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{
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"results": [
{
"id": "mp-1191950",
"created_at": "2022-09-04T14:39:06.117780Z",
"structure_string": "Tm4 Ni13 C4\n1.0\n0.000000 0.000000 3.825013\n5.964944 5.816299 0.000000\n-5.964944 5.816299 0.000000\nTm Ni C\n4 13 4\ndirect\n0.500000 0.186363 0.813637 Tm\n0.500000 0.813637 0.186363 Tm\n0.500000 0.651507 0.651507 Tm\n0.500000 0.348493 0.348493 Tm\n0.500000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.783930 0.430102 Ni\n0.000000 0.216070 0.569898 Ni\n0.000000 0.569898 0.216070 Ni\n0.000000 0.430102 0.783930 Ni\n0.000000 0.924819 0.708736 Ni\n0.000000 0.075181 0.291264 Ni\n0.000000 0.291264 0.075181 Ni\n0.000000 0.708736 0.924819 Ni\n0.500000 0.875865 0.875865 Ni\n0.500000 0.124135 0.124135 Ni\n0.000000 0.556849 0.443151 C\n0.000000 0.443151 0.556849 C\n0.000000 0.000000 0.500000 C\n0.000000 0.500000 0.000000 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
"Tm",
"Ni",
"C"
],
"chemical_system": "C-Ni-Tm",
"density": 9.302160835823669,
"density_atomic": 0.0791230989255252,
"volume": 265.4092203816018,
"volume_molar": 7.611103257808891,
"formula_full": "Tm4 Ni13 C4",
"formula_reduced": "Tm4Ni13C4",
"formula_anonymous": "A4B4C13",
"energy": -137.52910561,
"energy_per_atom": -6.549005029047619,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.52910561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054211,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:26.043000Z",
"spacegroup": 65
},
{
"id": "mp-863728",
"created_at": "2022-09-04T14:41:52.250234Z",
"structure_string": "Ho4 Ni13 C4\n1.0\n5.829524 -5.957797 0.000000\n5.829524 5.957797 0.000000\n0.000000 0.000000 3.835364\nHo Ni C\n4 13 4\ndirect\n0.348695 0.348695 0.500000 Ho\n0.651305 0.651305 0.500000 Ho\n0.813141 0.186859 0.500000 Ho\n0.186859 0.813141 0.500000 Ho\n0.000000 0.000000 0.000000 Ni\n0.215699 0.569576 0.000000 Ni\n0.784301 0.430424 0.000000 Ni\n0.430424 0.784301 0.000000 Ni\n0.569576 0.215699 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.074692 0.291381 0.000000 Ni\n0.925308 0.708619 0.000000 Ni\n0.708619 0.925308 0.000000 Ni\n0.291381 0.074692 0.000000 Ni\n0.123985 0.123985 0.500000 Ni\n0.876015 0.876015 0.500000 Ni\n0.443238 0.556762 0.000000 C\n0.556762 0.443238 0.000000 C\n0.000000 0.500000 0.000000 C\n0.500000 0.000000 0.000000 C\n",
"nsites": 21,
"nelements": 3,
"elements": [
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"Ni",
"C"
],
"chemical_system": "C-Ho-Ni",
"density": 9.167289068074771,
"density_atomic": 0.0788249884045955,
"volume": 266.4129792472726,
"volume_molar": 7.639887911038259,
"formula_full": "Ho4 Ni13 C4",
"formula_reduced": "Ho4Ni13C4",
"formula_anonymous": "A4B4C13",
"energy": -137.7274716,
"energy_per_atom": -6.558451028571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.7274716,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0033202,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:25.731000Z",
"spacegroup": 65
},
{
"id": "mp-768078",
"created_at": "2022-09-04T14:40:35.818785Z",
"structure_string": "Cr8 Si8 O26\n1.0\n6.978757 0.000000 0.000000\n1.426275 7.646843 0.000000\n1.279244 3.635379 9.176351\nCr Si O\n8 8 26\ndirect\n0.571850 0.197947 0.992582 Cr\n0.925438 0.806866 0.008683 Cr\n0.062262 0.559125 0.620091 Cr\n0.562255 0.548732 0.628123 Cr\n0.437745 0.451268 0.371877 Cr\n0.937738 0.440875 0.379909 Cr\n0.074562 0.193134 0.991317 Cr\n0.428150 0.802053 0.007418 Cr\n0.262414 0.579652 0.833083 Si\n0.716722 0.855488 0.718500 Si\n0.369343 0.147285 0.711033 Si\n0.927738 0.165544 0.701496 Si\n0.072262 0.834456 0.298504 Si\n0.630657 0.852715 0.288967 Si\n0.283278 0.144512 0.281500 Si\n0.737586 0.420348 0.166917 Si\n0.090716 0.449767 0.846866 O\n0.197055 0.722115 0.922443 O\n0.490152 0.464143 0.850381 O\n0.742827 0.767984 0.893415 O\n0.354797 0.103271 0.889131 O\n0.897759 0.102008 0.879929 O\n0.448353 0.342765 0.602515 O\n0.843291 0.388013 0.607262 O\n0.285833 0.679512 0.651119 O\n0.750756 0.705607 0.640264 O\n0.157156 0.164094 0.658472 O\n0.492698 0.961392 0.690174 O\n0.856258 0.020825 0.644735 O\n0.143742 0.979175 0.355265 O\n0.507302 0.038608 0.309826 O\n0.842844 0.835906 0.341528 O\n0.249244 0.294393 0.359736 O\n0.714167 0.320488 0.348881 O\n0.156709 0.611987 0.392738 O\n0.551647 0.657235 0.397485 O\n0.102241 0.897992 0.120071 O\n0.645203 0.896729 0.110869 O\n0.257173 0.232016 0.106585 O\n0.509848 0.535857 0.149619 O\n0.802945 0.277885 0.077557 O\n0.909284 0.550233 0.153134 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-O-Si",
"density": 3.582982826564168,
"density_atomic": 0.08576676375267937,
"volume": 489.7001841075986,
"volume_molar": 7.021531997366366,
"formula_full": "Cr8 Si8 O26",
"formula_reduced": "Cr4Si4O13",
"formula_anonymous": "A4B4C13",
"energy": -363.81032559,
"energy_per_atom": -8.662150609285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -329.95632559,
"band_gap": 1.1174000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.999728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.204000Z",
"spacegroup": 2
},
{
"id": "mp-1197409",
"created_at": "2022-09-04T14:47:20.548105Z",
"structure_string": "Ga8 Si24 H276 C110 S8\n1.0\n11.040693 6.374340 11.480218\n-11.040690 6.374348 11.480210\n0.000008 -12.748690 11.480215\nGa Si H C S\n8 24 276 110 8\ndirect\n0.291927 0.128062 0.267725 Ga\n0.128076 0.267724 0.291912 Ga\n0.267737 0.291913 0.128063 Ga\n0.708073 0.871938 0.732275 Ga\n0.871924 0.732276 0.708088 Ga\n0.732263 0.708087 0.871937 Ga\n0.309200 0.309184 0.309186 Ga\n0.690800 0.690816 0.690814 Ga\n0.450242 0.987158 0.271788 Si\n0.987161 0.271787 0.450240 Si\n0.271788 0.450241 0.987159 Si\n0.549758 0.012842 0.728212 Si\n0.012839 0.728213 0.549760 Si\n0.728212 0.549759 0.012841 Si\n0.294928 0.958118 0.392711 Si\n0.958120 0.392710 0.294927 Si\n0.392712 0.294928 0.958117 Si\n0.705072 0.041882 0.607289 Si\n0.041880 0.607290 0.705073 Si\n0.607288 0.705072 0.041883 Si\n0.299787 0.953873 0.209587 Si\n0.953875 0.209586 0.299786 Si\n0.209588 0.299786 0.953874 Si\n0.700213 0.046127 0.790413 Si\n0.046125 0.790414 0.700214 Si\n0.790412 0.700214 0.046126 Si\n0.419264 0.451022 0.295839 Si\n0.451027 0.295839 0.419261 Si\n0.295844 0.419258 0.451020 Si\n0.580736 0.548978 0.704161 Si\n0.548973 0.704161 0.580739 Si\n0.704156 0.580742 0.548980 Si\n0.479202 0.965269 0.126908 H\n0.965269 0.126908 0.479202 H\n0.126908 0.479202 0.965269 H\n0.520798 0.034731 0.873092 H\n0.034731 0.873092 0.520798 H\n0.873092 0.520798 0.034731 H\n0.484393 0.065786 0.137026 H\n0.065786 0.137025 0.484393 H\n0.137026 0.484393 0.065786 H\n0.515607 0.934214 0.862974 H\n0.934214 0.862975 0.515607 H\n0.862974 0.515607 0.934214 H\n0.562619 0.987895 0.162104 H\n0.987895 0.162104 0.562619 H\n0.162104 0.562619 0.987895 H\n0.437381 0.012105 0.837896 H\n0.012105 0.837896 0.437381 H\n0.837896 0.437381 0.012105 H\n0.476134 0.048278 0.386772 H\n0.048278 0.386771 0.476133 H\n0.386771 0.476134 0.048277 H\n0.523866 0.951722 0.613228 H\n0.951722 0.613229 0.523867 H\n0.613229 0.523866 0.951723 H\n0.560744 0.035339 0.312116 H\n0.035339 0.312116 0.560744 H\n0.312116 0.560744 0.035339 H\n0.439256 0.964661 0.687884 H\n0.964661 0.687884 0.439256 H\n0.687884 0.439256 0.964661 H\n0.483378 0.116649 0.295580 H\n0.116650 0.295580 0.483377 H\n0.295580 0.483378 0.116650 H\n0.516622 0.883351 0.704420 H\n0.883350 0.704420 0.516623 H\n0.704420 0.516622 0.883350 H\n0.474725 0.865449 0.376730 H\n0.865450 0.376730 0.474724 H\n0.376730 0.474725 0.865449 H\n0.525275 0.134551 0.623270 H\n0.134550 0.623270 0.525276 H\n0.623270 0.525275 0.134551 H\n0.482916 0.835790 0.281112 H\n0.835792 0.281112 0.482915 H\n0.281112 0.482915 0.835791 H\n0.517084 0.164210 0.718888 H\n0.164208 0.718888 0.517085 H\n0.718888 0.517085 0.164209 H\n0.559538 0.880900 0.304730 H\n0.880902 0.304729 0.559536 H\n0.304729 0.559537 0.880901 H\n0.440462 0.119100 0.695270 H\n0.119098 0.695271 0.440464 H\n0.695271 0.440463 0.119099 H\n0.346674 0.042380 0.472940 H\n0.042380 0.472940 0.346674 H\n0.472939 0.346675 0.042380 H\n0.653326 0.957620 0.527060 H\n0.957620 0.527060 0.653326 H\n0.527061 0.653325 0.957620 H\n0.317051 0.953316 0.530878 H\n0.953315 0.530878 0.317051 H\n0.530878 0.317051 0.953316 H\n0.682949 0.046684 0.469122 H\n0.046685 0.469122 0.682949 H\n0.469122 0.682949 0.046684 H\n0.411052 0.949451 0.468559 H\n0.949450 0.468559 0.411051 H\n0.468559 0.411052 0.949451 H\n0.588948 0.050549 0.531441 H\n0.050550 0.531441 0.588949 H\n0.531441 0.588948 0.050549 H\n0.174882 0.059600 0.422933 H\n0.059601 0.422933 0.174882 H\n0.422933 0.174882 0.059599 H\n0.825118 0.940400 0.577067 H\n0.940399 0.577067 0.825118 H\n0.577067 0.825118 0.940401 H\n0.146973 0.977023 0.389090 H\n0.977024 0.389090 0.146972 H\n0.389090 0.146973 0.977023 H\n0.853027 0.022977 0.610910 H\n0.022976 0.610910 0.853028 H\n0.610910 0.853027 0.022977 H\n0.171103 0.967169 0.487415 H\n0.967170 0.487415 0.171102 H\n0.487415 0.171102 0.967169 H\n0.828897 0.032831 0.512585 H\n0.032830 0.512585 0.828898 H\n0.512585 0.828898 0.032831 H\n0.269909 0.824908 0.364619 H\n0.824909 0.364618 0.269909 H\n0.364619 0.269909 0.824908 H\n0.730091 0.175092 0.635381 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H\n0.997208 0.240657 0.151837 H\n0.240657 0.151837 0.997208 H\n0.848162 0.002792 0.759343 H\n0.002792 0.759343 0.848163 H\n0.759343 0.848163 0.002792 H\n0.176056 0.916850 0.183751 H\n0.916850 0.183751 0.176055 H\n0.183751 0.176055 0.916850 H\n0.823944 0.083150 0.816249 H\n0.083150 0.816249 0.823945 H\n0.816249 0.823945 0.083150 H\n0.178339 0.897653 0.288297 H\n0.897653 0.288297 0.178339 H\n0.288297 0.178338 0.897653 H\n0.821661 0.102347 0.711703 H\n0.102347 0.711703 0.821661 H\n0.711703 0.821662 0.102347 H\n0.419770 0.848474 0.179169 H\n0.848474 0.179169 0.419770 H\n0.179170 0.419770 0.848474 H\n0.580230 0.151526 0.820831 H\n0.151526 0.820831 0.580230 H\n0.820830 0.580230 0.151526 H\n0.345495 0.805247 0.251014 H\n0.805249 0.251014 0.345495 H\n0.251014 0.345495 0.805248 H\n0.654505 0.194753 0.748986 H\n0.194751 0.748986 0.654505 H\n0.748986 0.654505 0.194752 H\n0.331409 0.831097 0.149382 H\n0.831099 0.149382 0.331409 H\n0.149382 0.331409 0.831099 H\n0.668591 0.168903 0.850618 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C\n0.946237 0.677847 0.504555 C\n0.677847 0.504554 0.946238 C\n0.494162 0.882051 0.312714 C\n0.882053 0.312714 0.494160 C\n0.312714 0.494161 0.882052 C\n0.505838 0.117949 0.687286 C\n0.117947 0.687286 0.505840 C\n0.687286 0.505839 0.117948 C\n0.348543 0.978209 0.472778 C\n0.978208 0.472778 0.348543 C\n0.472778 0.348543 0.978208 C\n0.651457 0.021791 0.527222 C\n0.021792 0.527222 0.651457 C\n0.527222 0.651457 0.021792 C\n0.186419 0.994486 0.424837 C\n0.994486 0.424838 0.186418 C\n0.424837 0.186419 0.994485 C\n0.813581 0.005514 0.575163 C\n0.005514 0.575162 0.813582 C\n0.575163 0.813581 0.005515 C\n0.301811 0.845256 0.405655 C\n0.845257 0.405654 0.301810 C\n0.405656 0.301810 0.845255 C\n0.698189 0.154744 0.594345 C\n0.154743 0.594346 0.698190 C\n0.594344 0.698190 0.154745 C\n0.311898 0.010627 0.105532 C\n0.010629 0.105532 0.311897 C\n0.105534 0.311897 0.010629 C\n0.688102 0.989373 0.894468 C\n0.989371 0.894468 0.688103 C\n0.894466 0.688103 0.989371 C\n0.191179 0.940495 0.234158 C\n0.940495 0.234157 0.191178 C\n0.234158 0.191178 0.940495 C\n0.808821 0.059505 0.765842 C\n0.059505 0.765843 0.808822 C\n0.765842 0.808822 0.059505 C\n0.355239 0.849911 0.197829 C\n0.849913 0.197829 0.355239 C\n0.197828 0.355240 0.849912 C\n0.644761 0.150089 0.802171 C\n0.150087 0.802171 0.644761 C\n0.802172 0.644760 0.150088 C\n0.369608 0.369599 0.369600 C\n0.630392 0.630401 0.630400 C\n0.346483 0.542787 0.267288 C\n0.542793 0.267286 0.346480 C\n0.267288 0.346481 0.542788 C\n0.653517 0.457213 0.732712 C\n0.457207 0.732714 0.653520 C\n0.732712 0.653519 0.457212 C\n0.469426 0.413892 0.200171 C\n0.413893 0.200172 0.469424 C\n0.200175 0.469423 0.413891 C\n0.530574 0.586108 0.799829 C\n0.586107 0.799828 0.530576 C\n0.799825 0.530577 0.586109 C\n0.500747 0.489464 0.333800 C\n0.489466 0.333801 0.500745 C\n0.333802 0.500744 0.489462 C\n0.499253 0.510536 0.666200 C\n0.510534 0.666199 0.499255 C\n0.666198 0.499256 0.510538 C\n0.058458 0.677100 0.143335 C\n0.677097 0.143337 0.058456 C\n0.143335 0.058458 0.677100 C\n0.941542 0.322900 0.856665 C\n0.322903 0.856663 0.941544 C\n0.856665 0.941542 0.322900 C\n0.134057 0.644061 0.183147 C\n0.644062 0.183145 0.134058 C\n0.183147 0.134057 0.644061 C\n0.865943 0.355939 0.816853 C\n0.355938 0.816855 0.865942 C\n0.816853 0.865943 0.355939 C\n0.135432 0.697307 0.247142 C\n0.697309 0.247141 0.135432 C\n0.247142 0.135431 0.697308 C\n0.864568 0.302693 0.752858 C\n0.302691 0.752859 0.864568 C\n0.752858 0.864569 0.302692 C\n0.055359 0.755419 0.253054 C\n0.755416 0.253056 0.055358 C\n0.253054 0.055358 0.755419 C\n0.944641 0.244581 0.746946 C\n0.244584 0.746944 0.944642 C\n0.746946 0.944642 0.244581 C\n0.002647 0.731177 0.199260 C\n0.731183 0.199256 0.002648 C\n0.199259 0.002647 0.731177 C\n0.997353 0.268823 0.800740 C\n0.268817 0.800744 0.997352 C\n0.800741 0.997353 0.268823 C\n0.187001 0.186990 0.186989 S\n0.812999 0.813010 0.813011 S\n0.229923 0.205273 0.375127 S\n0.205290 0.375126 0.229906 S\n0.375140 0.229907 0.205273 S\n0.770077 0.794727 0.624873 S\n0.794710 0.624874 0.770094 S\n0.624860 0.770093 0.794727 S\n",
"nsites": 426,
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"elements": [
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],
"chemical_system": "C-Ga-H-S-Si",
"density": 1.0576806732473845,
"density_atomic": 0.08787726561304585,
"volume": 4847.670179860012,
"volume_molar": 6.8528995730449545,
"formula_full": "Ga8 Si24 H276 C110 S8",
"formula_reduced": "Ga4Si12H138C55S4",
"formula_anonymous": "A4B4C12D55E138",
"energy": -2227.69903371,
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"updated_at": "2021-11-28T01:38:06.230000Z",
"spacegroup": 148
},
{
"id": "mp-1203087",
"created_at": "2022-09-04T14:45:59.653879Z",
"structure_string": "Ga4 Hg11 P4 Cl16\n1.0\n3.828256 6.638447 0.000000\n-3.828256 6.638447 0.000000\n0.000000 4.200124 22.181444\nGa Hg P Cl\n4 11 4 16\ndirect\n0.630798 0.630798 0.613300 Ga\n0.369202 0.369202 0.386700 Ga\n0.211820 0.211820 0.884539 Ga\n0.788180 0.788180 0.115461 Ga\n0.521845 0.521845 0.939890 Hg\n0.478155 0.478155 0.060110 Hg\n0.961100 0.961100 0.620321 Hg\n0.038900 0.038900 0.379679 Hg\n0.000000 0.000000 0.500000 Hg\n0.744368 0.744368 0.780728 Hg\n0.255632 0.255632 0.219272 Hg\n0.244088 0.744386 0.779976 Hg\n0.744386 0.244088 0.779976 Hg\n0.755912 0.255614 0.220024 Hg\n0.255614 0.755912 0.220024 Hg\n0.562820 0.562820 0.826367 P\n0.437180 0.437180 0.173633 P\n0.924881 0.924881 0.734883 P\n0.075119 0.075119 0.265117 P\n0.243307 0.243307 0.784660 Cl\n0.756693 0.756693 0.215340 Cl\n0.044458 0.044458 0.914526 Cl\n0.955542 0.955542 0.085474 Cl\n0.463825 0.928114 0.651532 Cl\n0.928114 0.463825 0.651532 Cl\n0.536175 0.071886 0.348468 Cl\n0.071886 0.536175 0.348468 Cl\n0.464049 0.464049 0.651516 Cl\n0.535951 0.535951 0.348484 Cl\n0.044438 0.519241 0.914034 Cl\n0.519241 0.044438 0.914034 Cl\n0.955562 0.480759 0.085966 Cl\n0.480759 0.955562 0.085966 Cl\n0.660652 0.660652 0.515674 Cl\n0.339348 0.339348 0.484326 Cl\n",
"nsites": 35,
"nelements": 4,
"elements": [
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"P",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-P",
"density": 4.678580504856417,
"density_atomic": 0.03104422121478221,
"volume": 1127.4239981041683,
"volume_molar": 19.39858860795793,
"formula_full": "Ga4 Hg11 P4 Cl16",
"formula_reduced": "Ga4Hg11(PCl4)4",
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"energy": -101.24170663,
"energy_per_atom": -2.8926201894285715,
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"updated_at": "2021-11-28T01:37:16.225000Z",
"spacegroup": 12
},
{
"id": "mp-669455",
"created_at": "2022-09-04T14:44:56.067432Z",
"structure_string": "Ga4 Hg11 As4 Br16\n1.0\n3.926782 6.889505 0.000000\n-3.926782 6.889505 0.000000\n0.000000 3.503484 23.059038\nGa Hg As Br\n4 11 4 16\ndirect\n0.638708 0.638708 0.109598 Ga\n0.361292 0.361292 0.890402 Ga\n0.759197 0.759197 0.614012 Ga\n0.240803 0.240803 0.385988 Ga\n0.031648 0.031648 0.883606 Hg\n0.766476 0.766476 0.283013 Hg\n0.470815 0.470815 0.557335 Hg\n0.732998 0.235006 0.720778 Hg\n0.267002 0.764994 0.279222 Hg\n0.764994 0.267002 0.279222 Hg\n0.235006 0.732998 0.720778 Hg\n0.529185 0.529185 0.442665 Hg\n0.968352 0.968352 0.116394 Hg\n0.000000 0.000000 0.000000 Hg\n0.233524 0.233524 0.716987 Hg\n0.942862 0.942862 0.231397 As\n0.057138 0.057138 0.768603 As\n0.586412 0.586412 0.330064 As\n0.413588 0.413588 0.669936 As\n0.533536 0.049245 0.850832 Br\n0.071395 0.071395 0.420715 Br\n0.531091 0.531091 0.851060 Br\n0.434126 0.930018 0.584936 Br\n0.737534 0.737534 0.716675 Br\n0.337039 0.337039 0.990917 Br\n0.466464 0.950755 0.149168 Br\n0.950755 0.466464 0.149168 Br\n0.468909 0.468909 0.148940 Br\n0.565874 0.069982 0.415064 Br\n0.662961 0.662961 0.009083 Br\n0.930018 0.434126 0.584936 Br\n0.262466 0.262466 0.283325 Br\n0.069982 0.565874 0.415064 Br\n0.928605 0.928605 0.579285 Br\n0.049245 0.533536 0.850832 Br\n",
"nsites": 35,
"nelements": 4,
"elements": [
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"As",
"Br"
],
"chemical_system": "As-Br-Ga-Hg",
"density": 5.408250915415627,
"density_atomic": 0.02805253109646781,
"volume": 1247.6592532645643,
"volume_molar": 21.467370410501992,
"formula_full": "Ga4 Hg11 As4 Br16",
"formula_reduced": "Ga4Hg11(AsBr4)4",
"formula_anonymous": "A4B4C11D16",
"energy": -87.76678427,
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"updated_at": "2021-11-28T01:36:44.775000Z",
"spacegroup": 12
},
{
"id": "mp-758462",
"created_at": "2022-09-04T14:44:24.571953Z",
"structure_string": "La8 Mn8 O22\n1.0\n7.992346 0.000000 0.000000\n0.000000 7.964390 0.000000\n0.000000 7.742607 8.211147\nLa Mn O\n8 8 22\ndirect\n0.991693 0.044921 0.989230 La\n0.989906 0.552034 0.968609 La\n0.010094 0.552034 0.468609 La\n0.483662 0.933952 0.533125 La\n0.008307 0.044921 0.489230 La\n0.513620 0.463341 0.515034 La\n0.486380 0.463341 0.015034 La\n0.516338 0.933952 0.033125 La\n0.242222 0.501261 0.749576 Mn\n0.748745 0.500606 0.749740 Mn\n0.249167 0.000484 0.749735 Mn\n0.750919 0.002049 0.750195 Mn\n0.249081 0.002049 0.250195 Mn\n0.750833 0.000484 0.249735 Mn\n0.251255 0.500606 0.249740 Mn\n0.757778 0.501261 0.249576 Mn\n0.199163 0.302212 0.983399 O\n0.792157 0.300590 0.005911 O\n0.012132 0.453025 0.721805 O\n0.482308 0.511544 0.783957 O\n0.297053 0.667220 0.521194 O\n0.689728 0.735311 0.494313 O\n0.209622 0.807624 0.692059 O\n0.797644 0.800117 0.709329 O\n0.202356 0.800117 0.209329 O\n0.790378 0.807624 0.192059 O\n0.996196 0.973753 0.813762 O\n0.003804 0.973753 0.313762 O\n0.504475 0.036470 0.691726 O\n0.495525 0.036470 0.191726 O\n0.697284 0.195285 0.797502 O\n0.302716 0.195285 0.297502 O\n0.207843 0.300590 0.505911 O\n0.800837 0.302212 0.483399 O\n0.987868 0.453025 0.221805 O\n0.517692 0.511544 0.283957 O\n0.702947 0.667220 0.021194 O\n0.310272 0.735311 0.994313 O\n",
"nsites": 38,
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"elements": [
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],
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"density": 6.045006382279943,
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"volume": 522.6736695110585,
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"formula_full": "La8 Mn8 O22",
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"energy": -334.24080178,
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"updated_at": "2021-11-28T01:36:37.076000Z",
"spacegroup": 7
},
{
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