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  1. Third-Parties
  2. MatprojStructure
  3. mp-1191281

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-1191281
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 4
  • Element list: ['La', 'P', 'H', 'O']
  • Chemical System: H-La-O-P
  • Density: 2.7700553167192763
  • Atomic Density: 0.08537441102920613
  • Unit Cell Volume: 257.68845412560347
  • Molar Volume: 7.05380064986903
  • Full Formula: La1 P3 H6 O12
  • Reduced Formula: LaP3(HO2)6
  • Formula Anonymous: AB3C6D12
  • Spacegroup Number: 174
  • Spacegroup Symbol: P-6
  • Crystal System: hexagonal
  • Pointgroup: -6

Thermodynamics:

  • Final energy: -151.03524291
  • Final energy per atom: -6.865238314090909
  • 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.