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  1. Third-Parties
  2. MatprojStructure
  3. mp-1217108

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-1217108
  • 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: 9
  • Number of elements: 3
  • Element list: ['Ti', 'B', 'N']
  • Chemical System: B-N-Ti
  • Density: 4.2090767492583865
  • Atomic Density: 0.08942369351975148
  • Unit Cell Volume: 100.6444673190794
  • Molar Volume: 6.734390543452399
  • Full Formula: Ti4 B2 N3
  • Reduced Formula: Ti4B2N3
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -77.27359046999999
  • Final energy per atom: -8.585954496666666
  • 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.