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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226640

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-1226640
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Ce', 'U', 'Pt', 'Au']
  • Chemical System: Au-Ce-Pt-U
  • Density: 17.872018902941868
  • Atomic Density: 0.05536528714426103
  • Unit Cell Volume: 216.74230585551794
  • Molar Volume: 10.877105620907509
  • Full Formula: Ce1 U1 Pt8 Au2
  • Reduced Formula: CeU(Pt4Au)2
  • Formula Anonymous: ABC2D8
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -84.33672491
  • Final energy per atom: -7.028060409166667
  • 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.