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-61574
  • Created at: Sept. 4, 2022, 2:35 p.m.
  • Last updated at: Sept. 4, 2022, 2:35 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['B', 'As', 'O']
  • Chemical System: As-B-O
  • Density: 3.572985791803139
  • Atomic Density: 0.08622318027687553
  • Unit Cell Volume: 69.58685565451312
  • Molar Volume: 6.984363996621332
  • Full Formula: B1 As1 O4
  • Reduced Formula: BAsO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 82
  • Spacegroup Symbol: I-4
  • Crystal System: tetragonal
  • Pointgroup: -4