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{
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{
"id": "mp-720928",
"created_at": "2022-09-04T14:45:17.111070Z",
"structure_string": "Re4 H48 C8 S8 N16 Cl20 O12\n1.0\n7.176715 0.000000 0.000000\n0.000000 13.819335 0.000000\n0.000000 3.403850 16.262850\nRe H C S N Cl O\n4 48 8 8 16 20 12\ndirect\n0.756611 0.802713 0.979730 Re\n0.256611 0.197287 0.520270 Re\n0.243389 0.197287 0.020270 Re\n0.743389 0.802713 0.479730 Re\n0.209581 0.916519 0.820458 H\n0.709581 0.083481 0.679542 H\n0.790419 0.083481 0.179542 H\n0.290419 0.916519 0.320458 H\n0.318935 0.799577 0.830266 H\n0.818935 0.200423 0.669734 H\n0.681065 0.200423 0.169734 H\n0.181065 0.799577 0.330266 H\n0.091991 0.994353 0.689332 H\n0.591991 0.005647 0.810668 H\n0.908009 0.005647 0.310668 H\n0.408009 0.994353 0.189332 H\n0.077568 0.925933 0.611698 H\n0.577568 0.074067 0.888302 H\n0.922432 0.074067 0.388302 H\n0.422432 0.925933 0.111698 H\n0.097711 0.460236 0.902291 H\n0.597711 0.539764 0.597709 H\n0.902289 0.539764 0.097709 H\n0.402289 0.460236 0.402291 H\n0.336259 0.488985 0.885711 H\n0.836259 0.511015 0.614289 H\n0.663741 0.511015 0.114289 H\n0.163741 0.488985 0.385711 H\n0.874811 0.567731 0.815881 H\n0.374811 0.432269 0.684119 H\n0.125189 0.432269 0.184119 H\n0.625189 0.567731 0.315881 H\n0.965175 0.661610 0.736675 H\n0.465175 0.338390 0.763325 H\n0.034825 0.338390 0.263325 H\n0.534825 0.661610 0.236675 H\n0.605450 0.624171 0.935953 H\n0.105450 0.375829 0.564047 H\n0.394550 0.375829 0.064047 H\n0.894550 0.624171 0.435953 H\n0.485639 0.634215 0.013261 H\n0.985639 0.365785 0.486739 H\n0.514361 0.365785 0.986739 H\n0.014361 0.634215 0.513261 H\n0.659689 0.915259 0.651380 H\n0.159689 0.084741 0.848620 H\n0.340311 0.084741 0.348620 H\n0.840311 0.915259 0.151380 H\n0.540961 0.000608 0.601519 H\n0.040961 0.999392 0.898481 H\n0.459039 0.999392 0.398481 H\n0.959039 0.000608 0.101519 H\n0.198687 0.854371 0.719476 C\n0.698687 0.145629 0.780524 C\n0.801313 0.145629 0.280524 C\n0.301313 0.854371 0.219476 C\n0.158517 0.580049 0.810084 C\n0.658517 0.419951 0.689916 C\n0.841483 0.419951 0.189916 C\n0.341483 0.580049 0.310084 C\n0.248075 0.752370 0.672124 S\n0.748075 0.247630 0.827876 S\n0.751925 0.247630 0.327876 S\n0.251925 0.752370 0.172124 S\n0.358506 0.648479 0.764794 S\n0.858506 0.351521 0.735206 S\n0.641494 0.351521 0.235206 S\n0.141494 0.648479 0.264794 S\n0.245405 0.855978 0.795533 N\n0.745405 0.144022 0.704467 N\n0.754595 0.144022 0.204467 N\n0.254595 0.855978 0.295533 N\n0.112635 0.929110 0.670871 N\n0.612635 0.070890 0.829129 N\n0.887365 0.070890 0.329129 N\n0.387365 0.929110 0.170871 N\n0.198774 0.504710 0.870502 N\n0.698774 0.495290 0.629498 N\n0.801226 0.495290 0.129498 N\n0.301226 0.504710 0.370502 N\n0.987998 0.604577 0.785368 N\n0.487998 0.395423 0.714632 N\n0.012002 0.395423 0.214632 N\n0.512002 0.604577 0.285368 N\n0.738972 0.749311 0.125095 Cl\n0.238972 0.250689 0.374905 Cl\n0.261028 0.250689 0.874905 Cl\n0.761028 0.749311 0.625095 Cl\n0.733876 0.817188 0.835549 Cl\n0.233876 0.182812 0.664451 Cl\n0.266124 0.182812 0.164451 Cl\n0.766124 0.817188 0.335549 Cl\n0.456070 0.875822 0.982135 Cl\n0.956070 0.124178 0.517865 Cl\n0.543930 0.124178 0.017865 Cl\n0.043930 0.875822 0.482135 Cl\n0.994785 0.685185 0.981847 Cl\n0.494785 0.314815 0.518153 Cl\n0.005215 0.314815 0.018153 Cl\n0.505215 0.685185 0.481847 Cl\n0.648225 0.486738 0.893735 Cl\n0.148225 0.513262 0.606265 Cl\n0.351775 0.513262 0.106265 Cl\n0.851775 0.486738 0.393735 Cl\n0.887182 0.905471 0.978552 O\n0.387182 0.094529 0.521448 O\n0.112818 0.094529 0.021448 O\n0.612818 0.905471 0.478552 O\n0.562481 0.673023 0.968433 O\n0.062481 0.326977 0.531567 O\n0.437519 0.326977 0.031567 O\n0.937519 0.673023 0.468433 O\n0.602030 0.978621 0.654617 O\n0.102030 0.021379 0.845383 O\n0.397970 0.021379 0.345383 O\n0.897970 0.978621 0.154617 O\n",
"nsites": 116,
"nelements": 7,
"elements": [
"Re",
"H",
"C",
"S",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cl-H-N-O-Re-S",
"density": 2.3380397800077506,
"density_atomic": 0.07191980282616338,
"volume": 1612.9076477084125,
"volume_molar": 8.37341110981082,
"formula_full": "Re4 H48 C8 S8 N16 Cl20 O12",
"formula_reduced": "ReH12C2S2N4Cl5O3",
"formula_anonymous": "AB2C2D3E4F5G12",
"energy": -644.2700287,
"energy_per_atom": -5.554051971551724,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -613.9460287,
"band_gap": 2.2277,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009849,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:56.584000Z",
"spacegroup": 14
},
{
"id": "mp-1196358",
"created_at": "2022-09-04T14:39:27.564721Z",
"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": [
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"C",
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],
"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,
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"energy_uncorrected": -935.793169,
"band_gap": 3.1727,
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"updated_at": "2021-11-28T01:34:35.063000Z",
"spacegroup": 14
},
{
"id": "mp-738597",
"created_at": "2022-09-04T14:47:56.379607Z",
"structure_string": "H96 Ru4 C28 S12 N4 Cl12 O16\n1.0\n15.117410 0.000000 0.000000\n0.000000 8.318741 0.000000\n0.000000 7.923959 14.848271\nH Ru C S N Cl O\n96 4 28 12 4 12 16\ndirect\n0.452884 0.672846 0.525638 H\n0.047116 0.672846 0.025638 H\n0.547116 0.327154 0.474362 H\n0.952884 0.327154 0.974362 H\n0.422457 0.806866 0.581757 H\n0.077543 0.806866 0.081757 H\n0.577543 0.193134 0.418243 H\n0.922457 0.193134 0.918243 H\n0.359303 0.608740 0.601371 H\n0.140697 0.608740 0.101371 H\n0.640697 0.391260 0.398629 H\n0.859303 0.391260 0.898629 H\n0.451628 0.004351 0.372478 H\n0.048372 0.004351 0.872478 H\n0.548372 0.995649 0.627522 H\n0.951628 0.995649 0.127522 H\n0.358338 0.154862 0.342898 H\n0.141662 0.154862 0.842898 H\n0.641662 0.845138 0.657102 H\n0.858338 0.845138 0.157102 H\n0.419729 0.104104 0.444197 H\n0.080271 0.104104 0.944197 H\n0.580271 0.895896 0.555803 H\n0.919729 0.895896 0.055803 H\n0.120294 0.934874 0.206706 H\n0.379706 0.934874 0.706706 H\n0.879706 0.065126 0.793294 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{
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{
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{
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"id": "mp-651106",
"created_at": "2022-09-04T14:47:43.107592Z",
"structure_string": "Fe4 Sb8 W4 C32 Se8 O32 F48\n1.0\n12.485123 0.000000 0.000000\n0.000000 12.238160 0.000000\n0.000000 0.711817 15.409656\nFe Sb W C Se O F\n4 8 4 32 8 32 48\ndirect\n0.461473 0.620837 0.688734 Fe\n0.961473 0.879163 0.311266 Fe\n0.038527 0.120837 0.688734 Fe\n0.538527 0.379163 0.311266 Fe\n0.527536 0.195965 0.608862 Sb\n0.768350 0.520238 0.053978 Sb\n0.972464 0.695965 0.608862 Sb\n0.231650 0.479762 0.946022 Sb\n0.472464 0.804035 0.391138 Sb\n0.268350 0.979762 0.946022 Sb\n0.027536 0.304035 0.391138 Sb\n0.731650 0.020238 0.053978 Sb\n0.080600 0.720120 0.214854 W\n0.580600 0.779880 0.785146 W\n0.919400 0.279880 0.785146 W\n0.419400 0.220120 0.214854 W\n0.354860 0.372681 0.237214 C\n0.158930 0.078542 0.631813 C\n0.170171 0.655562 0.322116 C\n0.944295 0.443836 0.820523 C\n0.030590 0.989762 0.751125 C\n0.765835 0.295752 0.844760 C\n0.544078 0.727354 0.915554 C\n0.530590 0.510238 0.248875 C\n0.341070 0.578542 0.631813 C\n0.044078 0.772646 0.084446 C\n0.265835 0.204248 0.155240 C\n0.645140 0.627319 0.762786 C\n0.555705 0.943836 0.820523 C\n0.444295 0.056164 0.179477 C\n0.055705 0.556164 0.179477 C\n0.947649 0.086392 0.600767 C\n0.841070 0.921458 0.368187 C\n0.658930 0.421458 0.368187 C\n0.829829 0.344438 0.677884 C\n0.234165 0.704248 0.155240 C\n0.145140 0.872681 0.237214 C\n0.734165 0.795752 0.844760 C\n0.969410 0.010238 0.248875 C\n0.329829 0.155562 0.322116 C\n0.670171 0.844438 0.677884 C\n0.447649 0.413608 0.399233 C\n0.455922 0.272646 0.084446 C\n0.552351 0.586392 0.600767 C\n0.854860 0.127319 0.762786 C\n0.052351 0.913608 0.399233 C\n0.955922 0.227354 0.915554 C\n0.469410 0.489762 0.751125 C\n0.371352 0.732626 0.788149 Se\n0.438106 0.812968 0.657846 Se\n0.938106 0.687032 0.342154 Se\n0.871352 0.767374 0.211851 Se\n0.628648 0.267374 0.211851 Se\n0.561894 0.187032 0.342154 Se\n0.061894 0.312968 0.657846 Se\n0.128648 0.232626 0.788149 Se\n0.316904 0.698975 0.124111 O\n0.475460 0.298981 0.014208 O\n0.521848 0.591314 0.209672 O\n0.951450 0.533197 0.838425 O\n0.478152 0.408686 0.790328 O\n0.701527 0.552059 0.757991 O\n0.021848 0.908686 0.790328 O\n0.975460 0.201019 0.985792 O\n0.279744 0.118439 0.378277 O\n0.613438 0.566956 0.548485 O\n0.734628 0.449949 0.402286 O\n0.720256 0.881561 0.621723 O\n0.886562 0.066956 0.548485 O\n0.183096 0.198975 0.124111 O\n0.548550 0.033197 0.838425 O\n0.220256 0.618439 0.378277 O\n0.234628 0.050051 0.597714 O\n0.765372 0.949949 0.402286 O\n0.816904 0.801025 0.875889 O\n0.451450 0.966803 0.161575 O\n0.113438 0.933044 0.451515 O\n0.779744 0.381561 0.621723 O\n0.798473 0.052059 0.757991 O\n0.298473 0.447941 0.242009 O\n0.265372 0.550051 0.597714 O\n0.048550 0.466803 0.161575 O\n0.386562 0.433044 0.451515 O\n0.978152 0.091314 0.209672 O\n0.524540 0.701019 0.985792 O\n0.201527 0.947941 0.242009 O\n0.683096 0.301025 0.875889 O\n0.024540 0.798981 0.014208 O\n0.444349 0.176871 0.504609 F\n0.832820 0.393586 0.006146 F\n0.472384 0.959824 0.366534 F\n0.294853 0.350881 0.901622 F\n0.205147 0.850881 0.901622 F\n0.346463 0.813902 0.462913 F\n0.135141 0.059087 0.928516 F\n0.308097 0.025712 0.829187 F\n0.555651 0.823129 0.495391 F\n0.167180 0.606414 0.993854 F\n0.027616 0.459824 0.366534 F\n0.618511 0.215581 0.707916 F\n0.705147 0.649119 0.098378 F\n0.794853 0.149119 0.098378 F\n0.027490 0.147424 0.413594 F\n0.191903 0.525712 0.829187 F\n0.055651 0.676871 0.504609 F\n0.723185 0.565521 0.938094 F\n0.901443 0.597844 0.038768 F\n0.846463 0.686098 0.537087 F\n0.400719 0.208623 0.677855 F\n0.691903 0.974288 0.170813 F\n0.472510 0.647424 0.413594 F\n0.599281 0.791377 0.322145 F\n0.808097 0.474288 0.170813 F\n0.776815 0.065521 0.938094 F\n0.098557 0.402156 0.961232 F\n0.653537 0.186098 0.537087 F\n0.864859 0.940913 0.071484 F\n0.118511 0.284419 0.292084 F\n0.223185 0.934479 0.061906 F\n0.332820 0.106414 0.993854 F\n0.099281 0.708623 0.677855 F\n0.944349 0.323129 0.495391 F\n0.381489 0.784419 0.292084 F\n0.667180 0.893586 0.006146 F\n0.635141 0.440913 0.071484 F\n0.598557 0.097844 0.038768 F\n0.276815 0.434479 0.061906 F\n0.153537 0.313902 0.462913 F\n0.401443 0.902156 0.961232 F\n0.527616 0.040176 0.633466 F\n0.972384 0.540176 0.633466 F\n0.881489 0.715581 0.707916 F\n0.900719 0.291377 0.322145 F\n0.364859 0.559087 0.928516 F\n0.527490 0.352576 0.586406 F\n0.972510 0.852576 0.586406 F\n",
"nsites": 136,
"nelements": 7,
"elements": [
"Fe",
"Sb",
"W",
"C",
"Se",
"O",
"F"
],
"chemical_system": "C-F-Fe-O-Sb-Se-W",
"density": 3.083908668975032,
"density_atomic": 0.05776130710773752,
"volume": 2354.5173544346935,
"volume_molar": 10.42590803696216,
"formula_full": "Fe4 Sb8 W4 C32 Se8 O32 F48",
"formula_reduced": "FeSb2WC8Se2(O2F3)4",
"formula_anonymous": "ABC2D2E8F8G12",
"energy": -901.17044493,
"energy_per_atom": -6.626253271544118,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -826.45844493,
"band_gap": 2.2688,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0027199,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:16.904000Z",
"spacegroup": 14
}
]
}