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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-698276
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: 56
Number of elements: 5
Element list: ['Cu', 'H', 'C', 'N', 'O']
Chemical System: C-Cu-H-N-O
Density: 1.9056784571360919
Atomic Density: 0.10342852075520173
Unit Cell Volume: 541.4367293576863
Molar Volume: 5.8225146371893075
Full Formula: Cu2 H22 C8 N4 O20
Reduced Formula: CuH11C4(NO5)2
Formula Anonymous: AB2C4D10E11
Spacegroup Number: 2
Spacegroup Symbol: P-1
Crystal System: triclinic
Pointgroup: -1

Thermodynamics:

Final energy: -348.46875408000005
Final energy per atom: -6.222656322857143
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.