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  1. Third-Parties
  2. MatprojStructure
  3. mp-17684

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-17684
  • 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: 29
  • Number of elements: 3
  • Element list: ['La', 'Ni', 'P']
  • Chemical System: La-Ni-P
  • Density: 5.372054096416287
  • Atomic Density: 0.054795915140988256
  • Unit Cell Volume: 529.2365302301068
  • Molar Volume: 10.9901271737231
  • Full Formula: La6 Ni6 P17
  • Reduced Formula: La6Ni6P17
  • Formula Anonymous: A6B6C17
  • Spacegroup Number: 217
  • Spacegroup Symbol: I-43m
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -183.11801662
  • Final energy per atom: -6.314414366206896
  • 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.