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  1. Third-Parties
  2. MatprojStructure
  3. mp-574472

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-574472
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 4
  • Element list: ['Cs', 'Ce', 'Hg', 'Se']
  • Chemical System: Ce-Cs-Hg-Se
  • Density: 5.692699314551449
  • Atomic Density: 0.028950864782471747
  • Unit Cell Volume: 414.4953903852081
  • Molar Volume: 20.80124654392395
  • Full Formula: Cs2 Ce2 Hg2 Se6
  • Reduced Formula: CsCeHgSe3
  • Formula Anonymous: ABCD3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -52.67497374
  • Final energy per atom: -4.389581145
  • 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.