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-23962
  • 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: 36
  • Number of elements: 4
  • Element list: ['Mg', 'P', 'H', 'O']
  • Chemical System: H-Mg-O-P
  • Density: 2.8075063060956515
  • Atomic Density: 0.0947543517050445
  • Unit Cell Volume: 379.9297800280707
  • Molar Volume: 6.355529484013551
  • Full Formula: Mg8 P4 H4 O20
  • Reduced Formula: Mg2PHO5
  • Formula Anonymous: ABC2D5
  • Spacegroup Number: 62
  • Spacegroup Symbol: Pnma
  • Crystal System: orthorhombic
  • Pointgroup: mmm