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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189186

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-1189186
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ta', 'B', 'Os']
  • Chemical System: B-Os-Ta
  • Density: 15.792530816178234
  • Atomic Density: 0.0828803615412191
  • Unit Cell Volume: 241.31168865682795
  • Molar Volume: 7.266064780623567
  • Full Formula: Ta8 B8 Os4
  • Reduced Formula: Ta2B2Os
  • Formula Anonymous: AB2C2
  • Spacegroup Number: 128
  • Spacegroup Symbol: P4/mnc
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -206.14473431
  • Final energy per atom: -10.3072367155
  • 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.