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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217026

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-1217026
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Ti', 'B', 'Mo']
  • Chemical System: B-Mo-Ti
  • Density: 5.964642160254201
  • Atomic Density: 0.11521963962072727
  • Unit Cell Volume: 52.07445553336584
  • Molar Volume: 5.226661687038168
  • Full Formula: Ti1 B4 Mo1
  • Reduced Formula: TiB4Mo
  • Formula Anonymous: ABC4
  • Spacegroup Number: 191
  • Spacegroup Symbol: P6/mmm
  • Crystal System: hexagonal
  • Pointgroup: 6/mmm

Thermodynamics:

  • Final energy: -49.56038191
  • Final energy per atom: -8.260063651666666
  • 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.