Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-703231

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-703231
  • 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: 35
  • Number of elements: 5
  • Element list: ['Cd', 'Fe', 'Sb', 'P', 'O']
  • Chemical System: Cd-Fe-O-P-Sb
  • Density: 3.695870969157625
  • Atomic Density: 0.07508772029907929
  • Unit Cell Volume: 466.12148911423486
  • Molar Volume: 8.02014062487637
  • Full Formula: Cd1 Fe2 Sb2 P6 O24
  • Reduced Formula: CdFe2Sb2(PO4)6
  • Formula Anonymous: AB2C2D6E24
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -259.73895429000004
  • Final energy per atom: -7.4211129797142865
  • 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.