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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214227

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-1214227
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ca', 'La', 'Si', 'O']
  • Chemical System: Ca-La-O-Si
  • Density: 4.4628231166726255
  • Atomic Density: 0.07152143339598592
  • Unit Cell Volume: 587.2365528171478
  • Molar Volume: 8.420050429719138
  • Full Formula: Ca4 La6 Si6 O26
  • Reduced Formula: Ca2La3Si3O13
  • Formula Anonymous: A2B3C3D13
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -347.8607726900001
  • Final energy per atom: -8.282399349761906
  • 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.