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  1. Third-Parties
  2. MatprojStructure
  3. mp-15685

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-15685
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 8
  • Number of elements: 3
  • Element list: ['Na', 'Cu', 'As']
  • Chemical System: As-Cu-Na
  • Density: 3.6052630323773207
  • Atomic Density: 0.04708427928957221
  • Unit Cell Volume: 169.90809078332362
  • Molar Volume: 12.79013048700042
  • Full Formula: Na4 Cu2 As2
  • Reduced Formula: Na2CuAs
  • Formula Anonymous: ABC2
  • Spacegroup Number: 63
  • Spacegroup Symbol: Cmcm
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -25.74641299
  • Final energy per atom: -3.21830162375
  • 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.