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  1. Third-Parties
  2. MatprojStructure
  3. mp-1028278

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-1028278
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 16
  • Number of elements: 3
  • Element list: ['Ca', 'Ce', 'Mg']
  • Chemical System: Ca-Ce-Mg
  • Density: 2.1924308687509475
  • Atomic Density: 0.0405887893963848
  • Unit Cell Volume: 394.1975170470372
  • Molar Volume: 14.836955843123487
  • Full Formula: Ca1 Ce1 Mg14
  • Reduced Formula: CaCeMg14
  • Formula Anonymous: ABC14
  • Spacegroup Number: 187
  • Spacegroup Symbol: P-6m2
  • Crystal System: hexagonal
  • Pointgroup: -6m2

Thermodynamics:

  • Final energy: -29.71852012
  • Final energy per atom: -1.8574075075
  • 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.