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  1. Third-Parties
  2. MatprojStructure
  3. mp-24164

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-24164
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['Cu', 'H', 'Se', 'O']
  • Chemical System: Cu-H-O-Se
  • Density: 3.761345929901237
  • Atomic Density: 0.07799118647195917
  • Unit Cell Volume: 282.0831557410637
  • Molar Volume: 7.721565772262217
  • Full Formula: Cu2 H4 Se4 O12
  • Reduced Formula: CuH2(SeO3)2
  • Formula Anonymous: AB2C2D6
  • Spacegroup Number: 14
  • Spacegroup Symbol: P12_1/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -120.8957397
  • Final energy per atom: -5.495260895454545
  • 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.