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  1. Third-Parties
  2. MatprojStructure
  3. mp-1195151

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-1195151
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['Ce', 'Zn', 'Se', 'O']
  • Chemical System: Ce-O-Se-Zn
  • Density: 6.257919506918982
  • Atomic Density: 0.04925733877693504
  • Unit Cell Volume: 1421.1080366521505
  • Molar Volume: 12.22587518840927
  • Full Formula: Ce20 Zn10 Se20 O20
  • Reduced Formula: Ce2Zn(SeO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 72
  • Spacegroup Symbol: Ibam
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -483.38479944
  • Final energy per atom: -6.905497134857143
  • 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.