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  1. Third-Parties
  2. MatprojStructure
  3. mp-1226071

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-1226071
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:34 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 28
  • Number of elements: 4
  • Element list: ['Cr', 'Cd', 'In', 'S']
  • Chemical System: Cd-Cr-In-S
  • Density: 4.219664335394187
  • Atomic Density: 0.04927824438119577
  • Unit Cell Volume: 568.2020605970412
  • Molar Volume: 12.220688532276542
  • Full Formula: Cr7 Cd3 In2 S16
  • Reduced Formula: Cr7Cd3(InS8)2
  • Formula Anonymous: A2B3C7D16
  • Spacegroup Number: 6
  • Spacegroup Symbol: P1m1
  • Crystal System: monoclinic
  • Pointgroup: m

Thermodynamics:

  • Final energy: -167.66591998
  • Final energy per atom: -5.988068570714286
  • 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.