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  1. Third-Parties
  2. MatprojStructure
  3. mp-1204913

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-1204913
  • 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: 52
  • Number of elements: 4
  • Element list: ['Cs', 'V', 'H', 'O']
  • Chemical System: Cs-H-O-V
  • Density: 3.204238904458783
  • Atomic Density: 0.052075981423123405
  • Unit Cell Volume: 998.5409507214843
  • Molar Volume: 11.564142615132695
  • Full Formula: Cs8 V8 H8 O28
  • Reduced Formula: Cs2V2H2O7
  • Formula Anonymous: A2B2C2D7
  • Spacegroup Number: 57
  • Spacegroup Symbol: Pbcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -357.5727313
  • Final energy per atom: -6.8763986788461535
  • 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.