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  1. Third-Parties
  2. MatprojStructure
  3. mp-560060

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-560060
  • Created at: Sept. 4, 2022, 2:47 p.m.
  • Last updated at: Nov. 28, 2021, 1:38 a.m.
  • Input Source: Materials Project

Structure:

  • Number of sites: 124
  • Number of elements: 5
  • Element list: ['Nd', 'Sn', 'P', 'Cl', 'O']
  • Chemical System: Cl-Nd-O-P-Sn
  • Density: 2.0357699845213166
  • Atomic Density: 0.034626326535866406
  • Unit Cell Volume: 3581.090239865877
  • Molar Volume: 17.39179798285038
  • Full Formula: Nd2 Sn4 P20 Cl74 O24
  • Reduced Formula: NdSn2P10Cl37O12
  • Formula Anonymous: AB2C10D12E37
  • Spacegroup Number: 2
  • Spacegroup Symbol: P-1
  • Crystal System: triclinic
  • Pointgroup: -1

Thermodynamics:

  • Final energy: -602.55089758
  • Final energy per atom: -4.859281432096774
  • 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.