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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-556377
Created at: Sept. 4, 2022, 2:47 p.m.
Last updated at: Nov. 28, 2021, 1:38 a.m.
Input Source: Materials Project

Structure:

Number of sites: 102
Number of elements: 5
Element list: ['Ba', 'Dy', 'Zn', 'Pt', 'O']
Chemical System: Ba-Dy-O-Pt-Zn
Density: 7.684345502537533
Atomic Density: 0.0660151857408312
Unit Cell Volume: 1545.099038279487
Molar Volume: 9.122356761431078
Full Formula: Ba17 Dy16 Zn8 Pt4 O57
Reduced Formula: Ba17Dy16Zn8Pt4O57
Formula Anonymous: A4B8C16D17E57
Spacegroup Number: 87
Spacegroup Symbol: I4/m
Crystal System: tetragonal
Pointgroup: 4/m

Thermodynamics:

Final energy: -727.61718983
Final energy per atom: -7.1335018610784315
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.