Download Simmate

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

learn more
  1. Third-Parties
  2. MatprojStructure
  3. mp-1198861

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-1198861
  • Created at: Sept. 4, 2022, 2:41 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 53
  • Number of elements: 4
  • Element list: ['Sm', 'Te', 'Mo', 'O']
  • Chemical System: Mo-O-Sm-Te
  • Density: 3.0310481205608166
  • Atomic Density: 0.05664330962567336
  • Unit Cell Volume: 935.6797890209783
  • Molar Volume: 10.631689425983838
  • Full Formula: Sm2 Te1 Mo6 O44
  • Reduced Formula: Sm2Te(Mo3O22)2
  • Formula Anonymous: AB2C6D44
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -341.63189561
  • Final energy per atom: -6.445884822830189
  • 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.