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  1. Third-Parties
  2. MatprojStructure
  3. mp-707477

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-707477
  • Created at: Sept. 4, 2022, 2:39 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 200
  • Number of elements: 4
  • Element list: ['As', 'H', 'C', 'I']
  • Chemical System: As-C-H-I
  • Density: 2.610097668105365
  • Atomic Density: 0.06095073924896005
  • Unit Cell Volume: 3281.338380213533
  • Molar Volume: 9.88034080341815
  • Full Formula: As10 H120 C40 I30
  • Reduced Formula: AsH12C4I3
  • Formula Anonymous: AB3C4D12
  • Spacegroup Number: 84
  • Spacegroup Symbol: P4_2/m
  • Crystal System: tetragonal
  • Pointgroup: 4/m

Thermodynamics:

  • Final energy: -912.9007149400002
  • Final energy per atom: -4.564503574700001
  • 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.