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-116892
  • 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: 25
  • Number of elements: 5
  • Element list: ['Na', 'Ni', 'P', 'C', 'O']
  • Chemical System: C-Na-Ni-O-P
  • Density: 3.089384607989215
  • Atomic Density: 0.0857682111409479
  • Unit Cell Volume: 291.483285793568
  • Molar Volume: 7.021413504944699
  • Full Formula: Na5 Ni2 P2 C2 O14
  • Reduced Formula: Na5Ni2P2(CO7)2
  • Formula Anonymous: A2B2C2D5E14
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m