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  1. Third-Parties
  2. MatprojStructure
  3. mp-16464

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-16464
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 216
  • Number of elements: 4
  • Element list: ['O', 'P', 'In', 'Cs']
  • Chemical System: Cs-In-O-P
  • Density: 3.2029753942522228
  • Atomic Density: 0.06160235544100116
  • Unit Cell Volume: 3506.359431448545
  • Molar Volume: 9.7758287274707
  • Full Formula: Cs12 In12 P48 O144
  • Reduced Formula: CsIn(PO3)4
  • Formula Anonymous: ABC4D12
  • Spacegroup Number: 205
  • Spacegroup Symbol: Pa-3
  • Crystal System: cubic
  • Pointgroup: m-3

Thermodynamics:

  • Final energy: -1576.14421453
  • Final energy per atom: -7.296963956157407
  • 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.