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  1. Third-Parties
  2. MatprojStructure
  3. mp-686702

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-686702
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 79
  • Number of elements: 5
  • Element list: ['Ca', 'Al', 'Si', 'Ag', 'O']
  • Chemical System: Ag-Al-Ca-O-Si
  • Density: 1.6571306398526657
  • Atomic Density: 0.041194482141820116
  • Unit Cell Volume: 1917.7325673867424
  • Molar Volume: 14.618804380809049
  • Full Formula: Ca4 Al11 Si13 Ag3 O48
  • Reduced Formula: Ca4Al11Si13(AgO16)3
  • Formula Anonymous: A3B4C11D13E48
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -611.4222294
  • Final energy per atom: -7.7395218911392405
  • 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.