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  1. Third-Parties
  2. MatprojStructure
  3. mp-1199415

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-1199415
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 72
  • Number of elements: 4
  • Element list: ['Mn', 'V', 'H', 'O']
  • Chemical System: H-Mn-O-V
  • Density: 3.671881269003745
  • Atomic Density: 0.08229724201971858
  • Unit Cell Volume: 874.8774349296987
  • Molar Volume: 7.317548695686647
  • Full Formula: Mn16 V8 H8 O40
  • Reduced Formula: Mn2VHO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -595.36228067
  • Final energy per atom: -8.268920564861112
  • 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.