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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-1201000
  • 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: 152
  • Number of elements: 6
  • Element list: ['In', 'H', 'C', 'Se', 'Cl', 'O']
  • Chemical System: C-Cl-H-In-O-Se
  • Density: 2.2646806158315083
  • Atomic Density: 0.07075379236924552
  • Unit Cell Volume: 2148.2947402557843
  • Molar Volume: 8.511403499860508
  • Full Formula: In8 H80 C16 Se8 Cl24 O16
  • Reduced Formula: InH10C2SeCl3O2
  • Formula Anonymous: ABC2D2E3F10
  • Spacegroup Number: 61
  • Spacegroup Symbol: Pbca
  • Crystal System: orthorhombic
  • Pointgroup: mmm

Thermodynamics:

  • Final energy: -716.92275885
  • Final energy per atom: -4.716597097697369
  • 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.