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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228697

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-1228697
  • 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: 32
  • Number of elements: 6
  • Element list: ['Ba', 'Ce', 'Eu', 'Tl', 'Cu', 'O']
  • Chemical System: Ba-Ce-Cu-Eu-O-Tl
  • Density: 7.3730787502667745
  • Atomic Density: 0.06778061049078563
  • Unit Cell Volume: 472.1114160568119
  • Molar Volume: 8.884754380928266
  • Full Formula: Ba4 Ce1 Eu3 Tl2 Cu4 O18
  • Reduced Formula: Ba4CeEu3Tl2(Cu2O9)2
  • Formula Anonymous: AB2C3D4E4F18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -227.8073588
  • Final energy per atom: -7.1189799625
  • 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.