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  1. Third-Parties
  2. MatprojStructure
  3. mp-1197678

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-1197678
  • 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: 72
  • Number of elements: 4
  • Element list: ['V', 'Cu', 'H', 'O']
  • Chemical System: Cu-H-O-V
  • Density: 4.256019480299866
  • Atomic Density: 0.08904977020735852
  • Unit Cell Volume: 808.536617582988
  • Molar Volume: 6.762668500970896
  • Full Formula: V8 Cu16 H8 O40
  • Reduced Formula: VCu2HO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 19
  • Spacegroup Symbol: P2_12_121
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -470.86109482000006
  • Final energy per atom: -6.539737428055556
  • 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.