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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191981

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-1191981
  • 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: 21
  • Number of elements: 3
  • Element list: ['Ta', 'B', 'Ru']
  • Chemical System: B-Ru-Ta
  • Density: 13.081464848683723
  • Atomic Density: 0.08442513083267746
  • Unit Cell Volume: 248.74110105461364
  • Molar Volume: 7.133113920706037
  • Full Formula: Ta7 B8 Ru6
  • Reduced Formula: Ta7(B4Ru3)2
  • Formula Anonymous: A6B7C8
  • Spacegroup Number: 175
  • Spacegroup Symbol: P6/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -205.82314077
  • Final energy per atom: -9.801101941428572
  • 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.