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  1. Third-Parties
  2. MatprojStructure
  3. mp-15727

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-15727
  • 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: 17
  • Number of elements: 3
  • Element list: ['La', 'P', 'Ru']
  • Chemical System: La-P-Ru
  • Density: 5.692846467357808
  • Atomic Density: 0.06370442749589339
  • Unit Cell Volume: 266.8574331210477
  • Molar Volume: 9.45325308886609
  • Full Formula: La1 P12 Ru4
  • Reduced Formula: La(P3Ru)4
  • Formula Anonymous: AB4C12
  • Spacegroup Number: 204
  • Spacegroup Symbol: Im-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -118.66109886
  • Final energy per atom: -6.980064638823529
  • 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.