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-58266
  • 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: 16
  • Number of elements: 5
  • Element list: ['Na', 'Er', 'P', 'O', 'F']
  • Chemical System: Er-F-Na-O-P
  • Density: 5.299490072487629
  • Atomic Density: 0.08392460436593185
  • Unit Cell Volume: 190.64730922336048
  • Molar Volume: 7.1756558228645195
  • Full Formula: Na2 Er2 P2 O8 F2
  • Reduced Formula: NaErPO4F
  • Formula Anonymous: ABCDE4
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m