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  1. Third-Parties
  2. MatprojStructure
  3. mp-1215279

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-1215279
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 12
  • Number of elements: 3
  • Element list: ['Zr', 'V', 'Ni']
  • Chemical System: Ni-V-Zr
  • Density: 7.245619873466258
  • Atomic Density: 0.06517133587789173
  • Unit Cell Volume: 184.130029534515
  • Molar Volume: 9.24047463333172
  • Full Formula: Zr4 V4 Ni4
  • Reduced Formula: ZrVNi
  • Formula Anonymous: ABC
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -96.50829209
  • Final energy per atom: -8.042357674166666
  • 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.