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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-707509
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 68
Number of elements: 6
Element list: ['Cu', 'H', 'Se', 'N', 'Cl', 'O']
Chemical System: Cl-Cu-H-N-O-Se
Density: 2.997930856169239
Atomic Density: 0.08229014701949763
Unit Cell Volume: 826.3443736938304
Molar Volume: 7.318179609732778
Full Formula: Cu4 H24 Se8 N4 Cl4 O24
Reduced Formula: CuH6Se2NClO6
Formula Anonymous: ABCD2E6F6
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -354.93427391999995
Final energy per atom: -5.219621675294117
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.