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  1. Third-Parties
  2. MatprojStructure
  3. mp-1245735

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-1245735
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 3
  • Number of elements: 3
  • Element list: ['Na', 'Cd', 'N']
  • Chemical System: Cd-N-Na
  • Density: 4.023706508332871
  • Atomic Density: 0.048654850581274424
  • Unit Cell Volume: 61.65880614490258
  • Molar Volume: 12.377266989938544
  • Full Formula: Na1 Cd1 N1
  • Reduced Formula: NaCdN
  • Formula Anonymous: ABC
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -9.90621446
  • Final energy per atom: -3.3020714866666663
  • 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.