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  1. Third-Parties
  2. MatprojStructure
  3. mp-1234365

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-1234365
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 19
  • Number of elements: 4
  • Element list: ['Ca', 'Si', 'Ag', 'O']
  • Chemical System: Ag-Ca-O-Si
  • Density: 5.526194193202632
  • Atomic Density: 0.058160117662175444
  • Unit Cell Volume: 326.6843459698963
  • Molar Volume: 10.35441639746976
  • Full Formula: Ca1 Si2 Ag8 O8
  • Reduced Formula: CaSi2(AgO)8
  • Formula Anonymous: AB2C8D8
  • Spacegroup Number: 81
  • Spacegroup Symbol: P-4
  • Crystal System: tetragonal
  • Pointgroup: -4

Thermodynamics:

  • Final energy: -100.17195827
  • Final energy per atom: -5.272208330000001
  • 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.