Download Simmate

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

learn more

Entry Data

Table mix-ins: ['Structure'] Extra columns: ['energy_above_hull']

Base Information:

  • Database Entry ID: jvasp-58163
  • Created at: Sept. 4, 2022, 2:37 p.m.
  • Last updated at: Sept. 4, 2022, 2:37 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 14
  • Number of elements: 4
  • Element list: ['Ba', 'Ca', 'Ag', 'O']
  • Chemical System: Ag-Ba-Ca-O
  • Density: 5.470878491373963
  • Atomic Density: 0.0625955361564536
  • Unit Cell Volume: 223.65812100415408
  • Molar Volume: 9.62071919145806
  • Full Formula: Ba1 Ca1 Ag4 O8
  • Reduced Formula: BaCa(AgO2)4
  • Formula Anonymous: ABC4D8
  • Spacegroup Number: 162
  • Spacegroup Symbol: P-31m
  • Crystal System: trigonal
  • Pointgroup: -31m