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-117016
  • 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: 22
  • Number of elements: 4
  • Element list: ['Mn', 'Ni', 'P', 'O']
  • Chemical System: Mn-Ni-O-P
  • Density: 3.9577408166433945
  • Atomic Density: 0.09116752355776546
  • Unit Cell Volume: 241.3140024151296
  • Molar Volume: 6.6055767722858665
  • Full Formula: Mn2 Ni2 P4 O14
  • Reduced Formula: MnNiP2O7
  • Formula Anonymous: ABC2D7
  • Spacegroup Number: 5
  • Spacegroup Symbol: C121
  • Crystal System: monoclinic
  • Pointgroup: 2