822356 0.371564 0.314241 H\n0.371564 0.822356 0.314241 H\n0.177644 0.628436 0.814241 H\n0.628436 0.177644 0.814241 H\n0.866290 0.294994 0.441863 H\n0.294994 0.866290 0.441863 H\n0.133710 0.705006 0.941863 H\n0.705006 0.133710 0.941863 H\n0.001460 0.452031 0.377282 H\n0.452031 0.001460 0.377282 H\n0.998540 0.547969 0.877282 H\n0.547969 0.998540 0.877282 H\n0.762395 0.981354 0.325585 H\n0.981354 0.762395 0.325585 H\n0.237605 0.018646 0.825585 H\n0.018646 0.237605 0.825585 H\n0.713500 0.084592 0.216351 H\n0.084592 0.713500 0.216351 H\n0.286500 0.915408 0.716351 H\n0.915408 0.286500 0.716351 H\n0.821537 0.970790 0.183248 H\n0.970790 0.821537 0.183248 H\n0.178463 0.029210 0.683248 H\n0.029210 0.178463 0.683248 H\n0.049348 0.221602 0.069037 H\n0.221602 0.049348 0.069037 H\n0.950652 0.778398 0.569037 H\n0.778398 0.950652 0.569037 H\n0.940348 0.337195 0.092878 H\n0.337195 0.940348 0.092878 H\n0.059652 0.662805 0.592878 H\n0.662805 0.059652 0.592878 H\n0.131357 0.400704 0.132907 H\n0.400704 0.131357 0.132907 H\n0.868643 0.599296 0.632907 H\n0.599296 0.868643 0.632907 H\n0.611001 0.611001 0.530859 H\n0.388999 0.388999 0.030859 H\n0.639884 0.525382 0.401658 H\n0.525382 0.639884 0.401658 H\n0.360116 0.474618 0.901658 H\n0.474618 0.360116 0.901658 H\n0.530427 0.382804 0.624398 H\n0.382804 0.530427 0.624398 H\n0.469573 0.617196 0.124398 H\n0.617196 0.469573 0.124398 H\n0.384662 0.224015 0.568504 H\n0.224015 0.384662 0.568504 H\n0.615338 0.775985 0.068504 H\n0.775985 0.615338 0.068504 H\n0.561680 0.292019 0.498493 H\n0.292019 0.561680 0.498493 H\n0.438320 0.707981 0.998493 H\n0.707981 0.438320 0.998493 H\n0.911288 0.346477 0.360444 C\n0.346477 0.911288 0.360444 C\n0.088712 0.653523 0.860444 C\n0.653523 0.088712 0.860444 C\n0.802537 0.045212 0.247781 C\n0.045212 0.802537 0.247781 C\n0.197463 0.954788 0.747781 C\n0.954788 0.197463 0.747781 C\n0.030153 0.302025 0.128331 C\n0.302025 0.030153 0.128331 C\n0.969847 0.697975 0.628331 C\n0.697975 0.969847 0.628331 C\n0.559828 0.559828 0.450751 C\n0.440172 0.440172 0.950751 C\n0.479106 0.324070 0.547071 C\n0.324070 0.479106 0.547071 C\n0.520894 0.675930 0.047071 C\n0.675930 0.520894 0.047071 C\n0.426552 0.426552 0.476878 N\n0.573448 0.573448 0.976878 N\n",
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"formula_full": "Si4 B2 As2 H58 C18 N2",
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},
{
"id": "mp-1198838",
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"structure_string": "Cu4 H36 C12 N4 Cl8 O8\n1.0\n12.711160 0.000000 0.000000\n0.000000 7.257533 0.000000\n0.000000 0.823608 9.716959\nCu H C N Cl O\n4 36 12 4 8 8\ndirect\n0.306221 0.635054 0.361350 Cu\n0.806221 0.864946 0.638650 Cu\n0.693779 0.364946 0.638650 Cu\n0.193779 0.135054 0.361350 Cu\n0.379736 0.883365 0.502696 H\n0.879736 0.616635 0.497304 H\n0.620264 0.116635 0.497304 H\n0.120264 0.383365 0.502696 H\n0.474596 0.756310 0.463692 H\n0.974596 0.743690 0.536308 H\n0.525404 0.243690 0.536308 H\n0.025404 0.256310 0.463692 H\n0.500906 0.135608 0.117281 H\n0.000906 0.364392 0.882719 H\n0.499094 0.864392 0.882719 H\n0.999094 0.635608 0.117281 H\n0.605851 0.231333 0.010297 H\n0.105851 0.268667 0.989703 H\n0.394149 0.768667 0.989703 H\n0.894149 0.731333 0.010297 H\n0.631959 0.142029 0.183413 H\n0.131959 0.357971 0.816587 H\n0.368041 0.857971 0.816587 H\n0.868041 0.642029 0.183413 H\n0.610638 0.664245 0.177898 H\n0.110638 0.835755 0.822102 H\n0.389362 0.335755 0.822102 H\n0.889362 0.164245 0.177898 H\n0.696706 0.483153 0.242978 H\n0.196706 0.016847 0.757022 H\n0.303294 0.516847 0.757022 H\n0.803294 0.983153 0.242978 H\n0.679908 0.528374 0.060363 H\n0.179908 0.971626 0.939637 H\n0.320092 0.471626 0.939637 H\n0.820092 0.028374 0.060363 H\n0.402307 0.322652 0.218754 H\n0.902307 0.177348 0.781246 H\n0.597693 0.677348 0.781246 H\n0.097693 0.822652 0.218754 H\n0.574086 0.215645 0.115333 C\n0.074086 0.284355 0.884667 C\n0.425914 0.784355 0.884667 C\n0.925914 0.715645 0.115333 C\n0.640579 0.526746 0.160671 C\n0.140579 0.973254 0.839329 C\n0.359421 0.473254 0.839329 C\n0.859421 0.026746 0.160671 C\n0.461753 0.432571 0.219931 C\n0.961753 0.067429 0.780069 C\n0.538247 0.567429 0.780069 C\n0.038247 0.932571 0.219931 C\n0.553269 0.396821 0.163085 N\n0.053269 0.103179 0.836915 N\n0.446731 0.603179 0.836915 N\n0.946731 0.896821 0.163085 N\n0.169580 0.664267 0.510027 Cl\n0.669580 0.835733 0.489973 Cl\n0.830420 0.335733 0.489973 Cl\n0.330420 0.164267 0.510027 Cl\n0.209736 0.490105 0.211162 Cl\n0.709736 0.009895 0.788838 Cl\n0.790264 0.509895 0.788838 Cl\n0.290264 0.990105 0.211162 Cl\n0.442644 0.584052 0.271433 O\n0.942644 0.915948 0.728567 O\n0.557356 0.415948 0.728567 O\n0.057356 0.084052 0.271433 O\n0.401776 0.752165 0.497502 O\n0.901776 0.747835 0.502498 O\n0.598224 0.247835 0.502498 O\n0.098224 0.252165 0.497502 O\n",
"nsites": 72,
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"formula_full": "Cu4 H36 C12 N4 Cl8 O8",
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},
{
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H\n0.859447 0.497483 0.571503 H\n0.640553 0.502517 0.071503 H\n0.745379 0.664447 0.421065 H\n0.754621 0.335553 0.921064 H\n0.245379 0.835553 0.578936 H\n0.254621 0.164447 0.078936 H\n0.785959 0.727451 0.341721 H\n0.714041 0.272549 0.841721 H\n0.285959 0.772549 0.658279 H\n0.214041 0.227451 0.158279 H\n0.629368 0.751143 0.404653 H\n0.870632 0.248857 0.904653 H\n0.129368 0.748857 0.595347 H\n0.370632 0.251143 0.095347 H\n0.868951 0.888622 0.913054 H\n0.631049 0.111378 0.413054 H\n0.368951 0.611378 0.086946 H\n0.131049 0.388622 0.586946 H\n0.758369 0.840628 0.986565 H\n0.741631 0.159372 0.486565 H\n0.258369 0.659372 0.013435 H\n0.241631 0.340628 0.513435 H\n0.809943 0.787632 0.902044 H\n0.690057 0.212368 0.402044 H\n0.309943 0.712368 0.097956 H\n0.190057 0.287632 0.597956 H\n0.287534 0.503904 0.409579 C\n0.212466 0.496096 0.909579 C\n0.787534 0.996096 0.590421 C\n0.712466 0.003904 0.090421 C\n0.246134 0.978343 0.412574 C\n0.253866 0.021657 0.912574 C\n0.746134 0.521657 0.587426 C\n0.753866 0.478343 0.087426 C\n0.746790 0.726291 0.401301 C\n0.753210 0.273709 0.901301 C\n0.246790 0.773709 0.598699 C\n0.253210 0.226291 0.098699 C\n0.848984 0.832434 0.943295 C\n0.651016 0.167566 0.443295 C\n0.348984 0.667566 0.056705 C\n0.151016 0.332434 0.556705 C\n0.168172 0.541445 0.458892 N\n0.331828 0.458555 0.958892 N\n0.668172 0.958555 0.541108 N\n0.831828 0.041445 0.041108 N\n0.122483 0.017602 0.458479 N\n0.377517 0.982398 0.958479 N\n0.622483 0.482398 0.541521 N\n0.877517 0.517602 0.041521 N\n0.855173 0.773636 0.449490 N\n0.644827 0.226364 0.949490 N\n0.355173 0.726364 0.550510 N\n0.144827 0.273636 0.050510 N\n0.994358 0.804996 0.980771 N\n0.505642 0.195004 0.480771 N\n0.494358 0.695004 0.019229 N\n0.005642 0.304996 0.519229 N\n0.495725 0.856573 0.233909 N\n0.004275 0.143427 0.733909 N\n0.995725 0.643427 0.766091 N\n0.504275 0.356573 0.266091 N\n0.526815 0.603195 0.266874 N\n0.973185 0.396805 0.766874 N\n0.026815 0.896805 0.733126 N\n0.473185 0.103195 0.233126 N\n0.946303 0.782795 0.164488 O\n0.553697 0.217205 0.664488 O\n0.446303 0.717205 0.835512 O\n0.053697 0.282795 0.335512 O\n0.848473 0.649757 0.211384 O\n0.651527 0.350243 0.711384 O\n0.348473 0.850243 0.788616 O\n0.151527 0.149757 0.288616 O\n0.662387 0.740759 0.145365 O\n0.837613 0.259241 0.645365 O\n0.162387 0.759241 0.854635 O\n0.337613 0.240759 0.354635 O\n0.884762 0.678198 0.068214 O\n0.615238 0.321802 0.568214 O\n0.384762 0.821802 0.931786 O\n0.115238 0.178198 0.431786 O\n0.103072 0.797756 0.314301 O\n0.396928 0.202244 0.814301 O\n0.603072 0.702244 0.685699 O\n0.896928 0.297756 0.185699 O\n0.853962 0.895526 0.272816 O\n0.646038 0.104474 0.772816 O\n0.353962 0.604474 0.727184 O\n0.146038 0.395526 0.227184 O\n0.919754 0.034551 0.317432 O\n0.580246 0.965449 0.817432 O\n0.419754 0.465449 0.682568 O\n0.080246 0.534551 0.182568 O\n0.637956 0.984870 0.313020 O\n0.862044 0.015130 0.813020 O\n0.137956 0.515130 0.686980 O\n0.362044 0.484870 0.186980 O\n0.836385 0.934960 0.413056 O\n0.663615 0.065040 0.913056 O\n0.336385 0.565040 0.586944 O\n0.163615 0.434960 0.086944 O\n0.161531 0.906523 0.196971 O\n0.338469 0.093477 0.696971 O\n0.661532 0.593477 0.803029 O\n0.838468 0.406523 0.303029 O\n0.074421 0.046444 0.168235 O\n0.425579 0.953556 0.668235 O\n0.574421 0.453556 0.831765 O\n0.925579 0.546444 0.331765 O\n0.083417 0.947499 0.061097 O\n0.416583 0.052501 0.561097 O\n0.583417 0.552501 0.938903 O\n0.916583 0.447499 0.438903 O\n0.336892 0.997227 0.122209 O\n0.163108 0.002773 0.622209 O\n0.836892 0.502773 0.877791 O\n0.663108 0.497227 0.377791 O\n0.156717 0.653117 0.288407 O\n0.343283 0.346883 0.788407 O\n0.656717 0.846883 0.711593 O\n0.843283 0.153117 0.211593 O\n0.376347 0.739371 0.329884 O\n0.123653 0.260629 0.829884 O\n0.876347 0.760629 0.670116 O\n0.623653 0.239371 0.170116 O\n0.156701 0.707696 0.424720 O\n0.343299 0.292304 0.924720 O\n0.656701 0.792304 0.575280 O\n0.843299 0.207696 0.075280 O\n",
"nsites": 256,
"nelements": 6,
"elements": [
"Al",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "Al-C-H-N-O-P",
"density": 1.5699222606788716,
"density_atomic": 0.10115167206589575,
"volume": 2530.8528744164264,
"volume_molar": 5.953575098666533,
"formula_full": "Al8 P16 H128 C16 N24 O64",
"formula_reduced": "AlP2H16C2N3O8",
"formula_anonymous": "AB2C2D3E8F16",
"energy": -1544.32624196,
"energy_per_atom": -6.03252438265625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1491.69424196,
"band_gap": 4.8646,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 2.74e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:01.161000Z",
"spacegroup": 19
},
{
"id": "mp-1234634",
"created_at": "2022-09-04T14:42:18.436360Z",
"structure_string": "Mg1 Al2 H4 Pb2 O4 F6\n1.0\n6.004094 -0.528658 -1.533006\n-2.398970 7.315005 0.009150\n0.356480 0.151629 5.302570\nMg Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.500000 0.500000 0.000000 Mg\n0.186875 0.660857 0.177868 Al\n0.813125 0.339143 0.822132 Al\n0.173523 0.548435 0.708729 H\n0.826477 0.451565 0.291271 H\n0.261175 0.900686 0.873457 H\n0.738825 0.099314 0.126543 H\n0.803032 0.877176 0.662672 Pb\n0.196968 0.122824 0.337328 Pb\n0.154515 0.487069 0.871509 O\n0.845485 0.512931 0.128491 O\n0.146237 0.852412 0.985184 O\n0.853763 0.147588 0.014816 O\n0.244194 0.799196 0.469571 F\n0.755806 0.200804 0.530430 F\n0.228086 0.476011 0.372509 F\n0.771914 0.523989 0.627491 F\n0.511522 0.735512 0.166771 F\n0.488478 0.264488 0.833229 F\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Mg",
"Al",
"H",
"Pb",
"O",
"F"
],
"chemical_system": "Al-F-H-Mg-O-Pb",
"density": 4.8560985088718684,
"density_atomic": 0.08235483438059611,
"volume": 230.70898196690018,
"volume_molar": 7.312431389478813,
"formula_full": "Mg1 Al2 H4 Pb2 O4 F6",
"formula_reduced": "MgAl2H4Pb2(O2F3)2",
"formula_anonymous": "AB2C2D4E4F6",
"energy": -107.22206285,
"energy_per_atom": -5.643266465789473,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -101.70206285,
"band_gap": 1.0779000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.777000Z",
"spacegroup": 2
}
]
}