Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1234200

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-1234200
  • Created at: Sept. 4, 2022, 2:42 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 41
  • Number of elements: 5
  • Element list: ['Mg', 'Fe', 'Sb', 'I', 'O']
  • Chemical System: Fe-I-Mg-O-Sb
  • Density: 4.675292429453351
  • Atomic Density: 0.043952557897356526
  • Unit Cell Volume: 932.8239802504395
  • Molar Volume: 13.701456861881967
  • Full Formula: Mg1 Fe6 Sb10 I6 O18
  • Reduced Formula: MgFe6Sb10(IO3)6
  • Formula Anonymous: AB6C6D10E18
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -250.57556076
  • Final energy per atom: -6.111599042926829
  • 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.