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  1. Third-Parties
  2. MatprojStructure
  3. mp-1103989

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-1103989
  • Created at: Sept. 4, 2022, 2:48 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 15
  • Number of elements: 3
  • Element list: ['Nd', 'Mo', 'S']
  • Chemical System: Mo-Nd-S
  • Density: 5.757058767404855
  • Atomic Density: 0.05326159451673382
  • Unit Cell Volume: 281.62881971712795
  • Molar Volume: 11.30672262939472
  • Full Formula: Nd1 Mo6 S8
  • Reduced Formula: Nd(Mo3S4)2
  • Formula Anonymous: AB6C8
  • Spacegroup Number: 148
  • Spacegroup Symbol: R-3H
  • Crystal System: trigonal
  • Pointgroup: -3

Thermodynamics:

  • Final energy: -120.63395171
  • Final energy per atom: -8.042263447333333
  • 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.