Simmate

Download Simmate

You can install Simmate to host your own server and access advanced features

learn more

Due to limited resources, our website only includes a small number of features compared to the many available in the command-line and python. We highly recommend installing Simmate for local use, rather than just relying on the website.

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-555188
Created at: Sept. 4, 2022, 2:45 p.m.
Last updated at: Nov. 28, 2021, 1:37 a.m.
Input Source: Materials Project

Structure:

Number of sites: 102
Number of elements: 5
Element list: ['Ba', 'Ho', 'Zn', 'Pt', 'O']
Chemical System: Ba-Ho-O-Pt-Zn
Density: 7.785128386565732
Atomic Density: 0.0665192413022498
Unit Cell Volume: 1533.3909107070676
Molar Volume: 9.053231278806424
Full Formula: Ba17 Ho16 Zn8 Pt4 O57
Reduced Formula: Ba17Ho16Zn8Pt4O57
Formula Anonymous: A4B8C16D17E57
Spacegroup Number: 87
Spacegroup Symbol: I4/m
Crystal System: tetragonal
Pointgroup: 4/m

Thermodynamics:

Final energy: -728.00101128
Final energy per atom: -7.137264816470588
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.