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"results": [
{
"id": "mp-1202301",
"created_at": "2022-09-04T14:40:07.413009Z",
"structure_string": "P4 H72 Pt4 C24 S12 Cl4 F24\n1.0\n25.112824 0.000000 0.000000\n0.000000 8.747135 0.000000\n0.000000 2.113189 8.564123\nP H Pt C S Cl F\n4 72 4 24 12 4 24\ndirect\n0.337890 0.985719 0.024295 P\n0.837890 0.514281 0.975705 P\n0.662110 0.014281 0.975705 P\n0.162110 0.485719 0.024295 P\n0.489420 0.046186 0.659241 H\n0.989420 0.453814 0.340759 H\n0.510580 0.953814 0.340759 H\n0.010580 0.546186 0.659241 H\n0.527707 0.064689 0.825985 H\n0.027707 0.435311 0.174015 H\n0.472293 0.935311 0.174015 H\n0.972293 0.564689 0.825985 H\n0.455582 0.058081 0.836320 H\n0.955582 0.441919 0.163680 H\n0.544418 0.941919 0.163680 H\n0.044418 0.558081 0.836320 H\n0.502813 0.490968 0.845896 H\n0.002813 0.009032 0.154104 H\n0.497187 0.509032 0.154104 H\n0.997187 0.990968 0.845896 H\n0.463758 0.324606 0.949001 H\n0.963758 0.175394 0.050999 H\n0.536242 0.675394 0.050999 H\n0.036242 0.824606 0.949001 H\n0.534693 0.305897 0.927278 H\n0.034693 0.194103 0.072722 H\n0.465307 0.694103 0.072722 H\n0.965307 0.805897 0.927278 H\n0.362742 0.588616 0.177948 H\n0.862742 0.911384 0.822052 H\n0.637258 0.411384 0.822052 H\n0.137258 0.088616 0.177948 H\n0.369879 0.380392 0.188262 H\n0.869879 0.119608 0.811738 H\n0.630121 0.619608 0.811738 H\n0.130121 0.880392 0.188262 H\n0.304975 0.472685 0.162200 H\n0.804975 0.027315 0.837800 H\n0.695025 0.527315 0.837800 H\n0.195025 0.972685 0.162200 H\n0.421896 0.781611 0.558895 H\n0.921896 0.718389 0.441105 H\n0.578104 0.218389 0.441105 H\n0.078104 0.281611 0.558895 H\n0.354813 0.750026 0.502672 H\n0.854813 0.749974 0.497328 H\n0.645187 0.249974 0.497328 H\n0.145187 0.250026 0.502672 H\n0.367214 0.813828 0.679489 H\n0.867214 0.686172 0.320511 H\n0.632786 0.186172 0.320511 H\n0.132786 0.313828 0.679489 H\n0.316060 0.392566 0.856462 H\n0.816060 0.107434 0.143538 H\n0.683940 0.607434 0.143538 H\n0.183940 0.892566 0.856462 H\n0.308961 0.600102 0.843808 H\n0.808961 0.899898 0.156192 H\n0.691039 0.399898 0.156192 H\n0.191039 0.100102 0.843808 H\n0.292954 0.522732 0.678397 H\n0.792954 0.977268 0.321603 H\n0.707046 0.477268 0.321603 H\n0.207046 0.022732 0.678397 H\n0.291124 0.201952 0.573945 H\n0.791124 0.298048 0.426055 H\n0.708876 0.798048 0.426055 H\n0.208876 0.701952 0.573945 H\n0.265392 0.262620 0.376160 H\n0.765392 0.237380 0.623840 H\n0.734608 0.737380 0.623840 H\n0.234608 0.762620 0.376160 H\n0.328015 0.160326 0.413517 H\n0.828015 0.339674 0.586483 H\n0.671985 0.839674 0.586483 H\n0.171985 0.660326 0.413517 H\n0.412287 0.382058 0.560532 Pt\n0.912287 0.117942 0.439468 Pt\n0.587713 0.617942 0.439468 Pt\n0.087713 0.882058 0.560532 Pt\n0.490200 0.096174 0.761675 C\n0.990200 0.403826 0.238325 C\n0.509800 0.903826 0.238325 C\n0.009800 0.596174 0.761675 C\n0.498174 0.363098 0.872769 C\n0.998174 0.136902 0.127231 C\n0.501826 0.636902 0.127231 C\n0.001826 0.863098 0.872769 C\n0.344537 0.472178 0.215515 C\n0.844537 0.027822 0.784485 C\n0.655463 0.527822 0.784485 C\n0.155463 0.972178 0.215515 C\n0.381952 0.742394 0.601411 C\n0.881952 0.757606 0.398589 C\n0.618048 0.257606 0.398589 C\n0.118048 0.242394 0.601411 C\n0.319223 0.510687 0.779890 C\n0.819223 0.989313 0.220110 C\n0.680777 0.489313 0.220110 C\n0.180777 0.010687 0.779890 C\n0.301228 0.243445 0.450145 C\n0.801228 0.256555 0.549855 C\n0.698772 0.756555 0.549855 C\n0.198772 0.743445 0.450145 C\n0.492538 0.307615 0.689663 S\n0.992538 0.192385 0.310337 S\n0.507462 0.692385 0.310337 S\n0.007462 0.807615 0.689663 S\n0.387855 0.543366 0.719985 S\n0.887855 0.956634 0.280015 S\n0.612145 0.456634 0.280015 S\n0.112145 0.043366 0.719985 S\n0.333093 0.433299 0.422815 S\n0.833093 0.066701 0.577185 S\n0.666907 0.566701 0.577185 S\n0.166907 0.933299 0.422815 S\n0.443161 0.228818 0.394517 Cl\n0.943161 0.271182 0.605483 Cl\n0.556839 0.771182 0.605483 Cl\n0.056839 0.728818 0.394517 Cl\n0.383579 0.869231 0.975685 F\n0.883579 0.630769 0.024315 F\n0.616421 0.130769 0.024315 F\n0.116421 0.369231 0.975685 F\n0.384331 0.119011 0.022614 F\n0.884331 0.380989 0.977386 F\n0.615669 0.880989 0.977386 F\n0.115669 0.619011 0.022614 F\n0.292513 0.852125 0.024252 F\n0.792513 0.647875 0.975748 F\n0.707487 0.147875 0.975748 F\n0.207487 0.352125 0.024252 F\n0.293367 0.101577 0.072398 F\n0.793367 0.398423 0.927602 F\n0.706633 0.898423 0.927602 F\n0.206633 0.601577 0.072398 F\n0.326413 0.063171 0.837870 F\n0.826413 0.436829 0.162130 F\n0.673587 0.936829 0.162130 F\n0.173587 0.563171 0.837870 F\n0.350274 0.907296 0.209720 F\n0.850274 0.592704 0.790280 F\n0.649726 0.092704 0.790280 F\n0.149726 0.407296 0.209720 F\n",
"nsites": 144,
"nelements": 7,
"elements": [
"P",
"H",
"Pt",
"C",
"S",
"Cl",
"F"
],
"chemical_system": "C-Cl-F-H-P-Pt-S",
"density": 1.983930225415507,
"density_atomic": 0.07654524434133768,
"volume": 1881.2403205333278,
"volume_molar": 7.867426398360569,
"formula_full": "P4 H72 Pt4 C24 S12 Cl4 F24",
"formula_reduced": "PH18PtC6S3ClF6",
"formula_anonymous": "ABCD3E6F6G18",
"energy": -734.8966062100001,
"energy_per_atom": -5.103448654236112,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -715.31660621,
"band_gap": 3.2089,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.019434,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.124000Z",
"spacegroup": 14
},
{
"id": "mp-1199489",
"created_at": "2022-09-04T14:40:10.507840Z",
"structure_string": "Cs2 Ag2 H24 C8 S8 N4 O16\n1.0\n2.851806 10.192353 0.000000\n-2.851806 10.192353 0.000000\n0.000000 7.898483 15.030208\nCs Ag H C S N O\n2 2 24 8 8 4 16\ndirect\n0.835413 0.164587 0.750000 Cs\n0.164587 0.835413 0.250000 Cs\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n0.638191 0.752846 0.525962 H\n0.247153 0.361809 0.974038 H\n0.361809 0.247153 0.474038 H\n0.752847 0.638191 0.025962 H\n0.477814 0.724184 0.549784 H\n0.275816 0.522186 0.950216 H\n0.522186 0.275816 0.450216 H\n0.724184 0.477814 0.049784 H\n0.500795 0.851872 0.440132 H\n0.148128 0.499205 0.059868 H\n0.499205 0.148128 0.559868 H\n0.851872 0.500795 0.940132 H\n0.869683 0.494507 0.190062 H\n0.505493 0.130317 0.309938 H\n0.130317 0.505493 0.809938 H\n0.494507 0.869683 0.690062 H\n0.124705 0.207307 0.252594 H\n0.792693 0.875295 0.247406 H\n0.875295 0.792693 0.747406 H\n0.207307 0.124705 0.752594 H\n0.969457 0.487139 0.256259 H\n0.512861 0.030543 0.243741 H\n0.030543 0.512861 0.743741 H\n0.487139 0.969457 0.756259 H\n0.591411 0.720031 0.499346 C\n0.279969 0.408589 0.000654 C\n0.408589 0.279969 0.500654 C\n0.720031 0.591411 0.999346 C\n0.948224 0.407084 0.250633 C\n0.592916 0.051776 0.249367 C\n0.051776 0.592916 0.749367 C\n0.407084 0.948224 0.750633 C\n0.881827 0.419236 0.469785 S\n0.580764 0.118173 0.030215 S\n0.118173 0.580764 0.530215 S\n0.419236 0.881827 0.969785 S\n0.730141 0.473240 0.340373 S\n0.526760 0.269859 0.159627 S\n0.269859 0.526760 0.659627 S\n0.473240 0.730141 0.840373 S\n0.837499 0.338799 0.433904 N\n0.661201 0.162501 0.066096 N\n0.162501 0.661201 0.566096 N\n0.338799 0.837499 0.933904 N\n0.987211 0.251722 0.551614 O\n0.748278 0.012789 0.948386 O\n0.012789 0.748278 0.448386 O\n0.251722 0.987211 0.051614 O\n0.021208 0.426451 0.400552 O\n0.573549 0.978792 0.099448 O\n0.978792 0.573549 0.599448 O\n0.426451 0.021208 0.900552 O\n0.718457 0.352697 0.331052 O\n0.647303 0.281543 0.168948 O\n0.281543 0.647303 0.668948 O\n0.352697 0.718457 0.831052 O\n0.501090 0.739774 0.337488 O\n0.260226 0.498910 0.162512 O\n0.498910 0.260226 0.662512 O\n0.739774 0.501090 0.837488 O\n",
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"elements": [
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],
"chemical_system": "Ag-C-Cs-H-N-O-S",
"density": 2.224228456283779,
"density_atomic": 0.07324711988061164,
"volume": 873.754491703102,
"volume_molar": 8.221675841747393,
"formula_full": "Cs2 Ag2 H24 C8 S8 N4 O16",
"formula_reduced": "CsAgH12C4S4(NO4)2",
"formula_anonymous": "ABC2D4E4F8G12",
"energy": -356.22475595,
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"updated_at": "2021-11-28T01:34:47.291000Z",
"spacegroup": 15
},
{
"id": "mp-1200316",
"created_at": "2022-09-04T14:40:28.120842Z",
"structure_string": "Sn4 Hg1 B44 H124 C24 N8 Cl2\n1.0\n-7.898025 -7.898025 10.755277\n-7.898025 7.898025 -10.755277\n7.898025 -7.898025 -10.755277\nSn Hg B H C N Cl\n4 1 44 124 24 8 2\ndirect\n0.768362 0.947378 0.947378 Sn\n0.231638 0.179017 0.179017 Sn\n-0.000000 0.052622 0.820983 Sn\n-0.000000 0.820983 0.052622 Sn\n-0.000000 -0.000000 -0.000000 Hg\n0.669415 0.943010 0.026494 B\n0.330585 0.357079 0.273595 B\n0.083484 0.056990 0.726405 B\n0.916516 0.642921 0.973506 B\n0.916516 0.973506 0.642921 B\n0.083484 0.726405 0.056990 B\n0.669415 0.026494 0.943010 B\n0.330585 0.273595 0.357079 B\n0.605981 0.810089 0.945072 B\n0.394019 0.339091 0.204108 B\n0.134984 0.189911 0.795892 B\n0.865016 0.660909 0.054928 B\n0.865016 0.054928 0.660909 B\n0.134984 0.795892 0.189911 B\n0.605981 0.945072 0.810089 B\n0.394019 0.204108 0.339091 B\n0.566927 0.811402 0.811402 B\n0.433073 0.244475 0.244475 B\n0.000000 0.188598 0.755525 B\n0.000000 0.755525 0.188598 B\n0.457495 0.759769 0.839527 B\n0.542505 0.382032 0.302274 B\n0.079758 0.240231 0.697726 B\n0.920242 0.617968 0.160473 B\n0.920242 0.160473 0.617968 B\n0.079758 0.697726 0.240231 B\n0.457495 0.839527 0.759769 B\n0.542505 0.302274 0.382032 B\n0.518171 0.837641 0.966566 B\n0.481829 0.448395 0.319469 B\n0.128925 0.162359 0.680531 B\n0.871075 0.551605 0.033434 B\n0.871075 0.033434 0.551605 B\n0.128925 0.680531 0.162359 B\n0.518171 0.966566 0.837641 B\n0.481829 0.319469 0.448395 B\n0.555796 0.965368 0.965368 B\n0.444204 0.409572 0.409572 B\n-0.000000 0.034632 0.590428 B\n-0.000000 0.590428 0.034632 B\n0.425058 0.852949 0.852949 B\n0.574942 0.427891 0.427891 B\n-0.000000 0.147051 0.572109 B\n0.000000 0.572109 0.147051 B\n0.544652 0.269191 0.917630 H\n0.455348 0.372979 0.724540 H\n0.648439 0.730809 0.275460 H\n0.351561 0.627021 0.082370 H\n0.351561 0.082370 0.627021 H\n0.648439 0.275460 0.730809 H\n0.544652 0.917630 0.269191 H\n0.455348 0.724540 0.372979 H\n0.435656 0.160196 0.025700 H\n0.564344 0.590044 0.724540 H\n0.865504 0.839804 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"id": "mp-1205251",
"created_at": "2022-09-04T14:42:41.550036Z",
"structure_string": "Si4 B2 H36 C62 S2 O6 F46\n1.0\n10.637004 0.000000 0.000000\n3.114692 13.361414 0.000000\n2.055425 5.416383 14.375628\nSi B H C S O F\n4 2 36 62 2 6 46\ndirect\n0.234815 0.295118 0.985440 Si\n0.765185 0.704882 0.014560 Si\n0.019301 0.256224 0.340770 Si\n0.980699 0.743776 0.659230 Si\n0.771720 0.225897 0.741154 B\n0.228280 0.774103 0.258846 B\n0.374002 0.430631 0.927574 H\n0.625998 0.569369 0.072426 H\n0.261240 0.448280 0.845560 H\n0.738760 0.551720 0.154440 H\n0.208810 0.491308 0.942265 H\n0.791190 0.508692 0.057735 H\n0.331796 0.105124 0.016972 H\n0.668204 0.894876 0.983028 H\n0.345352 0.184491 0.896522 H\n0.654648 0.815509 0.103478 H\n0.451627 0.186714 0.974564 H\n0.548373 0.813286 0.025436 H\n0.999219 0.353178 0.009583 H\n0.000781 0.646822 0.990417 H\n0.035387 0.291455 0.924583 H\n0.964613 0.708545 0.075417 H\n0.045015 0.210228 0.044364 H\n0.954985 0.789772 0.955636 H\n0.166211 0.132081 0.463407 H\n0.833789 0.867919 0.536593 H\n0.002033 0.117963 0.492119 H\n0.997967 0.882037 0.507881 H\n0.094838 0.062474 0.411146 H\n0.905162 0.937526 0.588854 H\n0.994292 0.451778 0.300888 H\n0.005708 0.548222 0.699112 H\n0.914270 0.389453 0.408843 H\n0.085730 0.610547 0.591157 H\n0.084185 0.379094 0.402831 H\n0.915815 0.620906 0.597169 H\n0.905426 0.179480 0.259328 H\n0.094574 0.820520 0.740672 H\n0.797995 0.250471 0.323465 H\n0.202005 0.749529 0.676535 H\n0.867313 0.322971 0.213967 H\n0.132687 0.677029 0.786033 H\n0.931926 0.211418 0.721768 C\n0.068074 0.788582 0.278232 C\n0.016816 0.132133 0.695133 C\n0.983184 0.867867 0.304867 C\n0.151036 0.124412 0.682809 C\n0.848964 0.875588 0.317191 C\n0.207928 0.196568 0.700381 C\n0.792072 0.803432 0.299619 C\n0.128459 0.275012 0.730202 C\n0.871541 0.724988 0.269798 C\n0.995458 0.280352 0.739749 C\n0.004542 0.719648 0.260251 C\n0.758695 0.196081 0.856423 C\n0.241305 0.803919 0.143577 C\n0.811340 0.092639 0.914776 C\n0.188660 0.907361 0.085224 C\n0.818238 0.060535 0.010791 C\n0.181762 0.939465 0.989209 C\n0.772362 0.134856 0.054715 C\n0.227638 0.865144 0.945285 C\n0.719414 0.238957 0.000487 C\n0.280586 0.761043 0.999513 C\n0.713743 0.266967 0.904412 C\n0.286257 0.733033 0.095588 C\n0.707184 0.147494 0.706609 C\n0.292816 0.852506 0.293391 C\n0.627358 0.076024 0.760020 C\n0.372642 0.923976 0.239980 C\n0.574879 0.013154 0.726414 C\n0.425121 0.986846 0.273586 C\n0.597490 0.022100 0.633531 C\n0.402510 0.977900 0.366469 C\n0.672267 0.095135 0.575969 C\n0.327733 0.904865 0.424031 C\n0.724128 0.154471 0.613419 C\n0.275872 0.845529 0.386581 C\n0.694797 0.348566 0.680453 C\n0.305203 0.651434 0.319547 C\n0.747282 0.425025 0.605074 C\n0.252718 0.574975 0.394926 C\n0.676837 0.524569 0.553007 C\n0.323163 0.475431 0.446993 C\n0.545586 0.552289 0.574426 C\n0.454414 0.447711 0.425574 C\n0.487435 0.478719 0.647875 C\n0.512565 0.521281 0.352125 C\n0.561791 0.380339 0.697539 C\n0.438209 0.619661 0.302461 C\n0.358733 0.356728 0.204038 C\n0.641267 0.643272 0.795962 C\n0.273283 0.429391 0.919752 C\n0.726717 0.570609 0.080248 C\n0.352130 0.181788 0.967554 C\n0.647870 0.818212 0.032446 C\n0.062077 0.286759 0.992259 C\n0.937923 0.713241 0.007741 C\n0.077469 0.130199 0.435563 C\n0.922531 0.869801 0.564437 C\n0.003080 0.380938 0.364816 C\n0.996920 0.619062 0.635184 C\n0.886079 0.252013 0.277240 C\n0.113921 0.747987 0.722760 C\n0.207774 0.333176 0.170066 S\n0.792226 0.666824 0.829934 S\n0.262216 0.271329 0.106873 O\n0.737784 0.728671 0.893127 O\n0.161539 0.254719 0.258520 O\n0.838461 0.745281 0.741480 O\n0.121421 0.432851 0.130929 O\n0.878579 0.567149 0.869071 O\n0.416499 0.416411 0.126333 F\n0.583501 0.583589 0.873667 F\n0.437771 0.263610 0.244111 F\n0.562229 0.736390 0.755889 F\n0.322282 0.409177 0.263820 F\n0.677718 0.590823 0.736180 F\n0.972989 0.054260 0.679277 F\n0.027011 0.945740 0.320723 F\n0.226469 0.046781 0.654603 F\n0.773531 0.953219 0.345397 F\n0.337159 0.190211 0.689951 F\n0.662841 0.809789 0.310049 F\n0.181474 0.345220 0.749926 F\n0.818526 0.654780 0.250074 F\n0.925230 0.360714 0.768446 F\n0.074770 0.639286 0.231554 F\n0.861193 0.014814 0.877736 F\n0.138807 0.985186 0.122264 F\n0.870146 0.958204 0.061740 F\n0.129854 0.041796 0.938260 F\n0.780784 0.107055 0.147249 F\n0.219216 0.892945 0.852751 F\n0.675217 0.313414 0.041426 F\n0.324783 0.686586 0.958574 F\n0.661792 0.371793 0.859221 F\n0.338208 0.628207 0.140779 F\n0.593348 0.063241 0.851109 F\n0.406652 0.936759 0.148891 F\n0.499491 0.944965 0.783427 F\n0.500509 0.055035 0.216573 F\n0.547661 0.962116 0.599765 F\n0.452339 0.037884 0.400235 F\n0.695052 0.106623 0.484813 F\n0.304948 0.893377 0.515187 F\n0.798400 0.222506 0.552436 F\n0.201600 0.777494 0.447564 F\n0.874381 0.407297 0.576060 F\n0.125619 0.592703 0.423940 F\n0.735877 0.594697 0.481797 F\n0.264123 0.405303 0.518203 F\n0.476003 0.648296 0.525339 F\n0.523997 0.351704 0.474661 F\n0.359376 0.504584 0.670111 F\n0.640624 0.495416 0.329889 F\n0.497123 0.312953 0.767826 F\n0.502877 0.687047 0.232174 F\n",
"nsites": 158,
"nelements": 7,
"elements": [
"Si",
"B",
"H",
"C",
"S",
"O",
"F"
],
"chemical_system": "B-C-F-H-O-S-Si",
"density": 1.5839987437396499,
"density_atomic": 0.07733187098763097,
"volume": 2043.1420833626498,
"volume_molar": 7.787398239676918,
"formula_full": "Si4 B2 H36 C62 S2 O6 F46",
"formula_reduced": "Si2BH18C31SO3F23",
"formula_anonymous": "ABC2D3E18F23G31",
"energy": -981.71361592,
"energy_per_atom": -6.2133773159493675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -956.33961592,
"band_gap": 3.5495,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0004912,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:56.528000Z",
"spacegroup": 2
}
]
}