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  1. Third-Parties
  2. MatprojStructure
  3. mp-1077096

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-1077096
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 2
  • Element list: ['Re', 'N']
  • Chemical System: N-Re
  • Density: 11.376620159038467
  • Atomic Density: 0.09594549537923473
  • Unit Cell Volume: 62.535504937301795
  • Molar Volume: 6.2766268871684385
  • Full Formula: Re2 N4
  • Reduced Formula: ReN2
  • Formula Anonymous: AB2
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -57.81075131
  • Final energy per atom: -9.635125218333334
  • 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.