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  1. Third-Parties
  2. MatprojStructure
  3. mp-686598

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-686598
  • 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: 62
  • Number of elements: 5
  • Element list: ['Ca', 'Mg', 'Si', 'Cl', 'O']
  • Chemical System: Ca-Cl-Mg-O-Si
  • Density: 2.6884760402889194
  • Atomic Density: 0.06400442248085969
  • Unit Cell Volume: 968.6830627764964
  • Molar Volume: 9.408944767528997
  • Full Formula: Ca16 Mg2 Si8 Cl4 O32
  • Reduced Formula: Ca8MgSi4(ClO8)2
  • Formula Anonymous: AB2C4D8E16
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -428.92190634
  • Final energy per atom: -6.918095263548388
  • 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.