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  1. Third-Parties
  2. MatprojStructure
  3. mp-645688

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-645688
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 58
  • Number of elements: 2
  • Element list: ['Ce', 'S']
  • Chemical System: Ce-S
  • Density: 5.2357108927021905
  • Atomic Density: 0.04548237791961312
  • Unit Cell Volume: 1275.2191651569074
  • Molar Volume: 13.240602262801005
  • Full Formula: Ce20 S38
  • Reduced Formula: Ce10S19
  • Formula Anonymous: A10B19
  • Spacegroup Number: 86
  • Spacegroup Symbol: P4_2/n
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -397.15427517
  • Final energy per atom: -6.847487502931035
  • 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.