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  1. Third-Parties
  2. MatprojStructure
  3. mp-9964

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-9964
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 5
  • Number of elements: 3
  • Element list: ['Ti', 'Tl', 'N']
  • Chemical System: N-Ti-Tl
  • Density: 8.032508960953571
  • Atomic Density: 0.06681505843451964
  • Unit Cell Volume: 74.83343002536053
  • Molar Volume: 9.013148983326628
  • Full Formula: Ti3 Tl1 N1
  • Reduced Formula: Ti3TlN
  • Formula Anonymous: ABC3
  • Spacegroup Number: 221
  • Spacegroup Symbol: Pm-3m
  • Crystal System: cubic
  • Pointgroup: m-3m

Thermodynamics:

  • Final energy: -38.51669799
  • Final energy per atom: -7.7033395979999995
  • 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.