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  1. Third-Parties
  2. MatprojStructure
  3. mp-1098707

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-1098707
  • 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: 24
  • Number of elements: 2
  • Element list: ['Ce', 'Se']
  • Chemical System: Ce-Se
  • Density: 1.8869608708758405
  • Atomic Density: 0.011438427549309642
  • Unit Cell Volume: 2098.1904983476948
  • Molar Volume: 52.648327176434854
  • Full Formula: Ce8 Se16
  • Reduced Formula: CeSe2
  • Formula Anonymous: AB2
  • Spacegroup Number: 140
  • Spacegroup Symbol: I4/mcm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -136.77230398999998
  • Final energy per atom: -5.698845999583333
  • 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.