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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214310

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-1214310
  • 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: 42
  • Number of elements: 4
  • Element list: ['Ca', 'Gd', 'Si', 'O']
  • Chemical System: Ca-Gd-O-Si
  • Density: 5.1379081300650515
  • Atomic Density: 0.07697230443895506
  • Unit Cell Volume: 545.6508065613291
  • Molar Volume: 7.823776102190131
  • Full Formula: Ca4 Gd6 Si6 O26
  • Reduced Formula: Ca2Gd3Si3O13
  • Formula Anonymous: A2B3C3D13
  • Spacegroup Number: 176
  • Spacegroup Symbol: P6_3/m
  • Crystal System: hexagonal
  • Pointgroup: 6/m

Thermodynamics:

  • Final energy: -401.8143186900001
  • Final energy per atom: -9.567007587857145
  • 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.