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  1. Third-Parties
  2. MatprojStructure
  3. mp-1219658

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-1219658
  • Created at: Sept. 4, 2022, 2:45 p.m.
  • Last updated at: Nov. 28, 2021, 1:37 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 29
  • Number of elements: 4
  • Element list: ['Rb', 'Nd', 'As', 'S']
  • Chemical System: As-Nd-Rb-S
  • Density: 2.9318320491789023
  • Atomic Density: 0.031207282443508438
  • Unit Cell Volume: 929.2702769776872
  • Molar Volume: 19.297229007047658
  • Full Formula: Rb8 Nd1 As4 S16
  • Reduced Formula: Rb8Nd(AsS4)4
  • Formula Anonymous: AB4C8D16
  • Spacegroup Number: 23
  • Spacegroup Symbol: I222
  • Crystal System: orthorhombic
  • Pointgroup: 222

Thermodynamics:

  • Final energy: -128.50599875999998
  • Final energy per atom: -4.431241336551723
  • 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.