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  1. Third-Parties
  2. MatprojStructure
  3. mp-1205996

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-1205996
  • 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: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Mn', 'Bi']
  • Chemical System: Bi-Mn-Zr
  • Density: 8.316735541580774
  • Atomic Density: 0.04418173292963615
  • Unit Cell Volume: 203.70409676626775
  • Molar Volume: 13.630386045723615
  • Full Formula: Zr6 Mn1 Bi2
  • Reduced Formula: Zr6MnBi2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -70.75648054
  • Final energy per atom: -7.861831171111111
  • 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.