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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213518

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-1213518
  • Created at: Sept. 4, 2022, 2:44 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 74
  • Number of elements: 5
  • Element list: ['Cs', 'Si', 'Mo', 'P', 'O']
  • Chemical System: Cs-Mo-O-P-Si
  • Density: 3.1328299792531586
  • Atomic Density: 0.06568541593999977
  • Unit Cell Volume: 1126.5818894653141
  • Molar Volume: 9.16815502165795
  • Full Formula: Cs2 Si4 Mo6 P12 O50
  • Reduced Formula: CsSi2Mo3P6O25
  • Formula Anonymous: AB2C3D6E25
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -598.24218188
  • Final energy per atom: -8.084353809189189
  • 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.