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{
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"elements": [
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],
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"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,
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"updated_at": "2021-11-28T01:38:16.904000Z",
"spacegroup": 14
},
{
"id": "mp-1201707",
"created_at": "2022-09-04T14:47:27.652521Z",
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"elements": [
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"formula_full": "Fe12 P12 H48 C8 N8 O52 F8",
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},
{
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{
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{
"id": "mp-605196",
"created_at": "2022-09-04T14:43:33.461326Z",
"structure_string": "Cs2 Cu6 As16 H48 C16 I8 O16\n1.0\n8.388470 0.000000 0.000000\n-0.891865 8.535452 0.000000\n-1.080159 -2.306161 25.697969\nCs Cu As H C I O\n2 6 16 48 16 8 16\ndirect\n0.422926 0.858211 0.765187 Cs\n0.577074 0.141789 0.234813 Cs\n0.249671 0.154047 0.371820 Cu\n0.750329 0.845953 0.628180 Cu\n0.751757 0.596686 0.862443 Cu\n0.291599 0.555190 0.291229 Cu\n0.708401 0.444810 0.708771 Cu\n0.248243 0.403314 0.137557 Cu\n0.017596 0.841775 0.662977 As\n0.992581 0.503378 0.713890 As\n0.765617 0.858601 0.536716 As\n0.019883 0.650771 0.834853 As\n0.929257 0.939324 0.777879 As\n0.980117 0.349229 0.165147 As\n0.955190 0.196649 0.544540 As\n0.229643 0.545987 0.062755 As\n0.044810 0.803351 0.455460 As\n0.070743 0.060676 0.222121 As\n0.037185 0.260698 0.991386 As\n0.962815 0.739302 0.008614 As\n0.007419 0.496622 0.286110 As\n0.982404 0.158225 0.337023 As\n0.234383 0.141399 0.463284 As\n0.770357 0.454013 0.937245 As\n0.794914 0.267517 0.086022 H\n0.287375 0.653917 0.448097 H\n0.439056 0.638458 0.001102 H\n0.943343 0.167737 0.847299 H\n0.693381 0.148876 0.365016 H\n0.681059 0.345758 0.137586 H\n0.078097 0.767603 0.216346 H\n0.318941 0.654242 0.862414 H\n0.642264 0.668045 0.462136 H\n0.639914 0.196069 0.964667 H\n0.489612 0.742022 0.501210 H\n0.360086 0.803931 0.035333 H\n0.586892 0.863264 0.455810 H\n0.712625 0.346083 0.551903 H\n0.827667 0.108314 0.416748 H\n0.510388 0.257978 0.498790 H\n0.807055 0.475231 0.101492 H\n0.192945 0.524769 0.898508 H\n0.881865 0.752201 0.286793 H\n0.884881 0.814493 0.192544 H\n0.764832 0.958017 0.365307 H\n0.750991 0.796371 0.072761 H\n0.205086 0.732483 0.913978 H\n0.560944 0.361542 0.998898 H\n0.081660 0.052563 0.918999 H\n0.257671 0.405439 0.694237 H\n0.921903 0.232397 0.783654 H\n0.172333 0.891686 0.583252 H\n0.106916 0.520733 0.439312 H\n0.228329 0.055487 0.972205 H\n0.413108 0.136736 0.544190 H\n0.100338 0.309888 0.649035 H\n0.056657 0.832263 0.152701 H\n0.115119 0.185507 0.807456 H\n0.357736 0.331955 0.537864 H\n0.249009 0.203629 0.927239 H\n0.825248 0.397225 0.496377 H\n0.899662 0.690112 0.350965 H\n0.235168 0.041983 0.634693 H\n0.742329 0.594561 0.305763 H\n0.504455 0.700638 0.067453 H\n0.306619 0.851124 0.634984 H\n0.118135 0.247799 0.713207 H\n0.918340 0.947437 0.081001 H\n0.495545 0.299362 0.932547 H\n0.771671 0.944513 0.027795 H\n0.174752 0.602775 0.503623 H\n0.893084 0.479267 0.560688 H\n0.403542 0.688991 0.038617 C\n0.204825 0.915365 0.624918 C\n0.865988 0.651582 0.310068 C\n0.134012 0.348418 0.689932 C\n0.163604 0.127465 0.947125 C\n0.795175 0.084635 0.375082 C\n0.984925 0.156279 0.807691 C\n0.793726 0.360857 0.117648 C\n0.832022 0.375776 0.537374 C\n0.596458 0.311009 0.961383 C\n0.601998 0.773063 0.482461 C\n0.167978 0.624224 0.462626 C\n0.398002 0.226937 0.517539 C\n0.015075 0.843721 0.192309 C\n0.836396 0.872535 0.052875 C\n0.206274 0.639143 0.882352 C\n0.333836 0.875569 0.334625 I\n0.442568 0.582498 0.205783 I\n0.446073 0.401183 0.357457 I\n0.553927 0.598817 0.642543 I\n0.323871 0.126490 0.105315 I\n0.666164 0.124431 0.665375 I\n0.557432 0.417502 0.794217 I\n0.676129 0.873510 0.894685 I\n0.905676 0.342191 0.321797 O\n0.060460 0.233348 0.484787 O\n0.103037 0.556525 0.776733 O\n0.072715 0.959440 0.724474 O\n0.896963 0.443475 0.223267 O\n0.935729 0.332954 0.934803 O\n0.194486 0.429647 0.000359 O\n0.797643 0.050725 0.511765 O\n0.094324 0.657809 0.678203 O\n0.805514 0.570353 0.999641 O\n0.927797 0.144464 0.178428 O\n0.072203 0.855536 0.821572 O\n0.939540 0.766652 0.515213 O\n0.064271 0.667046 0.065197 O\n0.927285 0.040560 0.275526 O\n0.202357 0.949275 0.488235 O\n",
"nsites": 112,
"nelements": 7,
"elements": [
"Cs",
"Cu",
"As",
"H",
"C",
"I",
"O"
],
"chemical_system": "As-C-Cs-Cu-H-I-O",
"density": 3.0302006947465148,
"density_atomic": 0.06087093065356521,
"volume": 1839.9587257409569,
"volume_molar": 9.893295034823462,
"formula_full": "Cs2 Cu6 As16 H48 C16 I8 O16",
"formula_reduced": "CsCu3As8H24C8(IO2)4",
"formula_anonymous": "AB3C4D8E8F8G24",
"energy": -565.3142604,
"energy_per_atom": -5.0474487535714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -551.2902604,
"band_gap": 2.3233,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0131286,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.158000Z",
"spacegroup": 2
}
]
}