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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204472

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-1204472
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 56
  • Number of elements: 4
  • Element list: ['Y', 'Se', 'Cl', 'O']
  • Chemical System: Cl-O-Se-Y
  • Density: 4.241428118707635
  • Atomic Density: 0.06080655419443307
  • Unit Cell Volume: 920.9533534976543
  • Molar Volume: 9.90376915742306
  • Full Formula: Y12 Se8 Cl4 O32
  • Reduced Formula: Y3Se2ClO8
  • Formula Anonymous: AB2C3D8
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -428.26012589
  • Final energy per atom: -7.647502248035714
  • 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.