Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1196256

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-1196256
  • 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: 55
  • Number of elements: 5
  • Element list: ['Cs', 'Zn', 'P', 'H', 'O']
  • Chemical System: Cs-H-O-P-Zn
  • Density: 2.9118631450830286
  • Atomic Density: 0.07772939267952078
  • Unit Cell Volume: 707.5830403920131
  • Molar Volume: 7.747572124780851
  • Full Formula: Cs2 Zn5 P6 H14 O28
  • Reduced Formula: Cs2Zn5P6(HO2)14
  • Formula Anonymous: A2B5C6D14E28
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -338.73589925
  • Final energy per atom: -6.158834531818181
  • 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.