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"volume_molar": 8.544406014781392,
"formula_full": "K6 Mn10 Si24 O60",
"formula_reduced": "K3Mn5(Si2O5)6",
"formula_anonymous": "A3B5C12D30",
"energy": -816.49664472,
"energy_per_atom": -8.1649664472,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -758.59664472,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 51.2531028,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:37.331000Z",
"spacegroup": 192
},
{
"id": "mp-1200276",
"created_at": "2022-09-04T14:41:45.652417Z",
"structure_string": "Rb10 Pt6 C24 O54\n1.0\n0.025058 -0.082361 11.523798\n0.527284 11.793327 1.772281\n-11.482396 -0.031037 5.451378\nRb Pt C O\n10 6 24 54\ndirect\n0.459378 0.062515 0.207306 Rb\n0.540622 0.937485 0.792694 Rb\n0.125781 0.604017 0.862976 Rb\n0.874219 0.395983 0.137024 Rb\n0.568531 0.660667 0.052786 Rb\n0.431469 0.339333 0.947214 Rb\n0.498489 0.318434 0.543495 Rb\n0.501511 0.681566 0.456505 Rb\n0.915155 0.115508 0.400309 Rb\n0.084845 0.884492 0.599691 Rb\n-0.000000 0.000000 -0.000000 Pt\n-0.000000 0.500000 0.500000 Pt\n0.997866 0.838520 0.162803 Pt\n0.002134 0.161480 0.837197 Pt\n0.988557 0.678846 0.336903 Pt\n0.011443 0.321154 0.663097 Pt\n0.209702 0.086578 0.016067 C\n0.790298 0.913422 0.983933 C\n0.085108 0.152394 0.110994 C\n0.914892 0.847606 0.889006 C\n0.846800 0.846652 0.517899 C\n0.153200 0.153348 0.482101 C\n0.743989 0.786412 0.504266 C\n0.256011 0.213588 0.495734 C\n0.230228 0.570988 0.170053 C\n0.769772 0.429012 0.829947 C\n0.125841 0.525126 0.144150 C\n0.874159 0.474874 0.855850 C\n0.724759 0.890089 0.278522 C\n0.275241 0.109911 0.721478 C\n0.755586 0.778856 0.204790 C\n0.244414 0.221144 0.795210 C\n0.246954 0.870243 0.137029 C\n0.753046 0.129757 0.862971 C\n0.270000 0.787966 0.034653 C\n0.730000 0.212034 0.965347 C\n0.265210 0.497430 0.448722 C\n0.734790 0.502570 0.551278 C\n0.185956 0.581773 0.554861 C\n0.814044 0.418227 0.445139 C\n0.190335 0.008798 0.955649 O\n0.809665 0.991202 0.044351 O\n0.975411 0.126166 0.116226 O\n0.024589 0.873834 0.883774 O\n0.318588 0.105604 0.998516 O\n0.681412 0.894396 0.001484 O\n0.087050 0.224552 0.177966 O\n0.912950 0.775448 0.822034 O\n0.967929 0.806212 0.449672 O\n0.032071 0.193788 0.550328 O\n0.790747 0.709688 0.417604 O\n0.209253 0.290312 0.582396 O\n0.817179 0.928992 0.586337 O\n0.182821 0.071008 0.413663 O\n0.627479 0.811275 0.567466 O\n0.372521 0.188725 0.432534 O\n0.184418 0.647892 0.256315 O\n0.815582 0.352108 0.743685 O\n0.005791 0.557462 0.220139 O\n0.994209 0.442538 0.779861 O\n0.346450 0.540547 0.110372 O\n0.653550 0.459453 0.889628 O\n0.153412 0.465430 0.056099 O\n0.846588 0.534570 0.943901 O\n0.827166 0.928375 0.278262 O\n0.172834 0.071625 0.721738 O\n0.877090 0.752204 0.129086 O\n0.122910 0.247796 0.870914 O\n0.612615 0.936779 0.332470 O\n0.387385 0.063221 0.667530 O\n0.670136 0.721838 0.215857 O\n0.329864 0.278162 0.784143 O\n0.124746 0.913560 0.200227 O\n0.875254 0.086440 0.799773 O\n0.164994 0.754496 0.037497 O\n0.835006 0.245504 0.962503 O\n0.338815 0.893782 0.152454 O\n0.661185 0.106218 0.847546 O\n0.379977 0.756626 0.958100 O\n0.620023 0.243374 0.041900 O\n0.194995 0.453500 0.407033 O\n0.805005 0.546500 0.592967 O\n0.061594 0.602205 0.584557 O\n0.938406 0.397795 0.415443 O\n0.384531 0.477372 0.410579 O\n0.615469 0.522628 0.589421 O\n0.239597 0.627305 0.605365 O\n0.760403 0.372695 0.394635 O\n0.288926 0.287327 0.208651 O\n0.711074 0.712673 0.791349 O\n0.590981 0.434653 0.188614 O\n0.409019 0.565347 0.811386 O\n0.300708 0.771149 0.379505 O\n0.699292 0.228851 0.620495 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Rb",
"Pt",
"C",
"O"
],
"chemical_system": "C-O-Pt-Rb",
"density": 3.3738811490766487,
"density_atomic": 0.060108483329722295,
"volume": 1563.8391586819346,
"volume_molar": 10.018786744236793,
"formula_full": "Rb10 Pt6 C24 O54",
"formula_reduced": "Rb5Pt3(C4O9)3",
"formula_anonymous": "A3B5C12D27",
"energy": -663.00216889,
"energy_per_atom": -7.053214562659575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -625.90416889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.175407,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:26.428000Z",
"spacegroup": 2
}
]
}