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{
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"structure_string": "Ag4 H144 C60 S12 N24 Cl4\n1.0\n13.196300 0.042132 3.742213\n5.461473 12.263128 3.727902\n-0.039242 -0.006343 16.874958\nAg H C S N Cl\n4 144 60 12 24 4\ndirect\n0.326257 0.307500 0.544834 Ag\n0.673743 0.692500 0.455166 Ag\n0.324530 0.841211 0.973458 Ag\n0.675470 0.158789 0.026542 Ag\n0.503814 0.182426 0.411736 H\n0.496186 0.817574 0.588264 H\n0.493519 0.126338 0.286383 H\n0.506481 0.873662 0.713617 H\n0.709984 0.928304 0.475272 H\n0.290016 0.071696 0.524728 H\n0.879629 0.912715 0.555347 H\n0.120371 0.087285 0.444653 H\n0.192750 0.364884 0.429513 H\n0.807250 0.635116 0.570487 H\n0.132460 0.323549 0.289504 H\n0.867540 0.676451 0.710496 H\n0.917760 0.391288 0.486322 H\n0.082240 0.608712 0.513678 H\n0.839292 0.234363 0.550241 H\n0.160708 0.765637 0.449759 H\n0.364652 0.493082 0.428459 H\n0.635348 0.506918 0.571541 H\n0.492143 0.503534 0.298440 H\n0.507857 0.496466 0.701560 H\n0.386758 0.690412 0.504881 H\n0.613242 0.309588 0.495119 H\n0.211474 0.845562 0.599822 H\n0.788526 0.154438 0.400178 H\n0.447414 0.822652 0.103564 H\n0.552586 0.177348 0.896436 H\n0.612159 0.718450 0.232623 H\n0.387841 0.281550 0.767377 H\n0.678602 0.891852 0.033377 H\n0.321398 0.108148 0.966623 H\n0.878431 0.760733 0.943893 H\n0.121569 0.239267 0.056107 H\n0.137440 0.963686 0.088370 H\n0.862560 0.036314 0.911630 H\n0.029628 0.912089 0.213406 H\n0.970372 0.087911 0.786594 H\n0.918736 0.199565 0.014945 H\n0.081264 0.800435 0.985055 H\n0.952386 0.395128 0.923682 H\n0.047614 0.604872 0.076318 H\n0.345349 0.644627 0.073988 H\n0.654651 0.355373 0.926012 H\n0.223817 0.525356 0.201244 H\n0.776183 0.474644 0.798756 H\n0.365257 0.419322 0.005824 H\n0.634743 0.580678 0.994176 H\n0.166092 0.450888 0.946911 H\n0.833908 0.549112 0.053089 H\n0.715384 0.013934 0.351891 H\n0.284616 0.986066 0.648109 H\n0.610372 0.964118 0.379279 H\n0.389628 0.035882 0.620721 H\n0.596329 0.179219 0.260023 H\n0.403671 0.820781 0.739977 H\n0.625555 0.056395 0.227568 H\n0.374445 0.943605 0.772432 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H\n0.694772 0.399580 0.324921 H\n0.380310 0.684327 0.647000 H\n0.619690 0.315673 0.353000 H\n0.136671 0.761025 0.630179 H\n0.863329 0.238975 0.369821 H\n0.182929 0.788875 0.707135 H\n0.817071 0.211125 0.292865 H\n0.553308 0.950501 0.127899 H\n0.446692 0.049499 0.872101 H\n0.460388 0.902006 0.200886 H\n0.539612 0.097994 0.799114 H\n0.711642 0.759966 0.157581 H\n0.288358 0.240034 0.842419 H\n0.643782 0.821874 0.247536 H\n0.356218 0.178126 0.752464 H\n0.669871 0.890545 0.861511 H\n0.330129 0.109455 0.138489 H\n0.738942 0.951042 0.894591 H\n0.261058 0.048958 0.105409 H\n0.812008 0.705040 0.902521 H\n0.187992 0.294960 0.097479 H\n0.880310 0.786697 0.834341 H\n0.119690 0.213303 0.165659 H\n0.947039 0.157418 0.139622 H\n0.052961 0.842582 0.860378 H\n0.902486 0.066671 0.118937 H\n0.097514 0.933329 0.881063 H\n0.061146 0.008153 0.240474 H\n0.938854 0.991847 0.759526 H\n0.923273 0.015727 0.268613 H\n0.076727 0.984273 0.731387 H\n0.042425 0.189320 0.843424 H\n0.957575 0.810680 0.156576 H\n0.899429 0.269700 0.876909 H\n0.100571 0.730300 0.123091 H\n0.095551 0.313012 0.890366 H\n0.904449 0.686988 0.109634 H\n0.006138 0.386862 0.815667 H\n0.993862 0.613138 0.184333 H\n0.447645 0.403664 0.092825 H\n0.552355 0.596336 0.907175 H\n0.426828 0.485077 0.164017 H\n0.573172 0.514923 0.835983 H\n0.241520 0.437687 0.133368 H\n0.758480 0.562313 0.866632 H\n0.309046 0.383538 0.221579 H\n0.690954 0.616462 0.778421 H\n0.335149 0.543448 0.838394 H\n0.664851 0.456552 0.161606 H\n0.365366 0.402572 0.874940 H\n0.634634 0.597428 0.125060 H\n0.135983 0.591905 0.907689 H\n0.864017 0.408095 0.092311 H\n0.176038 0.499793 0.837315 H\n0.823962 0.500207 0.162685 H\n0.624763 0.039661 0.359766 C\n0.375237 0.960339 0.640234 C\n0.582932 0.103724 0.278701 C\n0.417068 0.896276 0.721299 C\n0.708936 0.930091 0.600466 C\n0.291064 0.069909 0.399534 C\n0.808910 0.949084 0.603733 C\n0.191090 0.050916 0.396267 C\n0.047044 0.441640 0.373755 C\n0.952956 0.558360 0.626245 C\n0.046943 0.371213 0.317990 C\n0.953057 0.628787 0.682010 C\n0.907728 0.304413 0.609680 C\n0.092272 0.695587 0.390320 C\n0.886104 0.209868 0.601115 C\n0.113896 0.790132 0.398885 C\n0.423351 0.620181 0.382449 C\n0.576649 0.379819 0.617551 C\n0.440986 0.591242 0.297599 C\n0.559014 0.408758 0.702401 C\n0.313185 0.672532 0.632772 C\n0.686815 0.327468 0.367228 C\n0.204333 0.773341 0.642840 C\n0.795667 0.226659 0.357160 C\n0.537777 0.876307 0.155326 C\n0.462223 0.123693 0.844674 C\n0.631950 0.788806 0.200331 C\n0.368050 0.211194 0.799669 C\n0.721641 0.878312 0.905896 C\n0.278359 0.121688 0.094104 C\n0.829727 0.776418 0.896126 C\n0.170273 0.223582 0.103874 C\n0.972310 0.070851 0.136478 C\n0.027690 0.929149 0.863522 C\n0.997461 0.998057 0.219817 C\n0.002539 0.001943 0.780183 C\n0.983859 0.242758 0.888484 C\n0.016141 0.757242 0.111516 C\n0.010896 0.340445 0.879317 C\n0.989104 0.659555 0.120683 C\n0.385282 0.474804 0.121692 C\n0.614718 0.525196 0.878308 C\n0.283569 0.454151 0.171812 C\n0.716431 0.545849 0.828188 C\n0.311660 0.485299 0.888903 C\n0.688340 0.514701 0.111097 C\n0.189946 0.508387 0.895755 C\n0.810054 0.491613 0.104245 C\n0.590699 0.076934 0.502667 C\n0.409301 0.923066 0.497333 C\n0.072051 0.331238 0.515925 C\n0.927949 0.668762 0.484075 C\n0.332289 0.569640 0.525634 C\n0.667711 0.430360 0.474366 C\n0.571452 0.839618 0.011131 C\n0.428548 0.160382 0.988869 C\n0.079578 0.086602 0.993035 C\n0.920422 0.913398 0.006965 C\n0.330420 0.582188 0.984961 C\n0.669580 0.417812 0.015039 C\n0.521925 0.161175 0.576759 S\n0.478075 0.838825 0.423241 S\n0.156947 0.255573 0.589447 S\n0.843053 0.744427 0.410553 S\n0.267062 0.492769 0.595783 S\n0.732938 0.507231 0.404217 S\n0.536600 0.799158 0.938678 S\n0.463400 0.200842 0.061322 S\n0.199691 0.040996 0.921129 S\n0.800309 0.959004 0.078871 S\n0.288549 0.704825 0.917970 S\n0.711451 0.295175 0.082030 S\n0.567881 0.107632 0.425026 N\n0.432119 0.892368 0.574974 N\n0.671737 0.976729 0.520329 N\n0.328263 0.023271 0.479671 N\n0.110015 0.378614 0.441529 N\n0.889985 0.621386 0.558471 N\n0.964842 0.345642 0.531822 N\n0.035158 0.654358 0.468178 N\n0.369155 0.556624 0.445474 N\n0.630845 0.443376 0.554526 N\n0.347585 0.646891 0.548728 N\n0.652415 0.353109 0.451272 N\n0.516373 0.840051 0.090452 N\n0.483627 0.159949 0.909548 N\n0.655950 0.871377 0.989518 N\n0.344050 0.128623 0.010482 N\n0.071295 0.035400 0.072493 N\n0.928705 0.964600 0.927507 N\n0.990008 0.176637 0.971423 N\n0.009992 0.823363 0.028577 N\n0.359081 0.573040 0.057680 N\n0.640919 0.426960 0.942320 N\n0.336882 0.491144 0.965548 N\n0.663118 0.508856 0.034452 N\n0.365360 0.354186 0.377382 Cl\n0.634640 0.645814 0.622618 Cl\n0.281792 0.804965 0.140462 Cl\n0.718208 0.195035 0.859538 Cl\n",
"nsites": 248,
"nelements": 6,
"elements": [
"Ag",
"H",
"C",
"S",
"N",
"Cl"
],
"chemical_system": "Ag-C-Cl-H-N-S",
"density": 1.314353279709431,
"density_atomic": 0.09087799602902329,
"volume": 2728.9334144295763,
"volume_molar": 6.626621429984808,
"formula_full": "Ag4 H144 C60 S12 N24 Cl4",
"formula_reduced": "AgH36C15S3N6Cl",
"formula_anonymous": "ABC3D6E15F36",
"energy": -1364.40809553,
"energy_per_atom": -5.501645546491936,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1355.91609553,
"band_gap": 3.459,
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"total_magnetization": 0.0446255,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.861000Z",
"spacegroup": 2
},
{
"id": "mp-1215002",
"created_at": "2022-09-04T14:41:31.744183Z",
"structure_string": "Ag4 H16 C4 S4 N10 Cl2 O6\n1.0\n6.534733 0.000000 0.000000\n1.720797 7.699589 0.000000\n1.522594 1.281215 11.926373\nAg H C S N Cl O\n4 16 4 4 10 2 6\ndirect\n0.575046 0.667328 0.064846 Ag\n0.424954 0.332672 0.935154 Ag\n0.011761 0.627591 0.845067 Ag\n0.988239 0.372409 0.154933 Ag\n0.267277 0.583870 0.260617 H\n0.732723 0.416130 0.739383 H\n0.512228 0.025899 0.645244 H\n0.487772 0.974101 0.354756 H\n0.230533 0.007312 0.314498 H\n0.769467 0.992688 0.685502 H\n0.754356 0.299430 0.428942 H\n0.245644 0.700570 0.571058 H\n0.762474 0.023929 0.226078 H\n0.237526 0.976071 0.773922 H\n0.714401 0.116653 0.088883 H\n0.285599 0.883347 0.911117 H\n0.498332 0.254478 0.459826 H\n0.501668 0.745522 0.540174 H\n0.221107 0.424915 0.372026 H\n0.778893 0.575085 0.627974 H\n0.453110 0.074884 0.192250 C\n0.546890 0.925116 0.807750 C\n0.528994 0.450197 0.333960 C\n0.471006 0.549803 0.666040 C\n0.298642 0.428732 0.745765 S\n0.701358 0.571268 0.254235 S\n0.277526 0.138639 0.089732 S\n0.722474 0.861361 0.910268 S\n0.120411 0.167967 0.559183 N\n0.879589 0.832033 0.440817 N\n0.658232 0.072915 0.167462 N\n0.341768 0.927085 0.832538 N\n0.382963 0.019899 0.295652 N\n0.617037 0.980101 0.704348 N\n0.600792 0.323853 0.412160 N\n0.399208 0.676147 0.587840 N\n0.324322 0.488997 0.321032 N\n0.675678 0.511003 0.678968 N\n0.183316 0.659995 0.057492 Cl\n0.816684 0.340005 0.942508 Cl\n0.319709 0.114892 0.541577 O\n0.680291 0.885108 0.458423 O\n0.026183 0.281219 0.488223 O\n0.973817 0.718781 0.511777 O\n0.021791 0.106711 0.646613 O\n0.978209 0.893289 0.353387 O\n",
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"nelements": 7,
"elements": [
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"Cl",
"O"
],
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"density": 2.575937398817746,
"density_atomic": 0.07665739429229394,
"volume": 600.0725751856686,
"volume_molar": 7.855916334747347,
"formula_full": "Ag4 H16 C4 S4 N10 Cl2 O6",
"formula_reduced": "Ag2H8C2S2N5ClO3",
"formula_anonymous": "AB2C2D2E3F5G8",
"energy": -261.41536536,
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"updated_at": "2021-11-28T01:35:23.693000Z",
"spacegroup": 2
}
]
}