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  1. Third-Parties
  2. MatprojStructure
  3. mp-1044577

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-1044577
  • 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: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Zn', 'Ni', 'O']
  • Chemical System: Ba-Ni-O-Zn
  • Density: 5.289413165422513
  • Atomic Density: 0.07885879462627239
  • Unit Cell Volume: 177.5325132263155
  • Molar Volume: 7.636612743753098
  • Full Formula: Ba1 Zn1 Ni4 O8
  • Reduced Formula: BaZn(NiO2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -83.12617062999999
  • Final energy per atom: -5.9375836164285705
  • 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.