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  1. Third-Parties
  2. MatprojStructure
  3. mp-1247431

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-1247431
  • 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: 36
  • Number of elements: 3
  • Element list: ['Te', 'Ru', 'N']
  • Chemical System: N-Ru-Te
  • Density: 8.278600816558022
  • Atomic Density: 0.055048181579378415
  • Unit Cell Volume: 653.9725558071104
  • Molar Volume: 10.93976328957604
  • Full Formula: Te12 Ru16 N8
  • Reduced Formula: Te3(Ru2N)2
  • Formula Anonymous: A2B3C4
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -252.18232512
  • Final energy per atom: -7.005064586666666
  • 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.