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-97442
  • 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: 46
  • Number of elements: 4
  • Element list: ['K', 'Nd', 'P', 'O']
  • Chemical System: K-Nd-O-P
  • Density: 3.1793179282901796
  • Atomic Density: 0.07133744311866068
  • Unit Cell Volume: 644.8226623918229
  • Molar Volume: 8.441767039481556
  • Full Formula: K4 Nd2 P10 O30
  • Reduced Formula: K2Nd(PO3)5
  • Formula Anonymous: AB2C5D15
  • Spacegroup Number: 9
  • Spacegroup Symbol: C1c1
  • Crystal System: monoclinic
  • Pointgroup: m