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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-505772
Created at: Sept. 4, 2022, 2:39 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 72
Number of elements: 5
Element list: ['Rb', 'Na', 'H', 'C', 'O']
Chemical System: C-H-Na-O-Rb
Density: 2.4439981896208223
Atomic Density: 0.07548138360230904
Unit Cell Volume: 953.877586284699
Molar Volume: 7.978312628354864
Full Formula: Rb8 Na4 H20 C8 O32
Reduced Formula: Rb2NaH5(CO4)2
Formula Anonymous: AB2C2D5E8
Spacegroup Number: 62
Spacegroup Symbol: Pnma
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -439.43740699
Final energy per atom: -6.103297319305556
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.