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{
"id": "mp-1202845",
"created_at": "2022-09-04T14:44:19.427902Z",
"structure_string": "Li2 Cu4 Si24 H162 C54\n1.0\n13.426684 0.013022 -2.223217\n-7.050273 12.312972 -1.491326\n0.040534 0.028118 17.856649\nLi Cu Si H C\n2 4 24 162 54\ndirect\n0.887154 0.050961 0.238079 Li\n0.112846 0.949039 0.761921 Li\n0.690758 0.997155 0.264969 Cu\n0.309242 0.002845 0.735031 Cu\n0.804373 0.182565 0.244758 Cu\n0.195627 0.817435 0.755242 Cu\n0.630643 0.780271 0.370514 Si\n0.369357 0.219729 0.629486 Si\n0.598804 0.709369 0.150837 Si\n0.401196 0.290631 0.849163 Si\n0.875931 0.807313 0.295253 Si\n0.124069 0.192687 0.704747 Si\n0.124011 0.305470 0.332829 Si\n0.875989 0.694530 0.667171 Si\n0.049167 0.462806 0.197364 Si\n0.950833 0.537194 0.802636 Si\n0.007814 0.191047 0.112211 Si\n0.992186 0.808953 0.887789 Si\n0.424321 0.013915 0.287998 Si\n0.575679 0.986085 0.712002 Si\n0.564460 0.177241 0.148292 Si\n0.435540 0.822759 0.851708 Si\n0.696653 0.270923 0.377432 Si\n0.303347 0.729077 0.622568 Si\n0.718821 0.843097 0.266516 Si\n0.281179 0.156903 0.733484 Si\n0.986046 0.283510 0.222204 Si\n0.013954 0.716490 0.777796 Si\n0.612448 0.122685 0.266286 Si\n0.387552 0.877315 0.733714 Si\n0.597866 0.648211 0.455128 H\n0.402134 0.351789 0.544872 H\n0.586022 0.585582 0.360298 H\n0.413978 0.414418 0.639702 H\n0.723642 0.674621 0.423176 H\n0.276358 0.325379 0.576824 H\n0.664957 0.865143 0.508157 H\n0.335043 0.134857 0.491843 H\n0.793806 0.927136 0.475829 H\n0.206195 0.072864 0.524171 H\n0.686076 0.962048 0.448224 H\n0.313924 0.037952 0.551776 H\n0.436205 0.715134 0.394010 H\n0.563795 0.284866 0.605990 H\n0.457497 0.799246 0.324594 H\n0.542503 0.200754 0.675406 H\n0.425883 0.663233 0.296327 H\n0.574117 0.336767 0.703673 H\n0.436849 0.683969 0.047898 H\n0.563151 0.316031 0.952102 H\n0.428982 0.737669 0.139749 H\n0.571018 0.262331 0.860251 H\n0.528529 0.824471 0.090931 H\n0.471471 0.175529 0.909069 H\n0.463214 0.512183 0.109243 H\n0.536786 0.487817 0.890757 H\n0.572984 0.535163 0.189790 H\n0.427016 0.464837 0.810210 H\n0.459191 0.558097 0.204355 H\n0.540809 0.441903 0.795645 H\n0.618263 0.645671 0.022654 H\n0.381737 0.354329 0.977346 H\n0.726950 0.782934 0.059390 H\n0.273050 0.217066 0.940610 H\n0.741828 0.676778 0.094408 H\n0.258172 0.323222 0.905592 H\n0.032839 0.847802 0.408180 H\n0.967161 0.152198 0.591820 H\n0.998700 0.953829 0.415421 H\n0.001300 0.046171 0.584579 H\n0.909252 0.828884 0.440274 H\n0.090748 0.171116 0.559726 H\n0.043340 0.826129 0.247619 H\n0.956660 0.173871 0.752381 H\n0.941265 0.823118 0.170350 H\n0.058735 0.176882 0.829650 H\n0.034646 0.944789 0.241464 H\n0.965354 0.055211 0.758536 H\n0.897505 0.645251 0.297105 H\n0.102495 0.354749 0.702895 H\n0.760054 0.613464 0.311589 H\n0.239946 0.386536 0.688411 H\n0.785136 0.616896 0.216894 H\n0.214864 0.383104 0.783106 H\n0.167535 0.372385 0.474401 H\n0.832465 0.627615 0.525599 H\n0.137417 0.460224 0.423626 H\n0.862583 0.539776 0.576374 H\n0.023156 0.334509 0.431586 H\n0.976844 0.665491 0.568414 H\n0.332776 0.384640 0.385573 H\n0.667224 0.615360 0.614427 H\n0.299344 0.340765 0.283161 H\n0.700656 0.659235 0.716839 H\n0.307968 0.464552 0.323535 H\n0.692032 0.535448 0.676465 H\n0.152035 0.172922 0.401807 H\n0.847965 0.827078 0.598193 H\n0.005581 0.118779 0.359201 H\n0.994420 0.881221 0.640799 H\n0.103154 0.118752 0.301245 H\n0.896846 0.881248 0.698755 H\n0.120222 0.646203 0.273011 H\n0.879778 0.353797 0.726989 H\n0.040007 0.548890 0.325361 H\n0.959993 0.451110 0.674639 H\n0.183390 0.581087 0.325069 H\n0.816610 0.418913 0.674931 H\n0.205303 0.593055 0.145502 H\n0.794697 0.406945 0.854498 H\n0.244703 0.500540 0.180701 H\n0.755297 0.499460 0.819299 H\n0.147324 0.460992 0.088925 H\n0.852676 0.539008 0.911075 H\n0.971023 0.561005 0.125782 H\n0.028977 0.438995 0.874218 H\n0.906751 0.425266 0.073265 H\n0.093249 0.574734 0.926735 H\n0.858845 0.454429 0.155190 H\n0.141155 0.545571 0.844810 H\n0.950068 0.160443 0.969088 H\n0.049932 0.839557 0.030912 H\n0.862594 0.201166 0.011121 H\n0.137406 0.798834 0.988879 H\n0.004515 0.299218 0.010048 H\n0.995485 0.700782 0.989952 H\n0.160406 0.179312 0.058532 H\n0.839594 0.820688 0.941468 H\n0.219432 0.306378 0.122711 H\n0.780568 0.693622 0.877289 H\n0.190122 0.187994 0.160503 H\n0.809878 0.812006 0.839497 H\n0.915084 0.996527 0.046736 H\n0.084916 0.003473 0.953264 H\n0.957515 0.006446 0.146281 H\n0.042485 0.993554 0.853719 H\n0.829553 0.011469 0.105834 H\n0.170447 0.988531 0.894166 H\n0.246334 0.841227 0.228166 H\n0.753666 0.158773 0.771834 H\n0.321957 0.891450 0.156298 H\n0.678043 0.108550 0.843702 H\n0.366270 0.824507 0.221011 H\n0.633730 0.175493 0.778989 H\n0.345954 0.928489 0.394004 H\n0.654046 0.071511 0.605996 H\n0.487081 0.948876 0.403091 H\n0.512919 0.051124 0.596909 H\n0.466195 0.059479 0.433035 H\n0.533805 0.940521 0.566965 H\n0.278105 0.057864 0.318477 H\n0.721895 0.942136 0.681523 H\n0.389479 0.175385 0.298566 H\n0.610521 0.824615 0.701434 H\n0.285924 0.066888 0.221023 H\n0.714076 0.933112 0.778977 H\n0.631499 0.195760 0.026538 H\n0.368501 0.804240 0.973462 H\n0.750421 0.242438 0.107352 H\n0.249579 0.757562 0.892648 H\n0.657270 0.100796 0.071189 H\n0.342730 0.899204 0.928811 H\n0.408961 0.102108 0.029765 H\n0.591039 0.897892 0.970235 H\n0.393048 0.995694 0.078642 H\n0.606952 0.004306 0.921358 H\n0.348144 0.088331 0.111555 H\n0.651856 0.911669 0.888445 H\n0.566121 0.339616 0.109773 H\n0.433879 0.660384 0.890227 H\n0.507483 0.313864 0.192109 H\n0.492517 0.686136 0.807891 H\n0.658567 0.378231 0.203392 H\n0.341433 0.621769 0.796608 H\n0.797415 0.297898 0.513550 H\n0.202585 0.702102 0.486450 H\n0.686948 0.160366 0.480047 H\n0.313052 0.839634 0.519953 H\n0.818247 0.206613 0.450924 H\n0.181753 0.793387 0.549076 H\n0.649362 0.389483 0.456244 H\n0.350637 0.610517 0.543756 H\n0.555123 0.340011 0.362750 H\n0.444877 0.659989 0.637250 H\n0.530338 0.255614 0.432361 H\n0.469662 0.744386 0.567639 H\n0.861034 0.458151 0.417505 H\n0.138966 0.541849 0.582495 H\n0.886432 0.380878 0.345802 H\n0.113568 0.619122 0.654198 H\n0.793693 0.433285 0.317968 H\n0.206307 0.566715 0.682032 H\n0.636173 0.660850 0.404647 C\n0.363827 0.339150 0.595353 C\n0.700679 0.894561 0.458886 C\n0.299321 0.105439 0.541114 C\n0.472742 0.735488 0.343471 C\n0.527258 0.264512 0.656529 C\n0.487873 0.742339 0.102992 C\n0.512127 0.257661 0.897008 C\n0.516626 0.565577 0.165834 C\n0.483374 0.434423 0.834166 C\n0.680366 0.703996 0.075382 C\n0.319634 0.296004 0.924618 C\n0.961783 0.865435 0.399598 C\n0.038217 0.134565 0.600402 C\n0.982962 0.856105 0.232297 C\n0.017038 0.143895 0.767703 C\n0.823083 0.656142 0.278455 C\n0.176917 0.343858 0.721545 C\n0.111161 0.374786 0.423930 C\n0.888839 0.625214 0.576070 C\n0.280422 0.380796 0.330231 C\n0.719578 0.619204 0.669769 C\n0.092113 0.165411 0.349187 C\n0.907887 0.834589 0.650813 C\n0.102776 0.568639 0.289557 C\n0.897224 0.431361 0.710443 C\n0.173160 0.507262 0.148550 C\n0.826840 0.492738 0.851450 C\n0.934592 0.475738 0.131585 C\n0.065408 0.524262 0.868415 C\n0.950540 0.215954 0.017018 C\n0.049460 0.784046 0.982982 C\n0.158763 0.219210 0.114121 C\n0.841237 0.780790 0.885879 C\n0.919254 0.037978 0.103677 C\n0.080746 0.962022 0.896323 C\n0.332208 0.880269 0.216312 C\n0.667792 0.119731 0.783688 C\n0.432786 0.985291 0.389051 C\n0.567214 0.014709 0.610949 C\n0.337521 0.086780 0.280258 C\n0.662479 0.913219 0.719742 C\n0.660665 0.179574 0.082330 C\n0.339335 0.820426 0.917670 C\n0.413887 0.080835 0.087240 C\n0.586113 0.919165 0.912760 C\n0.575695 0.315365 0.165792 C\n0.424305 0.684635 0.834208 C\n0.754911 0.229344 0.463412 C\n0.245089 0.770656 0.536588 C\n0.596978 0.316972 0.409361 C\n0.403022 0.683028 0.590639 C\n0.821128 0.397517 0.362720 C\n0.178872 0.602483 0.637280 C\n",
"nsites": 246,
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"elements": [
"Li",
"Cu",
"Si",
"H",
"C"
],
"chemical_system": "C-Cu-H-Li-Si",
"density": 0.9853511207752278,
"density_atomic": 0.08322462990888559,
"volume": 2955.8557396929377,
"volume_molar": 7.236007858001948,
"formula_full": "Li2 Cu4 Si24 H162 C54",
"formula_reduced": "LiCu2Si12(H3C)27",
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"energy": -1241.59942149,
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"updated_at": "2021-11-28T01:36:42.941000Z",
"spacegroup": 2
},
{
"id": "mp-1199833",
"created_at": "2022-09-04T14:44:20.509278Z",
"structure_string": "Cs40 Tl24 Si4 O16\n1.0\n11.754592 0.000000 0.000000\n0.000000 15.274484 0.000000\n0.000000 0.085166 19.636507\nCs Tl Si O\n40 24 4 16\ndirect\n0.037865 0.187889 0.244708 Cs\n0.537865 0.312111 0.755292 Cs\n0.962135 0.812111 0.755292 Cs\n0.462135 0.687889 0.244708 Cs\n0.321579 0.544139 0.745983 Cs\n0.821579 0.955861 0.254017 Cs\n0.678421 0.455861 0.254017 Cs\n0.178421 0.044139 0.745983 Cs\n0.718030 0.584455 0.753322 Cs\n0.218030 0.915545 0.246678 Cs\n0.281970 0.415545 0.246678 Cs\n0.781970 0.084455 0.753322 Cs\n0.673046 0.188258 0.254243 Cs\n0.173046 0.311742 0.745757 Cs\n0.326954 0.811742 0.745757 Cs\n0.826954 0.688258 0.254243 Cs\n0.189097 0.298838 0.426352 Cs\n0.689097 0.201162 0.573648 Cs\n0.810903 0.701162 0.573648 Cs\n0.310903 0.798838 0.426352 Cs\n0.821298 0.694377 0.934922 Cs\n0.321298 0.805623 0.065078 Cs\n0.178702 0.305623 0.065078 Cs\n0.678702 0.194377 0.934922 Cs\n0.851258 0.320114 0.405157 Cs\n0.351258 0.179886 0.594843 Cs\n0.148742 0.679886 0.594843 Cs\n0.648742 0.820114 0.405157 Cs\n0.159258 0.671673 0.903389 Cs\n0.659258 0.828327 0.096611 Cs\n0.840742 0.328327 0.096611 Cs\n0.340742 0.171673 0.903389 Cs\n0.960890 0.444198 0.621370 Cs\n0.460890 0.055802 0.378630 Cs\n0.039110 0.555802 0.378630 Cs\n0.539110 0.944198 0.621370 Cs\n0.033527 0.561900 0.124289 Cs\n0.533527 0.938100 0.875711 Cs\n0.966473 0.438100 0.875711 Cs\n0.466473 0.061900 0.124289 Cs\n0.514721 0.358208 0.433537 Tl\n0.014721 0.141792 0.566463 Tl\n0.485279 0.641792 0.566463 Tl\n0.985279 0.858208 0.433537 Tl\n0.492883 0.638447 0.928683 Tl\n0.992883 0.861553 0.071317 Tl\n0.507117 0.361553 0.071317 Tl\n0.007117 0.138447 0.928683 Tl\n0.331041 0.441573 0.565018 Tl\n0.831041 0.058427 0.434982 Tl\n0.668959 0.558427 0.434982 Tl\n0.168959 0.941573 0.565018 Tl\n0.647896 0.568200 0.076480 Tl\n0.147896 0.931800 0.923520 Tl\n0.352104 0.431800 0.923520 Tl\n0.852104 0.068200 0.076480 Tl\n0.599380 0.457697 0.567071 Tl\n0.099380 0.042303 0.432929 Tl\n0.400620 0.542303 0.432929 Tl\n0.900620 0.957697 0.567071 Tl\n0.382343 0.541674 0.056593 Tl\n0.882343 0.958326 0.943407 Tl\n0.617657 0.458326 0.943407 Tl\n0.117657 0.041674 0.056593 Tl\n0.974955 0.400402 0.249723 Si\n0.474955 0.099598 0.750277 Si\n0.025045 0.599598 0.750277 Si\n0.525045 0.900402 0.249723 Si\n0.863955 0.331057 0.250487 O\n0.363955 0.168943 0.749513 O\n0.136045 0.668943 0.749513 O\n0.636045 0.831057 0.250487 O\n0.056309 0.379198 0.317699 O\n0.556309 0.120802 0.682301 O\n0.943691 0.620802 0.682301 O\n0.443691 0.879198 0.317699 O\n0.948180 0.618461 0.820760 O\n0.448180 0.881539 0.179240 O\n0.051820 0.381539 0.179240 O\n0.551820 0.118461 0.820760 O\n0.931274 0.504295 0.250800 O\n0.431274 0.995705 0.749200 O\n0.068726 0.495705 0.749200 O\n0.568726 0.004295 0.250800 O\n",
"nsites": 84,
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"elements": [
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"Si",
"O"
],
"chemical_system": "Cs-O-Si-Tl",
"density": 4.987655485524905,
"density_atomic": 0.023825440669974073,
"volume": 3525.6430789068554,
"volume_molar": 25.276093917496272,
"formula_full": "Cs40 Tl24 Si4 O16",
"formula_reduced": "Cs10Tl6SiO4",
"formula_anonymous": "AB4C6D10",
"energy": -279.82217236,
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"updated_at": "2021-11-28T01:36:27.152000Z",
"spacegroup": 14
},
{
"id": "mp-860790",
"created_at": "2022-09-04T14:44:20.440028Z",
"structure_string": "Li12 V4 F20\n1.0\n6.633635 0.000000 0.000000\n0.000000 7.889068 0.000000\n0.000000 0.000000 8.106781\nLi V F\n12 4 20\ndirect\n0.983596 0.926294 0.227976 Li\n0.983596 0.573706 0.227976 Li\n0.791678 0.250000 0.527757 Li\n0.708322 0.750000 0.027757 Li\n0.516404 0.426294 0.727976 Li\n0.516404 0.073706 0.727976 Li\n0.483596 0.926294 0.272024 Li\n0.483596 0.573706 0.272024 Li\n0.291678 0.250000 0.972243 Li\n0.208322 0.750000 0.472243 Li\n0.016404 0.073706 0.772024 Li\n0.016404 0.426294 0.772024 Li\n0.770823 0.750000 0.602113 V\n0.729177 0.250000 0.102113 V\n0.270823 0.750000 0.897887 V\n0.229177 0.250000 0.397887 V\n0.993836 0.250000 0.955621 F\n0.926386 0.750000 0.378485 F\n0.920004 0.250000 0.312342 F\n0.777124 0.483377 0.640983 F\n0.777124 0.016623 0.640983 F\n0.722876 0.983377 0.140983 F\n0.722876 0.516623 0.140983 F\n0.579996 0.750000 0.812342 F\n0.573614 0.250000 0.878485 F\n0.506164 0.750000 0.455621 F\n0.493836 0.250000 0.544379 F\n0.426386 0.750000 0.121515 F\n0.420004 0.250000 0.187658 F\n0.277124 0.483377 0.859017 F\n0.277124 0.016623 0.859017 F\n0.222876 0.983377 0.359017 F\n0.222876 0.516623 0.359017 F\n0.079996 0.750000 0.687658 F\n0.073614 0.250000 0.621515 F\n0.006164 0.750000 0.044379 F\n",
"nsites": 36,
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"elements": [
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],
"chemical_system": "F-Li-V",
"density": 2.610755427147922,
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"volume": 424.25377199059835,
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"formula_full": "Li12 V4 F20",
"formula_reduced": "Li3VF5",
"formula_anonymous": "AB3C5",
"energy": -207.56777448,
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"updated_at": "2021-11-28T01:36:21.939000Z",
"spacegroup": 62
},
{
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"structure_string": "Cs8 Mg8 W12 O48\n1.0\n11.129281 0.000000 0.000000\n0.000000 11.129281 0.000000\n0.000000 0.000000 11.129281\nCs Mg W O\n8 8 12 48\ndirect\n0.542294 0.957706 0.042294 Cs\n0.957706 0.042294 0.542294 Cs\n0.457706 0.457706 0.457706 Cs\n0.042294 0.542294 0.957706 Cs\n0.677977 0.677977 0.677977 Cs\n0.322023 0.177977 0.822023 Cs\n0.177977 0.822023 0.322023 Cs\n0.822023 0.322023 0.177977 Cs\n0.613501 0.113501 0.386499 Mg\n0.113501 0.386499 0.613501 Mg\n0.386499 0.613501 0.113501 Mg\n0.886499 0.886499 0.886499 Mg\n0.837149 0.662851 0.337149 Mg\n0.662851 0.337149 0.837149 Mg\n0.162851 0.162851 0.162851 Mg\n0.337149 0.837149 0.662851 Mg\n0.526132 0.801308 0.376005 W\n0.623995 0.026132 0.698692 W\n0.301308 0.123995 0.473868 W\n0.026132 0.698692 0.623995 W\n0.123995 0.473868 0.301308 W\n0.801308 0.376005 0.526132 W\n0.473868 0.301308 0.123995 W\n0.376005 0.526132 0.801308 W\n0.698692 0.623995 0.026132 W\n0.973868 0.198692 0.876005 W\n0.876005 0.973868 0.198692 W\n0.198692 0.876005 0.973868 W\n0.678788 0.748028 0.395598 O\n0.604402 0.178788 0.751972 O\n0.248028 0.104402 0.321212 O\n0.178788 0.751972 0.604402 O\n0.104402 0.321212 0.248028 O\n0.748028 0.395598 0.678788 O\n0.321212 0.248028 0.104402 O\n0.395598 0.678788 0.748028 O\n0.751972 0.604402 0.178788 O\n0.821212 0.251972 0.895598 O\n0.895598 0.821212 0.251972 O\n0.251972 0.895598 0.821212 O\n0.445757 0.778780 0.516324 O\n0.483676 0.945757 0.721220 O\n0.278780 0.983676 0.554243 O\n0.945757 0.721220 0.483676 O\n0.983676 0.554243 0.278780 O\n0.778780 0.516324 0.445757 O\n0.554243 0.278780 0.983676 O\n0.516324 0.445757 0.778780 O\n0.721220 0.483676 0.945757 O\n0.054243 0.221220 0.016324 O\n0.016324 0.054243 0.221220 O\n0.221220 0.016324 0.054243 O\n0.521169 0.957761 0.329097 O\n0.670903 0.021169 0.542239 O\n0.457761 0.170903 0.478831 O\n0.021169 0.542239 0.670903 O\n0.170903 0.478831 0.457761 O\n0.957761 0.329097 0.521169 O\n0.478831 0.457761 0.170903 O\n0.329097 0.521169 0.957761 O\n0.542239 0.670903 0.021169 O\n0.978831 0.042239 0.829097 O\n0.829097 0.978831 0.042239 O\n0.042239 0.829097 0.978831 O\n0.448576 0.713523 0.262284 O\n0.737716 0.948576 0.786477 O\n0.213523 0.237716 0.551424 O\n0.948576 0.786477 0.737716 O\n0.237716 0.551424 0.213523 O\n0.713523 0.262284 0.448576 O\n0.551424 0.213523 0.237716 O\n0.262284 0.448576 0.713523 O\n0.786477 0.737716 0.948576 O\n0.051424 0.286477 0.762284 O\n0.762284 0.051424 0.286477 O\n0.286477 0.762284 0.051424 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Cs",
"Mg",
"W",
"O"
],
"chemical_system": "Cs-Mg-O-W",
"density": 5.097605446946929,
"density_atomic": 0.05513308172101846,
"volume": 1378.4827117876564,
"volume_molar": 10.92291700738392,
"formula_full": "Cs8 Mg8 W12 O48",
"formula_reduced": "Cs2Mg2(WO4)3",
"formula_anonymous": "A2B2C3D12",
"energy": -596.94678583,
"energy_per_atom": -7.8545629714473675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -510.71478583,
"band_gap": 4.659,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0059432,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:28.481000Z",
"spacegroup": 198
},
{
"id": "mp-1079889",
"created_at": "2022-09-04T14:44:25.113484Z",
"structure_string": "Zn1 Ag2 Sn1 S4\n1.0\n-2.788893 2.788893 6.083192\n2.788893 -2.788893 6.083192\n2.788893 2.788893 -6.083192\nZn Ag Sn S\n1 2 1 4\ndirect\n0.000000 0.000000 0.000000 Zn\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n0.500000 0.500000 0.000000 Sn\n0.639480 0.128911 0.000000 S\n0.128911 0.639480 0.000000 S\n0.360520 0.360520 0.489431 S\n0.871089 0.871089 0.510569 S\n",
"nsites": 8,
"nelements": 4,
"elements": [
"Zn",
"Ag",
"Sn",
"S"
],
"chemical_system": "Ag-S-Sn-Zn",
"density": 4.633644483182918,
"density_atomic": 0.04227024520651082,
"volume": 189.25842423946415,
"volume_molar": 14.246760884823113,
"formula_full": "Zn1 Ag2 Sn1 S4",
"formula_reduced": "ZnAg2SnS4",
"formula_anonymous": "ABC2D4",
"energy": -32.47279334,
"energy_per_atom": -4.0590991675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.46079334,
"band_gap": 0.2181999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005163,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.082000Z",
"spacegroup": 121
}
]
}