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-1017220
Created at: Sept. 4, 2022, 2:40 p.m.
Last updated at: Nov. 28, 2021, 1:34 a.m.
Input Source: Materials Project

Structure:

Number of sites: 8
Number of elements: 3
Element list: ['Rb', 'Mg', 'Mo']
Chemical System: Mg-Mo-Rb
Density: 2.702088622279403
Atomic Density: 0.039781120726234964
Unit Cell Volume: 201.10041783524056
Molar Volume: 15.138187788732916
Full Formula: Rb1 Mg6 Mo1
Reduced Formula: RbMg6Mo
Formula Anonymous: ABC6
Spacegroup Number: 123
Spacegroup Symbol: P4/mmm
Crystal System: tetragonal
Pointgroup: 4/mmm

Thermodynamics:

Final energy: -18.24853825
Final energy per atom: -2.28106728125
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.