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  1. Third-Parties
  2. MatprojStructure
  3. mp-1079823

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-1079823
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 9
  • Number of elements: 3
  • Element list: ['Hf', 'As', 'Os']
  • Chemical System: As-Hf-Os
  • Density: 14.748866205422527
  • Atomic Density: 0.060061825832038125
  • Unit Cell Volume: 149.84559452402175
  • Molar Volume: 10.026569583217158
  • Full Formula: Hf3 As3 Os3
  • Reduced Formula: HfAsOs
  • Formula Anonymous: ABC
  • Spacegroup Number: 189
  • Spacegroup Symbol: P-62m
  • Crystal System: hexagonal
  • Pointgroup: -62m

Thermodynamics:

  • Final energy: -82.55781099
  • Final energy per atom: -9.173090109999999
  • 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.