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  1. Third-Parties
  2. MatprojStructure
  3. mp-1224295

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-1224295
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Hf', 'Ta', 'B']
  • Chemical System: B-Hf-Ta
  • Density: 14.394611883506492
  • Atomic Density: 0.07695377358932914
  • Unit Cell Volume: 129.94814332778424
  • Molar Volume: 7.8256601062057145
  • Full Formula: Hf1 Ta5 B4
  • Reduced Formula: HfTa5B4
  • Formula Anonymous: AB4C5
  • Spacegroup Number: 83
  • Spacegroup Symbol: P4/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -101.96114762
  • Final energy per atom: -10.196114762
  • 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.