Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-622048

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-622048
  • 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: 57
  • Number of elements: 4
  • Element list: ['Cs', 'Mo', 'P', 'O']
  • Chemical System: Cs-Mo-O-P
  • Density: 3.532119023606538
  • Atomic Density: 0.06408016456466951
  • Unit Cell Volume: 889.5108242500809
  • Molar Volume: 9.397823493294052
  • Full Formula: Cs3 Mo6 P10 O38
  • Reduced Formula: Cs3Mo6(P5O19)2
  • Formula Anonymous: A3B6C10D38
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -453.95225875
  • Final energy per atom: -7.964074714912281
  • 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.