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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-728329
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: 44
Number of elements: 5
Element list: ['Mo', 'H', 'Pd', 'N', 'O']
Chemical System: H-Mo-N-O-Pd
Density: 2.4651556806729564
Atomic Density: 0.09764459210438191
Unit Cell Volume: 450.61379285566653
Molar Volume: 6.167408384032514
Full Formula: Mo2 H24 Pd2 N8 O8
Reduced Formula: MoH12Pd(NO)4
Formula Anonymous: ABC4D4E12
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -257.13189124
Final energy per atom: -5.84390661909091
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.