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  1. Third-Parties
  2. MatprojStructure
  3. mp-1232371

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-1232371
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 40
  • Number of elements: 3
  • Element list: ['La', 'Si', 'P']
  • Chemical System: La-P-Si
  • Density: 4.032536915911366
  • Atomic Density: 0.04671673685119861
  • Unit Cell Volume: 856.2241863640294
  • Molar Volume: 12.890756431001645
  • Full Formula: La8 Si8 P24
  • Reduced Formula: LaSiP3
  • Formula Anonymous: ABC3
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -238.48210252
  • Final energy per atom: -5.962052563
  • 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.