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  1. Third-Parties
  2. MatprojStructure
  3. mp-1189631

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-1189631
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 20
  • Number of elements: 3
  • Element list: ['Ce', 'In', 'Ni']
  • Chemical System: Ce-In-Ni
  • Density: 8.2737239901456
  • Atomic Density: 0.049572502527861585
  • Unit Cell Volume: 403.449472593385
  • Molar Volume: 12.148147567525632
  • Full Formula: Ce2 In12 Ni6
  • Reduced Formula: Ce(In2Ni)3
  • Formula Anonymous: AB3C6
  • Spacegroup Number: 59
  • Spacegroup Symbol: Pmmn1
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -84.55606474999999
  • Final energy per atom: -4.2278032375
  • 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.