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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217082

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-1217082
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Ti', 'B', 'Mo']
  • Chemical System: B-Mo-Ti
  • Density: 6.9011922485740795
  • Atomic Density: 0.0875563842859622
  • Unit Cell Volume: 114.21211692958508
  • Molar Volume: 6.878014446475404
  • Full Formula: Ti3 B4 Mo3
  • Reduced Formula: Ti3B4Mo3
  • Formula Anonymous: A3B3C4
  • Spacegroup Number: 38
  • Spacegroup Symbol: Amm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -89.61476871
  • Final energy per atom: -8.961476871
  • 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.