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  1. Third-Parties
  2. MatprojStructure
  3. mp-989611

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-989611
  • 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: 10
  • Number of elements: 3
  • Element list: ['Y', 'Re', 'N']
  • Chemical System: N-Re-Y
  • Density: 8.894777827770577
  • Atomic Density: 0.08445291497820169
  • Unit Cell Volume: 118.40917513126834
  • Molar Volume: 7.1307671991598935
  • Full Formula: Y2 Re2 N6
  • Reduced Formula: YReN3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 167
  • Spacegroup Symbol: R-3cH
  • Crystal System: trigonal
  • Pointgroup: -3m

Thermodynamics:

  • Final energy: -96.39656984
  • Final energy per atom: -9.639656984
  • 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.