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  1. Third-Parties
  2. MatprojStructure
  3. mp-1214142

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-1214142
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 34
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'Cl', 'O']
  • Chemical System: Ca-Cl-O-Si
  • Density: 2.9229292812541785
  • Atomic Density: 0.06826934790008092
  • Unit Cell Volume: 498.02731453891187
  • Molar Volume: 8.821148795523888
  • Full Formula: Ca11 Si4 Cl1 O18
  • Reduced Formula: Ca11Si4ClO18
  • Formula Anonymous: AB4C11D18
  • Spacegroup Number: 139
  • Spacegroup Symbol: I4/mmm
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -247.43290261
  • Final energy per atom: -7.277438312058824
  • 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.