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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-542041
Created at: Sept. 4, 2022, 2:42 p.m.
Last updated at: Nov. 28, 2021, 1:35 a.m.
Input Source: Materials Project

Structure:

Number of sites: 128
Number of elements: 5
Element list: ['P', 'H', 'C', 'N', 'O']
Chemical System: C-H-N-O-P
Density: 1.7181599456580081
Atomic Density: 0.10474631681976242
Unit Cell Volume: 1222.0000080790462
Molar Volume: 5.749262544822777
Full Formula: P8 H56 C8 N16 O40
Reduced Formula: PH7CN2O5
Formula Anonymous: ABC2D5E7
Spacegroup Number: 61
Spacegroup Symbol: Pbca
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -806.55473008
Final energy per atom: -6.30120882875
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.