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  1. Third-Parties
  2. MatprojStructure
  3. mp-989546

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-989546
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 3
  • Element list: ['Sr', 'Tc', 'N']
  • Chemical System: N-Sr-Tc
  • Density: 4.929941673152915
  • Atomic Density: 0.06520995796561455
  • Unit Cell Volume: 153.35081193079495
  • Molar Volume: 9.235001751075346
  • Full Formula: Sr2 Tc2 N6
  • Reduced Formula: SrTcN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -79.63568953
  • Final energy per atom: -7.963568952999999
  • 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.