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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-572986
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 64
Number of elements: 5
Element list: ['Cs', 'Np', 'P', 'O', 'F']
Chemical System: Cs-F-Np-O-P
Density: 5.928460486850816
Atomic Density: 0.05902556749556197
Unit Cell Volume: 1084.275894591137
Molar Volume: 10.202596968598048
Full Formula: Cs8 Np8 P4 O16 F28
Reduced Formula: Cs2Np2PO4F7
Formula Anonymous: AB2C2D4E7
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -482.88108334
Final energy per atom: -7.5450169271875
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.