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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227915

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-1227915
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 3
  • Element list: ['Ce', 'Cu', 'Au']
  • Chemical System: Au-Ce-Cu
  • Density: 9.25806759247394
  • Atomic Density: 0.06636153503790325
  • Unit Cell Volume: 421.9311681685398
  • Molar Volume: 9.07474602050778
  • Full Formula: Ce4 Cu22 Au2
  • Reduced Formula: Ce2Cu11Au
  • Formula Anonymous: AB2C11
  • Spacegroup Number: 26
  • Spacegroup Symbol: Pmc2_1
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -125.05612548
  • Final energy per atom: -4.4662901957142855
  • 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.