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  1. Third-Parties
  2. MatprojStructure
  3. mp-1193014

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-1193014
  • 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: 26
  • Number of elements: 4
  • Element list: ['Mo', 'C', 'S', 'N']
  • Chemical System: C-Mo-N-S
  • Density: 2.29651951757222
  • Atomic Density: 0.043387388778934666
  • Unit Cell Volume: 599.2524724747541
  • Molar Volume: 13.879933615465365
  • Full Formula: Mo3 C8 S13 N2
  • Reduced Formula: Mo3C8S13N2
  • Formula Anonymous: A2B3C8D13
  • Spacegroup Number: 1
  • Spacegroup Symbol: P1
  • Crystal System: triclinic
  • Pointgroup: 1

Thermodynamics:

  • Final energy: -164.37481054
  • Final energy per atom: -6.322108097692308
  • 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.