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  1. Third-Parties
  2. MatprojStructure
  3. mp-1213498

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-1213498
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 52
  • Number of elements: 4
  • Element list: ['Cs', 'Sm', 'Nb', 'Br']
  • Chemical System: Br-Cs-Nb-Sm
  • Density: 4.632188657329265
  • Atomic Density: 0.03182517414523251
  • Unit Cell Volume: 1633.9266444450775
  • Molar Volume: 18.922569700697554
  • Full Formula: Cs2 Sm2 Nb12 Br36
  • Reduced Formula: CsSm(NbBr3)6
  • Formula Anonymous: ABC6D18
  • Spacegroup Number: 163
  • Spacegroup Symbol: P-31c
  • Crystal System: trigonal
  • Pointgroup: -31m

Thermodynamics:

  • Final energy: -270.21212136
  • Final energy per atom: -5.19638694923077
  • 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.