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-16391
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: 76
Number of elements: 3
Element list: ['Er', 'Mo', 'O']
Chemical System: Er-Mo-O
Density: 8.365525989469946
Atomic Density: 0.07789692245809442
Unit Cell Volume: 975.6483003662322
Molar Volume: 7.730909732973961
Full Formula: Er16 Mo16 O44
Reduced Formula: Er4Mo4O11
Formula Anonymous: A4B4C11
Spacegroup Number: 55
Spacegroup Symbol: Pbam
Crystal System: orthorhombic
Pointgroup: mmm

Thermodynamics:

Final energy: -672.3431141300001
Final energy per atom: -8.846619922763159
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.