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  1. Third-Parties
  2. MatprojStructure
  3. mp-1087495

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-1087495
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 2
  • Element list: ['Tc', 'B']
  • Chemical System: B-Tc
  • Density: 10.303610336146631
  • Atomic Density: 0.0814272343214766
  • Unit Cell Volume: 98.24722731482953
  • Molar Volume: 7.395732902120254
  • Full Formula: Tc6 B2
  • Reduced Formula: Tc3B
  • Formula Anonymous: AB3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -77.64766725
  • Final energy per atom: -9.70595840625
  • 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.