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  1. Third-Parties
  2. MatprojStructure
  3. mp-568017

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-568017
  • 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: 52
  • Number of elements: 3
  • Element list: ['Ga', 'Cu', 'W']
  • Chemical System: Cu-Ga-W
  • Density: 8.50137268254568
  • Atomic Density: 0.05963200662194107
  • Unit Cell Volume: 872.0149286552275
  • Molar Volume: 10.098839702275265
  • Full Formula: Ga32 Cu12 W8
  • Reduced Formula: Ga8Cu3W2
  • Formula Anonymous: A2B3C8
  • Spacegroup Number: 220
  • Spacegroup Symbol: I-43d
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -255.41761516
  • Final energy per atom: -4.911877214615385
  • 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.