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-117509
  • Created at: Sept. 4, 2022, 2:38 p.m.
  • Last updated at: Sept. 4, 2022, 2:38 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 6
  • Number of elements: 3
  • Element list: ['B', 'P', 'O']
  • Chemical System: B-O-P
  • Density: 3.7251192108049778
  • Atomic Density: 0.12724158443162834
  • Unit Cell Volume: 47.15439552879841
  • Molar Volume: 4.7328401221189775
  • Full Formula: B1 P1 O4
  • Reduced Formula: BPO4
  • Formula Anonymous: ABC4
  • Spacegroup Number: 65
  • Spacegroup Symbol: Cmmm
  • Crystal System: orthorhombic
  • Pointgroup: mmm