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  1. Third-Parties
  2. MatprojStructure
  3. mp-1203749

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-1203749
  • 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: 48
  • Number of elements: 4
  • Element list: ['B', 'Te', 'H', 'C']
  • Chemical System: B-C-H-Te
  • Density: 2.0731929900559165
  • Atomic Density: 0.07539841401236148
  • Unit Cell Volume: 636.6181653652616
  • Molar Volume: 7.987092087922004
  • Full Formula: B20 Te4 H20 C4
  • Reduced Formula: B5TeH5C
  • Formula Anonymous: ABC5D5
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -257.71045525
  • Final energy per atom: -5.3689678177083335
  • 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.