Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233035

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-1233035
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 21
  • Number of elements: 4
  • Element list: ['Sm', 'Tm', 'Mg', 'O']
  • Chemical System: Mg-O-Sm-Tm
  • Density: 8.732254019846515
  • Atomic Density: 0.07394327903907716
  • Unit Cell Volume: 284.0014707611496
  • Molar Volume: 8.144270633193655
  • Full Formula: Sm4 Tm4 Mg1 O12
  • Reduced Formula: Sm4Tm4MgO12
  • Formula Anonymous: AB4C4D12
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -171.28722417
  • Final energy per atom: -8.156534484285714
  • 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.