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  1. Third-Parties
  2. MatprojStructure
  3. mp-542450

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-542450
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 55
  • Number of elements: 4
  • Element list: ['Cs', 'Mn', 'P', 'O']
  • Chemical System: Cs-Mn-O-P
  • Density: 3.0765322862377156
  • Atomic Density: 0.0650648875648973
  • Unit Cell Volume: 845.3099983480593
  • Molar Volume: 9.255592356158873
  • Full Formula: Cs3 Mn4 P12 O36
  • Reduced Formula: Cs3Mn4(PO3)12
  • Formula Anonymous: A3B4C12D36
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -426.43899802
  • Final energy per atom: -7.753436327636363
  • 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.