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  1. Third-Parties
  2. MatprojStructure
  3. mp-1179209

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-1179209
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:39 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 22
  • Number of elements: 5
  • Element list: ['Te', 'C', 'S', 'Br', 'N']
  • Chemical System: Br-C-N-S-Te
  • Density: 2.0417983767543166
  • Atomic Density: 0.03133927117193174
  • Unit Cell Volume: 701.9946277405381
  • Molar Volume: 19.215956640987823
  • Full Formula: Te2 C4 S4 Br4 N8
  • Reduced Formula: TeC2S2(BrN2)2
  • Formula Anonymous: AB2C2D2E4
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -122.1813397
  • Final energy per atom: -5.553697259090909
  • 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.