Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1199248

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-1199248
  • 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: 76
  • Number of elements: 4
  • Element list: ['Cs', 'Mo', 'P', 'O']
  • Chemical System: Cs-Mo-O-P
  • Density: 3.3441847458522775
  • Atomic Density: 0.061154630610187444
  • Unit Cell Volume: 1242.7513540951638
  • Molar Volume: 9.84739945268642
  • Full Formula: Cs4 Mo8 P12 O52
  • Reduced Formula: CsMo2P3O13
  • Formula Anonymous: AB2C3D13
  • Spacegroup Number: 4
  • Spacegroup Symbol: P12_11
  • Crystal System: monoclinic
  • Pointgroup: 2

Thermodynamics:

  • Final energy: -600.32199498
  • Final energy per atom: -7.8989736181578944
  • 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.