Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1204344

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-1204344
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 49
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'Mo']
  • Chemical System: Cu-Ga-Mo
  • Density: 6.871839562836073
  • Atomic Density: 0.05601613022674688
  • Unit Cell Volume: 874.7480377822176
  • Molar Volume: 10.750726149098597
  • Full Formula: Ga40 Cu1 Mo8
  • Reduced Formula: Ga40CuMo8
  • Formula Anonymous: AB8C40
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -218.72757017
  • Final energy per atom: -4.4638279626530615
  • 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.