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  1. Third-Parties
  2. MatprojStructure
  3. mp-5962

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-5962
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['Na', 'Mg', 'As']
  • Chemical System: As-Mg-Na
  • Density: 2.882363055209636
  • Atomic Density: 0.04260803069544753
  • Unit Cell Volume: 140.81852416241975
  • Molar Volume: 14.133816235359214
  • Full Formula: Na2 Mg2 As2
  • Reduced Formula: NaMgAs
  • Formula Anonymous: ABC
  • Spacegroup Number: 129
  • Spacegroup Symbol: P4/nmm1
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -18.98198594
  • Final energy per atom: -3.1636643233333337
  • 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.