Download Simmate

You can install Simmate to host your own server and access advanced features

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-734377

Entry Data

Table mix-ins: ['Structure', 'Thermodynamics'] Extra columns: ['energy_uncorrected', 'band_gap', 'is_gap_direct', 'is_magnetic', 'total_magnetization', 'is_theoretical']

Base Information:

  • Database Entry ID: mp-734377
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 104
  • Number of elements: 5
  • Element list: ['K', 'Cd', 'P', 'H', 'O']
  • Chemical System: Cd-H-K-O-P
  • Density: 2.457530068286492
  • Atomic Density: 0.08356152765918955
  • Unit Cell Volume: 1244.5918943005677
  • Molar Volume: 7.206834207916404
  • Full Formula: K4 Cd4 P12 H32 O52
  • Reduced Formula: KCdP3H8O13
  • Formula Anonymous: ABC3D8E13
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -641.47933464
  • Final energy per atom: -6.168070525384616
  • Energy above hull: None
  • Is thermodynamically stable?: None
  • Decomposes to: None
  • Formation energy None
  • Formation energy per atom: None
Note: stabilities and hull energies are updated on a running schedule, so newer materials may have these fields blank.