Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1224252

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-1224252
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 139
  • Number of elements: 4
  • Element list: ['Na', 'Cd', 'Ga', 'Cu']
  • Chemical System: Cd-Cu-Ga-Na
  • Density: 4.757878742906391
  • Atomic Density: 0.04789531064336025
  • Unit Cell Volume: 2902.163032932946
  • Molar Volume: 12.573549850928575
  • Full Formula: Na34 Cd6 Ga92 Cu7
  • Reduced Formula: Na34Cd6Ga92Cu7
  • Formula Anonymous: A6B7C34D92
  • Spacegroup Number: 160
  • Spacegroup Symbol: R3mH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -375.92380906
  • Final energy per atom: -2.704487834964029
  • 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.