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  1. Third-Parties
  2. MatprojStructure
  3. mp-1201814

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-1201814
  • Created at: Sept. 4, 2022, 2:46 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 70
  • Number of elements: 4
  • Element list: ['B', 'Te', 'H', 'C']
  • Chemical System: B-C-H-Te
  • Density: 1.5739757642199788
  • Atomic Density: 0.06276880259158457
  • Unit Cell Volume: 1115.203685746029
  • Molar Volume: 9.594162245190558
  • Full Formula: B40 Te4 H18 C8
  • Reduced Formula: B20Te2H9C4
  • Formula Anonymous: A2B4C9D20
  • Spacegroup Number: 7
  • Spacegroup Symbol: P1c1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -380.98799189
  • Final energy per atom: -5.442685598428572
  • 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.