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  1. Third-Parties
  2. MatprojStructure
  3. mp-1194843

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-1194843
  • 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: 176
  • Number of elements: 5
  • Element list: ['Ba', 'Mn', 'V', 'H', 'O']
  • Chemical System: Ba-H-Mn-O-V
  • Density: 4.073147444968379
  • Atomic Density: 0.07962697956798999
  • Unit Cell Volume: 2210.3061167819546
  • Molar Volume: 7.562940089744278
  • Full Formula: Ba4 Mn36 V24 H8 O104
  • Reduced Formula: BaMn9V6(HO13)2
  • Formula Anonymous: AB2C6D9E26
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1499.86861754
  • Final energy per atom: -8.521980781477273
  • 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.