Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1229288

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-1229288
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 47
  • Number of elements: 2
  • Element list: ['Ce', 'Ni']
  • Chemical System: Ce-Ni
  • Density: 9.091934601422775
  • Atomic Density: 0.06465911572493413
  • Unit Cell Volume: 726.8890004611625
  • Molar Volume: 9.313676335474096
  • Full Formula: Ce15 Ni32
  • Reduced Formula: Ce15Ni32
  • Formula Anonymous: A15B32
  • Spacegroup Number: 216
  • Spacegroup Symbol: F-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -291.85179877
  • Final energy per atom: -6.209612739787234
  • 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.