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  1. Third-Parties
  2. MatprojStructure
  3. mp-1227233

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-1227233
  • 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: 27
  • Number of elements: 4
  • Element list: ['Ce', 'Al', 'Ni', 'C']
  • Chemical System: Al-C-Ce-Ni
  • Density: 4.787371173733655
  • Atomic Density: 0.061633559174041834
  • Unit Cell Volume: 438.0730297232546
  • Molar Volume: 9.770879437604085
  • Full Formula: Ce4 Al16 Ni4 C3
  • Reduced Formula: Ce4Al16Ni4C3
  • Formula Anonymous: A3B4C4D16
  • Spacegroup Number: 25
  • Spacegroup Symbol: Pmm2
  • Crystal System: orthorhombic
  • Pointgroup: mm2

Thermodynamics:

  • Final energy: -143.11092378
  • Final energy per atom: -5.300404584444444
  • 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.