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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-14836
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: 64
Number of elements: 4
Element list: ['Pr', 'Si', 'Se', 'O']
Chemical System: O-Pr-Se-Si
Density: 5.837913677272693
Atomic Density: 0.05806967384008718
Unit Cell Volume: 1102.124323553871
Molar Volume: 10.370543455408116
Full Formula: Pr16 Si8 Se12 O28
Reduced Formula: Pr4Si2Se3O7
Formula Anonymous: A2B3C4D7
Spacegroup Number: 141
Spacegroup Symbol: I4_1/amd
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -503.53653129
Final energy per atom: -7.86775830140625
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.