Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1233068

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-1233068
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 23
  • Number of elements: 4
  • Element list: ['Sm', 'Mg', 'Mo', 'O']
  • Chemical System: Mg-Mo-O-Sm
  • Density: 6.599342889513813
  • Atomic Density: 0.07410397011321322
  • Unit Cell Volume: 310.37473383492784
  • Molar Volume: 8.126610154354218
  • Full Formula: Sm4 Mg1 Mo4 O14
  • Reduced Formula: Sm4Mg(Mo2O7)2
  • Formula Anonymous: AB4C4D14
  • Spacegroup Number: 8
  • Spacegroup Symbol: C1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -197.46980424
  • Final energy per atom: -8.585643662608696
  • 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.