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  1. Third-Parties
  2. MatprojStructure
  3. mp-1228018

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-1228018
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 5
  • Element list: ['Ba', 'V', 'Ni', 'As', 'O']
  • Chemical System: As-Ba-Ni-O-V
  • Density: 4.941200041076007
  • Atomic Density: 0.0748861186654024
  • Unit Cell Volume: 520.7907779845734
  • Molar Volume: 8.041731721879513
  • Full Formula: Ba3 V2 Ni6 As4 O24
  • Reduced Formula: Ba3V2Ni6(AsO6)4
  • Formula Anonymous: A2B3C4D6E24
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -276.29674476
  • Final energy per atom: -7.084531916923077
  • 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.