Download Simmate

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

learn more

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-570928
  • 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: 17
  • Number of elements: 3
  • Element list: ['U', 'Ga', 'Rh']
  • Chemical System: Ga-Rh-U
  • Density: 9.815924001185358
  • Atomic Density: 0.05312260993139152
  • Unit Cell Volume: 320.01439729628686
  • Molar Volume: 11.336304386734133
  • Full Formula: U4 Ga12 Rh1
  • Reduced Formula: U4Ga12Rh
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 229
  • Spacegroup Symbol: Im-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -94.24831104
  • Final energy per atom: -5.544018296470589
  • 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.