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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-569983
Created at: Sept. 4, 2022, 2:46 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 20
Number of elements: 3
Element list: ['Ni', 'Pd', 'Se']
Chemical System: Ni-Pd-Se
Density: 7.990693011411878
Atomic Density: 0.06303078288097697
Unit Cell Volume: 317.3052766577029
Molar Volume: 9.554285199617146
Full Formula: Ni8 Pd4 Se8
Reduced Formula: Ni2PdSe2
Formula Anonymous: AB2C2
Spacegroup Number: 139
Spacegroup Symbol: I4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -103.84208098
Final energy per atom: -5.192104049
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.