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  1. Third-Parties
  2. MatprojStructure
  3. mp-1221272

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-1221272
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 10
  • Number of elements: 4
  • Element list: ['Na', 'Zn', 'Si', 'As']
  • Chemical System: As-Na-Si-Zn
  • Density: 4.34721774210049
  • Atomic Density: 0.04593078508809202
  • Unit Cell Volume: 217.71889987991065
  • Molar Volume: 13.111338611891693
  • Full Formula: Na2 Zn3 Si1 As4
  • Reduced Formula: Na2Zn3SiAs4
  • Formula Anonymous: AB2C3D4
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -33.33085932
  • Final energy per atom: -3.3330859320000004
  • 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.