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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227248

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-1227248
  • 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: 28
  • Number of elements: 4
  • Element list: ['Ce', 'Fe', 'Se', 'O']
  • Chemical System: Ce-Fe-O-Se
  • Density: 6.205460973828494
  • Atomic Density: 0.04973254850057232
  • Unit Cell Volume: 563.0115657490944
  • Molar Volume: 12.109053208746577
  • Full Formula: Ce8 Fe4 Se8 O8
  • Reduced Formula: Ce2Fe(SeO)2
  • Formula Anonymous: AB2C2D2
  • Spacegroup Number: 36
  • Spacegroup Symbol: Cmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -213.9389219
  • Final energy per atom: -7.640675782142857
  • 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.