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-56632
  • 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: 23
  • Number of elements: 4
  • Element list: ['Ba', 'Mo', 'P', 'O']
  • Chemical System: Ba-Mo-O-P
  • Density: 4.415941406679505
  • Atomic Density: 0.07289994131412829
  • Unit Cell Volume: 315.5009398552494
  • Molar Volume: 8.26083073791568
  • Full Formula: Ba1 Mo4 P2 O16
  • Reduced Formula: BaMo4(PO8)2
  • Formula Anonymous: AB2C4D16
  • Spacegroup Number: 121
  • Spacegroup Symbol: I-42m
  • Crystal System: tetragonal
  • Pointgroup: -42m