Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233569

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-1233569
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 37
  • Number of elements: 6
  • Element list: ['Mg', 'Fe', 'Co', 'Sb', 'P', 'O']
  • Chemical System: Co-Fe-Mg-O-P-Sb
  • Density: 3.5350133743403918
  • Atomic Density: 0.07866505131747004
  • Unit Cell Volume: 470.34864123686134
  • Molar Volume: 7.655420875143566
  • Full Formula: Mg1 Fe3 Co2 Sb1 P6 O24
  • Reduced Formula: MgFe3Co2Sb(PO4)6
  • Formula Anonymous: ABC2D3E6F24
  • Spacegroup Number: 146
  • Spacegroup Symbol: R3H
  • Crystal System: trigonal
  • Pointgroup: 3

Thermodynamics:

  • Final energy: -281.27447966
  • Final energy per atom: -7.602012963783784
  • 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.