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-98647
  • Created at: Sept. 4, 2022, 2:36 p.m.
  • Last updated at: Sept. 4, 2022, 2:36 p.m.
  • Input Source: JARVIS

Structure:

  • Number of sites: 27
  • Number of elements: 5
  • Element list: ['Ca', 'V', 'P', 'H', 'O']
  • Chemical System: Ca-H-O-P-V
  • Density: 2.8473419929513195
  • Atomic Density: 0.10619498940193989
  • Unit Cell Volume: 254.24928381326046
  • Molar Volume: 5.670833241676459
  • Full Formula: Ca1 V2 P2 H8 O14
  • Reduced Formula: CaV2P2(H4O7)2
  • Formula Anonymous: AB2C2D8E14
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1