Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1218628

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-1218628
  • Created at: Sept. 4, 2022, 2:43 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 42
  • Number of elements: 5
  • Element list: ['Sr', 'Cd', 'P', 'O', 'F']
  • Chemical System: Cd-F-O-P-Sr
  • Density: 4.6418584760936445
  • Atomic Density: 0.07301489270267163
  • Unit Cell Volume: 575.2251142931997
  • Molar Volume: 8.24782525466842
  • Full Formula: Sr5 Cd5 P6 O24 F2
  • Reduced Formula: Sr5Cd5P6(O12F)2
  • Formula Anonymous: A2B5C5D6E24
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -287.08309629
  • Final energy per atom: -6.835311816428572
  • 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.