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  1. Third-Parties
  2. MatprojStructure
  3. mp-6227

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-6227
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 24
  • Number of elements: 4
  • Element list: ['Ca', 'Zn', 'Si', 'O']
  • Chemical System: Ca-O-Si-Zn
  • Density: 3.2946599682566857
  • Atomic Density: 0.07588993946562823
  • Unit Cell Volume: 316.2474521523368
  • Molar Volume: 7.935361132719738
  • Full Formula: Ca4 Zn2 Si4 O14
  • Reduced Formula: Ca2ZnSi2O7
  • Formula Anonymous: AB2C2D7
  • Spacegroup Number: 113
  • Spacegroup Symbol: P-42_1m
  • Crystal System: tetragonal
  • Pointgroup: -42m

Thermodynamics:

  • Final energy: -177.26858145
  • Final energy per atom: -7.38619089375
  • 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.