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  1. Third-Parties
  2. MatprojStructure
  3. mp-865009

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-865009
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:36 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 120
  • Number of elements: 4
  • Element list: ['In', 'C', 'N', 'Cl']
  • Chemical System: C-Cl-In-N
  • Density: 1.5963524708837995
  • Atomic Density: 0.033722474982875596
  • Unit Cell Volume: 3558.457677289003
  • Molar Volume: 17.857944184280857
  • Full Formula: In8 C48 N16 Cl48
  • Reduced Formula: InC6(NCl3)2
  • Formula Anonymous: AB2C6D6
  • Spacegroup Number: 142
  • Spacegroup Symbol: I4_1/acd
  • Crystal System: tetragonal
  • Pointgroup: 4/mmm

Thermodynamics:

  • Final energy: -663.15091084
  • Final energy per atom: -5.5262575903333335
  • 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.