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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221989

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-1221989
  • 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: 77
  • Number of elements: 4
  • Element list: ['Na', 'Cd', 'N', 'O']
  • Chemical System: Cd-N-Na-O
  • Density: 2.285389615864443
  • Atomic Density: 0.05651933203099149
  • Unit Cell Volume: 1362.3657115724272
  • Molar Volume: 10.655010495697034
  • Full Formula: Na4 Cd7 N30 O36
  • Reduced Formula: Na4Cd7(N5O6)6
  • Formula Anonymous: A4B7C30D36
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -489.57545424000006
  • Final energy per atom: -6.358122782337663
  • 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.