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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205427

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-1205427
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 18
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'Ni', 'H', 'O']
  • Chemical System: Ba-H-Ni-O-V
  • Density: 4.430555439653012
  • Atomic Density: 0.08319169351445505
  • Unit Cell Volume: 216.36775547636128
  • Molar Volume: 7.238872663355046
  • Full Formula: Ba1 V2 Ni3 H2 O10
  • Reduced Formula: BaV2Ni3(HO5)2
  • Formula Anonymous: AB2C2D3E10
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -130.01217364
  • Final energy per atom: -7.222898535555554
  • 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.