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  1. Third-Parties
  2. MatprojStructure
  3. mp-1095455

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-1095455
  • Created at: Sept. 4, 2022, 2:40 p.m.
  • Last updated at: Nov. 28, 2021, 1:35 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 11
  • Number of elements: 5
  • Element list: ['Co', 'C', 'S', 'N', 'Cl']
  • Chemical System: C-Cl-Co-N-S
  • Density: 3.0349362319912543
  • Atomic Density: 0.07793796246703545
  • Unit Cell Volume: 141.13789547234504
  • Molar Volume: 7.726838846405713
  • Full Formula: Co1 C1 S1 N6 Cl2
  • Reduced Formula: CoCS(N3Cl)2
  • Formula Anonymous: ABCD2E6
  • Spacegroup Number: 107
  • Spacegroup Symbol: I4mm
  • Crystal System: tetragonal
  • Pointgroup: 4mm

Thermodynamics:

  • Final energy: -59.51835326
  • Final energy per atom: -5.410759387272727
  • 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.