Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1214863

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-1214863
  • 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: 46
  • Number of elements: 5
  • Element list: ['Al', 'Si', 'Ag', 'I', 'O']
  • Chemical System: Ag-Al-I-O-Si
  • Density: 4.0713284482199565
  • Atomic Density: 0.061591780937898466
  • Unit Cell Volume: 746.8528965963934
  • Molar Volume: 9.777507109385231
  • Full Formula: Al6 Si6 Ag8 I2 O24
  • Reduced Formula: Al3Si3Ag4IO12
  • Formula Anonymous: AB3C3D4E12
  • Spacegroup Number: 218
  • Spacegroup Symbol: P-43n
  • Crystal System: cubic
  • Pointgroup: -43m

Thermodynamics:

  • Final energy: -315.92684833
  • Final energy per atom: -6.8679749636956515
  • 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.