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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214139

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-1214139
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 39
  • Number of elements: 3
  • Element list: ['Ce', 'Ni', 'P']
  • Chemical System: Ce-Ni-P
  • Density: 7.470696354736104
  • Atomic Density: 0.07258717481806366
  • Unit Cell Volume: 537.2849969399093
  • Molar Volume: 8.296425332841803
  • Full Formula: Ce6 Ni20 P13
  • Reduced Formula: Ce6Ni20P13
  • Formula Anonymous: A6B13C20
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -256.53560523
  • Final energy per atom: -6.577836031538461
  • 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.