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{
"id": "mp-1199040",
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"structure_string": "K12 Bi8 N36 O108\n1.0\n13.705758 0.000000 0.000000\n-0.000000 13.705758 -0.000000\n-0.000000 0.000000 13.705758\nK Bi N O\n12 8 36 108\ndirect\n0.188116 0.061884 0.625000 K\n0.811884 0.561884 0.875000 K\n0.561884 0.875000 0.811884 K\n0.438116 0.375000 0.688116 K\n0.375000 0.688116 0.438116 K\n0.625000 0.188116 0.061884 K\n0.688116 0.438116 0.375000 K\n0.311884 0.938116 0.125000 K\n0.061884 0.625000 0.188116 K\n0.938116 0.125000 0.311884 K\n0.875000 0.811884 0.561884 K\n0.125000 0.311884 0.938116 K\n0.545665 0.045665 0.454335 Bi\n0.454335 0.545665 0.045665 Bi\n0.045665 0.454335 0.545665 Bi\n0.954335 0.954335 0.954335 Bi\n0.204335 0.704335 0.795665 Bi\n0.704335 0.795665 0.204335 Bi\n0.795665 0.204335 0.704335 Bi\n0.295665 0.295665 0.295665 Bi\n0.375000 0.516065 0.266065 N\n0.625000 0.016065 0.233935 N\n0.016065 0.233935 0.625000 N\n0.983935 0.733935 0.875000 N\n0.733935 0.875000 0.983935 N\n0.266065 0.375000 0.516065 N\n0.875000 0.983935 0.733935 N\n0.125000 0.483935 0.766065 N\n0.516065 0.266065 0.375000 N\n0.483935 0.766065 0.125000 N\n0.233935 0.625000 0.016065 N\n0.766065 0.125000 0.483935 N\n0.397252 0.914236 0.362554 N\n0.602748 0.414236 0.137446 N\n0.414236 0.137446 0.602748 N\n0.585764 0.637446 0.897252 N\n0.637446 0.897252 0.585764 N\n0.362554 0.397252 0.914236 N\n0.897252 0.585764 0.637446 N\n0.102748 0.085764 0.862554 N\n0.914236 0.362554 0.397252 N\n0.085764 0.862554 0.102748 N\n0.137446 0.602748 0.414236 N\n0.862554 0.102748 0.085764 N\n0.335764 0.852748 0.887446 N\n0.835764 0.647252 0.112554 N\n0.664236 0.352748 0.612554 N\n0.164236 0.147252 0.387446 N\n0.647252 0.112554 0.835764 N\n0.352748 0.612554 0.664236 N\n0.852748 0.887446 0.335764 N\n0.147252 0.387446 0.164236 N\n0.112554 0.835764 0.647252 N\n0.612554 0.664236 0.352748 N\n0.887446 0.335764 0.852748 N\n0.387446 0.164236 0.147252 N\n0.339554 0.496339 0.348165 O\n0.660446 0.996339 0.151835 O\n0.996339 0.151835 0.660446 O\n0.003661 0.651835 0.839554 O\n0.651835 0.839554 0.003661 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O\n0.391002 0.059978 0.554703 O\n0.608998 0.559978 0.945297 O\n0.559978 0.945297 0.608998 O\n0.440022 0.445297 0.891002 O\n0.945297 0.608998 0.559978 O\n0.054703 0.108998 0.940022 O\n0.891002 0.440022 0.445297 O\n0.108998 0.940022 0.054703 O\n0.059978 0.554703 0.391002 O\n0.940022 0.054703 0.108998 O\n0.358998 0.804703 0.809978 O\n0.858998 0.695297 0.190022 O\n0.641002 0.304703 0.690022 O\n0.141002 0.195297 0.309978 O\n0.695297 0.190022 0.858998 O\n0.304703 0.690022 0.641002 O\n0.804703 0.809978 0.358998 O\n0.195297 0.309978 0.141002 O\n0.190022 0.858998 0.695297 O\n0.690022 0.641002 0.304703 O\n0.809978 0.358998 0.804703 O\n0.309978 0.141002 0.195297 O\n0.337633 0.856854 0.325550 O\n0.662367 0.356854 0.174450 O\n0.356854 0.174450 0.662367 O\n0.643146 0.674450 0.837633 O\n0.674450 0.837633 0.643146 O\n0.325550 0.337633 0.856854 O\n0.837633 0.643146 0.674450 O\n0.162367 0.143146 0.825550 O\n0.856854 0.325550 0.337633 O\n0.143146 0.825550 0.162367 O\n0.174450 0.662367 0.356854 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O\n0.076058 0.751915 0.663974 O\n0.576058 0.748085 0.336026 O\n0.923942 0.251915 0.836026 O\n0.423942 0.248085 0.163974 O\n",
"nsites": 164,
"nelements": 4,
"elements": [
"K",
"Bi",
"N",
"O"
],
"chemical_system": "Bi-K-N-O",
"density": 2.8205849194172368,
"density_atomic": 0.0636993015146886,
"volume": 2574.596519903484,
"volume_molar": 9.454013806746904,
"formula_full": "K12 Bi8 N36 O108",
"formula_reduced": "K3Bi2(NO3)9",
"formula_anonymous": "A2B3C9D27",
"energy": -1069.39037923,
"energy_per_atom": -6.520673044085366,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -995.19437923,
"band_gap": 3.6628,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:19.367000Z",
"spacegroup": 212
},
{
"id": "mp-1202074",
"created_at": "2022-09-04T14:39:35.592294Z",
"structure_string": "Tm22 Cd90\n1.0\n0.000000 10.877016 10.877016\n10.877016 0.000000 10.877016\n10.877016 10.877016 0.000000\nTm Cd\n22 90\ndirect\n0.000000 0.000000 0.000000 Tm\n0.013704 0.333791 0.638802 Tm\n0.013704 0.013704 0.638802 Tm\n0.333791 0.013704 0.638802 Tm\n0.013704 0.638802 0.333791 Tm\n0.333791 0.638802 0.013704 Tm\n0.013704 0.638802 0.013704 Tm\n0.638802 0.013704 0.013704 Tm\n0.638802 0.333791 0.013704 Tm\n0.638802 0.013704 0.333791 Tm\n0.333791 0.013704 0.013704 Tm\n0.013704 0.013704 0.333791 Tm\n0.013704 0.333791 0.013704 Tm\n0.250000 0.250000 0.250000 Tm\n0.406440 0.406440 0.780681 Tm\n0.406440 0.780681 0.406440 Tm\n0.780681 0.406440 0.406440 Tm\n0.406440 0.406440 0.406440 Tm\n0.661664 0.661664 0.015008 Tm\n0.661664 0.015008 0.661664 Tm\n0.015008 0.661664 0.661664 Tm\n0.661664 0.661664 0.661664 Tm\n0.083428 0.083428 0.749717 Cd\n0.083428 0.749717 0.083428 Cd\n0.749717 0.083428 0.083428 Cd\n0.083428 0.083428 0.083428 Cd\n0.913457 0.913457 0.259630 Cd\n0.913457 0.259630 0.913457 Cd\n0.259630 0.913457 0.913457 Cd\n0.913457 0.913457 0.913457 Cd\n0.155986 0.155986 0.844014 Cd\n0.844014 0.155986 0.844014 Cd\n0.155986 0.844014 0.844014 Cd\n0.844014 0.844014 0.155986 Cd\n0.155986 0.844014 0.155986 Cd\n0.844014 0.155986 0.155986 Cd\n0.390847 0.200895 0.017411 Cd\n0.390847 0.390847 0.017411 Cd\n0.200895 0.390847 0.017411 Cd\n0.390847 0.017411 0.200895 Cd\n0.200895 0.017411 0.390847 Cd\n0.390847 0.017411 0.390847 Cd\n0.017411 0.390847 0.390847 Cd\n0.017411 0.200895 0.390847 Cd\n0.017411 0.390847 0.200895 Cd\n0.200895 0.390847 0.390847 Cd\n0.390847 0.390847 0.200895 Cd\n0.390847 0.200895 0.390847 Cd\n0.163227 0.163227 0.510320 Cd\n0.163227 0.510320 0.163227 Cd\n0.510320 0.163227 0.163227 Cd\n0.163227 0.163227 0.163227 Cd\n0.263139 0.610504 0.863218 Cd\n0.263139 0.263139 0.863218 Cd\n0.610504 0.263139 0.863218 Cd\n0.263139 0.863218 0.610504 Cd\n0.610504 0.863218 0.263139 Cd\n0.263139 0.863218 0.263139 Cd\n0.863218 0.263139 0.263139 Cd\n0.863218 0.610504 0.263139 Cd\n0.863218 0.263139 0.610504 Cd\n0.610504 0.263139 0.263139 Cd\n0.263139 0.263139 0.610504 Cd\n0.263139 0.610504 0.263139 Cd\n0.500000 0.500000 0.500000 Cd\n0.640529 0.450052 0.268890 Cd\n0.640529 0.640529 0.268890 Cd\n0.450052 0.640529 0.268890 Cd\n0.640529 0.268890 0.450052 Cd\n0.450052 0.268890 0.640529 Cd\n0.640529 0.268890 0.640529 Cd\n0.268890 0.640529 0.640529 Cd\n0.268890 0.450052 0.640529 Cd\n0.268890 0.640529 0.450052 Cd\n0.450052 0.640529 0.640529 Cd\n0.640529 0.640529 0.450052 Cd\n0.640529 0.450052 0.640529 Cd\n0.512790 0.833261 0.141159 Cd\n0.512790 0.512790 0.141159 Cd\n0.833261 0.512790 0.141159 Cd\n0.512790 0.141159 0.833261 Cd\n0.833261 0.141159 0.512790 Cd\n0.512790 0.141159 0.512790 Cd\n0.141159 0.512790 0.512790 Cd\n0.141159 0.833261 0.512790 Cd\n0.141159 0.512790 0.833261 Cd\n0.833261 0.512790 0.512790 Cd\n0.512790 0.512790 0.833261 Cd\n0.512790 0.833261 0.512790 Cd\n0.750000 0.750000 0.750000 Cd\n0.830105 0.830105 0.509685 Cd\n0.830105 0.509685 0.830105 Cd\n0.509685 0.830105 0.830105 Cd\n0.830105 0.830105 0.830105 Cd\n0.911193 0.911193 0.588807 Cd\n0.588807 0.911193 0.588807 Cd\n0.911193 0.588807 0.588807 Cd\n0.588807 0.588807 0.911193 Cd\n0.911193 0.588807 0.911193 Cd\n0.588807 0.911193 0.911193 Cd\n0.764203 0.066610 0.404984 Cd\n0.764203 0.764203 0.404984 Cd\n0.066610 0.764203 0.404984 Cd\n0.764203 0.404984 0.066610 Cd\n0.066610 0.404984 0.764203 Cd\n0.764203 0.404984 0.764203 Cd\n0.404984 0.764203 0.764203 Cd\n0.404984 0.066610 0.764203 Cd\n0.404984 0.764203 0.066610 Cd\n0.066610 0.764203 0.764203 Cd\n0.764203 0.764203 0.066610 Cd\n0.764203 0.066610 0.764203 Cd\n",
"nsites": 112,
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"elements": [
"Tm",
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],
"chemical_system": "Cd-Tm",
"density": 8.925308003687691,
"density_atomic": 0.04351697763469422,
"volume": 2573.708149959091,
"volume_molar": 13.838600673404317,
"formula_full": "Tm22 Cd90",
"formula_reduced": "Tm11Cd45",
"formula_anonymous": "A11B45",
"energy": -203.78353553,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:28.736000Z",
"spacegroup": 216
},
{
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{
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"structure_string": "K16 Bi8 Br40 O16\n1.0\n8.560538 0.000000 0.000000\n0.000000 14.065132 0.000000\n0.000000 0.000000 21.369251\nK Bi Br O\n16 8 40 16\ndirect\n0.989522 0.348624 0.750000 K\n0.489522 0.151376 0.750000 K\n0.010478 0.651376 0.250000 K\n0.510478 0.848624 0.250000 K\n0.824616 0.656868 0.750000 K\n0.324616 0.843132 0.750000 K\n0.175384 0.343132 0.250000 K\n0.675384 0.156868 0.250000 K\n0.040652 0.303546 0.520634 K\n0.540652 0.196454 0.979366 K\n0.959348 0.696454 0.020634 K\n0.459348 0.803546 0.479366 K\n0.959348 0.696454 0.479366 K\n0.459348 0.803546 0.020634 K\n0.040652 0.303546 0.979366 K\n0.540652 0.196454 0.520634 K\n0.902637 0.014321 0.641403 Bi\n0.402637 0.485679 0.858597 Bi\n0.097363 0.985679 0.141403 Bi\n0.597363 0.514321 0.358597 Bi\n0.097363 0.985679 0.358597 Bi\n0.597363 0.514321 0.141403 Bi\n0.902637 0.014321 0.858597 Bi\n0.402637 0.485679 0.641403 Bi\n0.617650 0.972748 0.577180 Br\n0.117650 0.527252 0.922820 Br\n0.382350 0.027252 0.077180 Br\n0.882350 0.472748 0.422820 Br\n0.382350 0.027252 0.422820 Br\n0.882350 0.472748 0.077180 Br\n0.617650 0.972748 0.922820 Br\n0.117650 0.527252 0.577180 Br\n0.121494 0.071873 0.558454 Br\n0.621494 0.428127 0.941546 Br\n0.878506 0.928127 0.058454 Br\n0.378506 0.571873 0.441546 Br\n0.878506 0.928127 0.441546 Br\n0.378506 0.571873 0.058454 Br\n0.121494 0.071873 0.941546 Br\n0.621494 0.428127 0.558454 Br\n0.790002 0.202794 0.650884 Br\n0.290002 0.297206 0.849116 Br\n0.209998 0.797206 0.150884 Br\n0.709998 0.702794 0.349116 Br\n0.209998 0.797206 0.349116 Br\n0.709998 0.702794 0.150884 Br\n0.790002 0.202794 0.849116 Br\n0.290002 0.297206 0.650884 Br\n0.023074 0.814576 0.632901 Br\n0.523074 0.685424 0.867099 Br\n0.976926 0.185424 0.132901 Br\n0.476926 0.314576 0.367099 Br\n0.976926 0.185424 0.367099 Br\n0.476926 0.314576 0.132901 Br\n0.023074 0.814576 0.867099 Br\n0.523074 0.685424 0.632901 Br\n0.699190 0.934411 0.750000 Br\n0.199190 0.565589 0.750000 Br\n0.300810 0.065589 0.250000 Br\n0.800810 0.434411 0.250000 Br\n0.111410 0.052384 0.750000 Br\n0.611410 0.447616 0.750000 Br\n0.888590 0.947616 0.250000 Br\n0.388590 0.552384 0.250000 Br\n0.966206 0.513009 0.676777 O\n0.466206 0.986991 0.823223 O\n0.033794 0.486991 0.176777 O\n0.533794 0.013009 0.323223 O\n0.033794 0.486991 0.323223 O\n0.533794 0.013009 0.176777 O\n0.966206 0.513009 0.823223 O\n0.466206 0.986991 0.676777 O\n0.682302 0.702784 0.543157 O\n0.182302 0.797216 0.956843 O\n0.317698 0.297216 0.043157 O\n0.817698 0.202784 0.456843 O\n0.317698 0.297216 0.456843 O\n0.817698 0.202784 0.043157 O\n0.682302 0.702784 0.956843 O\n0.182302 0.797216 0.543157 O\n",
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{
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"created_at": "2022-09-04T14:40:12.988271Z",
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{
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"structure_string": "P4 H120 Pt8 C40 I8 N4 Cl8\n1.0\n0.000000 -9.379853 0.000000\n-10.703903 0.000000 0.175461\n0.153260 0.000000 -25.575644\nP H Pt C I N Cl\n4 120 8 40 8 4 8\ndirect\n0.506891 0.657400 0.131295 P\n0.006891 0.342600 0.368705 P\n0.493109 0.342600 0.868705 P\n0.993109 0.657400 0.631295 P\n0.370677 0.576343 0.190938 H\n0.870677 0.423657 0.309062 H\n0.629323 0.423657 0.809062 H\n0.129323 0.576343 0.690938 H\n0.274315 0.998943 0.197363 H\n0.774315 0.001057 0.302637 H\n0.725685 0.001057 0.802637 H\n0.225685 0.998943 0.697363 H\n0.368368 0.918620 0.146101 H\n0.868368 0.081380 0.353899 H\n0.631632 0.081380 0.853899 H\n0.131632 0.918620 0.646101 H\n0.192075 0.975202 0.134735 H\n0.692075 0.024798 0.365265 H\n0.807925 0.024798 0.865265 H\n0.307925 0.975202 0.634735 H\n0.326004 0.881221 0.263072 H\n0.826004 0.118779 0.236928 H\n0.673996 0.118779 0.736928 H\n0.173996 0.881221 0.763072 H\n0.184435 0.791398 0.290171 H\n0.684434 0.208602 0.209829 H\n0.815566 0.208602 0.709829 H\n0.315565 0.791398 0.790171 H\n0.342013 0.713948 0.266909 H\n0.842013 0.286052 0.233091 H\n0.657987 0.286052 0.733091 H\n0.157987 0.713948 0.766909 H\n0.956692 0.823655 0.245499 H\n0.456692 0.176345 0.254501 H\n0.043308 0.176345 0.754501 H\n0.543308 0.823655 0.745499 H\n0.053804 0.963535 0.232382 H\n0.553804 0.036465 0.267618 H\n0.946196 0.036465 0.767618 H\n0.446196 0.963535 0.732382 H\n0.941842 0.894967 0.182790 H\n0.441842 0.105033 0.317210 H\n0.058158 0.105033 0.817210 H\n0.558158 0.894967 0.682790 H\n0.232694 0.348186 0.032895 H\n0.732694 0.651814 0.467105 H\n0.767306 0.651814 0.967105 H\n0.267306 0.348186 0.532895 H\n0.235939 0.511512 0.020021 H\n0.735939 0.488488 0.479979 H\n0.764061 0.488488 0.979979 H\n0.264061 0.511512 0.520021 H\n0.385763 0.438185 0.050880 H\n0.885763 0.561815 0.449120 H\n0.614237 0.561815 0.949120 H\n0.114237 0.438185 0.550880 H\n0.056539 0.274300 0.082884 H\n0.556539 0.725700 0.417116 H\n0.943461 0.725700 0.917116 H\n0.443461 0.274300 0.582884 H\n0.941288 0.355735 0.127869 H\n0.441288 0.644265 0.372131 H\n0.058712 0.644265 0.872131 H\n0.558712 0.355735 0.627869 H\n0.962817 0.410303 0.062238 H\n0.462817 0.589697 0.437762 H\n0.037183 0.589697 0.937762 H\n0.537183 0.410303 0.562238 H\n0.281692 0.247921 0.119361 H\n0.781692 0.752079 0.380638 H\n0.718308 0.752079 0.880638 H\n0.218308 0.247921 0.619362 H\n0.382686 0.349034 0.162501 H\n0.882686 0.650966 0.337499 H\n0.617314 0.650966 0.837499 H\n0.117314 0.349034 0.662501 H\n0.212464 0.290989 0.182418 H\n0.712464 0.709011 0.317582 H\n0.787536 0.709011 0.817582 H\n0.287536 0.290989 0.682418 H\n0.622800 0.710482 0.211830 H\n0.122800 0.289518 0.288170 H\n0.377200 0.289518 0.788170 H\n0.877200 0.710482 0.711830 H\n0.720405 0.764834 0.156923 H\n0.220405 0.235166 0.343077 H\n0.279595 0.235166 0.843077 H\n0.779595 0.764834 0.656923 H\n0.564544 0.848431 0.179115 H\n0.064544 0.151569 0.320885 H\n0.435456 0.151569 0.820885 H\n0.935456 0.848431 0.679115 H\n0.396495 0.692119 0.048623 H\n0.896495 0.307881 0.451377 H\n0.603505 0.307881 0.951377 H\n0.103505 0.692119 0.548623 H\n0.459149 0.834930 0.077621 H\n0.959149 0.165070 0.422379 H\n0.540851 0.165070 0.922379 H\n0.040851 0.834930 0.577621 H\n0.582907 0.730217 0.047276 H\n0.082907 0.269784 0.452724 H\n0.417093 0.269784 0.952724 H\n0.917093 0.730217 0.547276 H\n0.633060 0.474396 0.156447 H\n0.133060 0.525604 0.343553 H\n0.366940 0.525604 0.843553 H\n0.866940 0.474396 0.656447 H\n0.576757 0.461196 0.089407 H\n0.076757 0.538804 0.410593 H\n0.423243 0.538804 0.910593 H\n0.923243 0.461196 0.589407 H\n0.726367 0.557814 0.107348 H\n0.226367 0.442186 0.392652 H\n0.273633 0.442186 0.892652 H\n0.773633 0.557814 0.607348 H\n0.851524 0.146951 0.028083 H\n0.351524 0.853049 0.471917 H\n0.148476 0.853049 0.971917 H\n0.648476 0.146951 0.528083 H\n0.875760 0.017902 0.071951 H\n0.375760 0.982098 0.428049 H\n0.124240 0.982098 0.928049 H\n0.624240 0.017902 0.571951 H\n0.178524 0.766218 0.187090 Pt\n0.678524 0.233782 0.312910 Pt\n0.821476 0.233782 0.812910 Pt\n0.321476 0.766218 0.687090 Pt\n0.180096 0.481465 0.120014 Pt\n0.680096 0.518535 0.379986 Pt\n0.819904 0.518535 0.879986 Pt\n0.319904 0.481465 0.620014 Pt\n0.263261 0.934046 0.163704 C\n0.763261 0.065954 0.336296 C\n0.736739 0.065954 0.836296 C\n0.236739 0.934046 0.663704 C\n0.268533 0.791972 0.260296 C\n0.768533 0.208028 0.239704 C\n0.731467 0.208028 0.739704 C\n0.231467 0.791972 0.760296 C\n0.013853 0.875101 0.215354 C\n0.513853 0.124899 0.284646 C\n0.986147 0.124899 0.784646 C\n0.486147 0.875101 0.715354 C\n0.269212 0.440003 0.047615 C\n0.769212 0.559997 0.452385 C\n0.730788 0.559997 0.952385 C\n0.230788 0.440003 0.547615 C\n0.016213 0.366683 0.095382 C\n0.516213 0.633317 0.404618 C\n0.983787 0.633317 0.904618 C\n0.483787 0.366683 0.595382 C\n0.275265 0.323348 0.149135 C\n0.775265 0.676652 0.350865 C\n0.724735 0.676652 0.850865 C\n0.224735 0.323348 0.649135 C\n0.613292 0.756043 0.173965 C\n0.113292 0.243957 0.326035 C\n0.386708 0.243957 0.826035 C\n0.886708 0.756043 0.673965 C\n0.484499 0.736074 0.070384 C\n0.984499 0.263926 0.429616 C\n0.515501 0.263926 0.929616 C\n0.015501 0.736074 0.570384 C\n0.621015 0.524058 0.119579 C\n0.121015 0.475942 0.380421 C\n0.378985 0.475942 0.880421 C\n0.878985 0.524058 0.619579 C\n0.803506 0.063785 0.044874 C\n0.303506 0.936215 0.455126 C\n0.196494 0.936215 0.955126 C\n0.696494 0.063785 0.544874 C\n0.055892 0.709967 0.086848 I\n0.555892 0.290033 0.413152 I\n0.944108 0.290033 0.913152 I\n0.444108 0.709967 0.586848 I\n0.054152 0.538788 0.218773 I\n0.554152 0.461212 0.281227 I\n0.945848 0.461212 0.781227 I\n0.445848 0.538788 0.718773 I\n0.350546 0.621256 0.156373 N\n0.850546 0.378744 0.343627 N\n0.649454 0.378744 0.843627 N\n0.149454 0.621256 0.656373 N\n0.648365 0.110428 0.080235 Cl\n0.148365 0.889572 0.419765 Cl\n0.351635 0.889572 0.919765 Cl\n0.851635 0.110428 0.580235 Cl\n0.764772 0.956782 0.992762 Cl\n0.264772 0.043218 0.507238 Cl\n0.235228 0.043218 0.007238 Cl\n0.735228 0.956782 0.492762 Cl\n",
"nsites": 192,
"nelements": 7,
"elements": [
"P",
"H",
"Pt",
"C",
"I",
"N",
"Cl"
],
"chemical_system": "C-Cl-H-I-N-P-Pt",
"density": 2.3546584026874933,
"density_atomic": 0.07477890751518702,
"volume": 2567.56893594636,
"volume_molar": 8.053261220454377,
"formula_full": "P4 H120 Pt8 C40 I8 N4 Cl8",
"formula_reduced": "PH30Pt2C10I2NCl2",
"formula_anonymous": "ABC2D2E2F10G30",
"energy": -945.1811690000002,
"energy_per_atom": -4.922818588541667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -935.793169,
"band_gap": 3.1727,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0025631,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.063000Z",
"spacegroup": 14
}
]
}