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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-707876
Created at: Sept. 4, 2022, 2:44 p.m.
Last updated at: Nov. 28, 2021, 1:36 a.m.
Input Source: Materials Project

Structure:

Number of sites: 78
Number of elements: 5
Element list: ['Ca', 'Be', 'P', 'H', 'O']
Chemical System: Be-Ca-H-O-P
Density: 2.4634334967165628
Atomic Density: 0.09769507859424248
Unit Cell Volume: 798.4025513092408
Molar Volume: 6.16422121426586
Full Formula: Ca6 Be4 P8 H20 O40
Reduced Formula: Ca3Be2P4(HO2)10
Formula Anonymous: A2B3C4D10E20
Spacegroup Number: 14
Spacegroup Symbol: P12_1/c1
Crystal System: monoclinic
Pointgroup: 2/m

Thermodynamics:

Final energy: -525.48406473
Final energy per atom: -6.736975188846154
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.