Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1195634

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-1195634
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 50
  • Number of elements: 6
  • Element list: ['Cs', 'Na', 'Mn', 'P', 'Cl', 'O']
  • Chemical System: Cl-Cs-Mn-Na-O-P
  • Density: 3.3752205359528853
  • Atomic Density: 0.06989329150164458
  • Unit Cell Volume: 715.376238917343
  • Molar Volume: 8.616192814239259
  • Full Formula: Cs2 Na4 Mn6 P8 Cl2 O28
  • Reduced Formula: CsNa2Mn3P4ClO14
  • Formula Anonymous: ABC2D3E4F14
  • Spacegroup Number: 15
  • Spacegroup Symbol: C12/c1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -376.37824156
  • Final energy per atom: -7.527564831199999
  • 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.