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-51719
  • 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: 8
  • Number of elements: 5
  • Element list: ['K', 'P', 'H', 'S', 'O']
  • Chemical System: H-K-O-P-S
  • Density: 2.2200169032201784
  • Atomic Density: 0.0702945984349764
  • Unit Cell Volume: 113.80675298117144
  • Molar Volume: 8.567003573639552
  • Full Formula: K1 P1 H2 S1 O3
  • Reduced Formula: KPH2SO3
  • Formula Anonymous: ABCD2E3
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m