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  1. Third-Parties
  2. MatprojStructure
  3. mp-29135

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-29135
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Zr', 'Co', 'As']
  • Chemical System: As-Co-Zr
  • Density: 7.117220750596348
  • Atomic Density: 0.05101676258237458
  • Unit Cell Volume: 176.4126052778846
  • Molar Volume: 11.804239342463777
  • Full Formula: Zr6 Co1 As2
  • Reduced Formula: Zr6CoAs2
  • Formula Anonymous: AB2C6
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -74.28408707
  • Final energy per atom: -8.253787452222221
  • 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.