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  1. Third-Parties
  2. MatprojStructure
  3. mp-1192080

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-1192080
  • 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: 21
  • Number of elements: 4
  • Element list: ['Nd', 'Mn', 'Sb', 'S']
  • Chemical System: Mn-Nd-S-Sb
  • Density: 4.735354002733579
  • Atomic Density: 0.04519267526420682
  • Unit Cell Volume: 464.67707161014806
  • Molar Volume: 13.325479681813865
  • Full Formula: Nd2 Mn3 Sb4 S12
  • Reduced Formula: Nd2Mn3(SbS3)4
  • Formula Anonymous: A2B3C4D12
  • Spacegroup Number: 12
  • Spacegroup Symbol: C12/m1
  • Crystal System: monoclinic
  • Pointgroup: 2/m

Thermodynamics:

  • Final energy: -125.18078077
  • Final energy per atom: -5.96098956047619
  • 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.