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  1. Third-Parties
  2. MatprojStructure
  3. mp-684826

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-684826
  • 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: 36
  • Number of elements: 5
  • Element list: ['Cd', 'Fe', 'Sn', 'P', 'O']
  • Chemical System: Cd-Fe-O-P-Sn
  • Density: 3.9196426686168926
  • Atomic Density: 0.07429591069454794
  • Unit Cell Volume: 484.5488757518089
  • Molar Volume: 8.105615374658733
  • Full Formula: Cd2 Fe2 Sn2 P6 O24
  • Reduced Formula: CdFeSn(PO4)3
  • Formula Anonymous: ABCD3E12
  • Spacegroup Number: 161
  • Spacegroup Symbol: R3cH
  • Crystal System: trigonal
  • Pointgroup: 3m

Thermodynamics:

  • Final energy: -263.8762406
  • Final energy per atom: -7.329895572222223
  • 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.