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Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

Database Entry ID: mp-976587
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 22
Number of elements: 4
Element list: ['K', 'P', 'Au', 'S']
Chemical System: Au-K-P-S
Density: 2.89471537788957
Atomic Density: 0.03670204509584205
Unit Cell Volume: 599.4216382915503
Molar Volume: 16.408188547188736
Full Formula: K2 P4 Au2 S14
Reduced Formula: KP2AuS7
Formula Anonymous: ABC2D7
Spacegroup Number: 15
Spacegroup Symbol: C12/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -103.86923472
Final energy per atom: -4.7213288509090905
Energy above hull: None
Is thermodynamically stable?: None
Decomposes to: None
Formation energy None
Formation energy per atom: None

Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.