Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-734399

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-734399
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 30
  • Number of elements: 4
  • Element list: ['K', 'Cd', 'Se', 'O']
  • Chemical System: Cd-K-O-Se
  • Density: 3.325531065179741
  • Atomic Density: 0.05907364460974511
  • Unit Cell Volume: 507.84068256135726
  • Molar Volume: 10.194293580129903
  • Full Formula: K4 Cd2 Se4 O20
  • Reduced Formula: K2Cd(SeO5)2
  • Formula Anonymous: AB2C2D10
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -153.01622745
  • Final energy per atom: -5.100540915
  • 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.