# Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity of Clathrates from First Principles"

https://mdr.nims.go.jp/datasets/373263d3-9de1-4fb5-947e-6b7258561a60

## File

- [BGG_PRL2018_data.tar.xz](https://mdr.nims.go.jp/filesets/8e17cba0-23f2-4b30-bc9f-20b9a5c1e645/download) ([Detail](https://mdr.nims.go.jp/filesets/8e17cba0-23f2-4b30-bc9f-20b9a5c1e645.md))
- [README.md](https://mdr.nims.go.jp/filesets/d768bbe5-3f05-4c05-9fe3-52f8190e55ff/download) ([Detail](https://mdr.nims.go.jp/filesets/d768bbe5-3f05-4c05-9fe3-52f8190e55ff.md))

## Id

373263d3-9de1-4fb5-947e-6b7258561a60

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2026-08-14T16:47:36.351018Z

## Updated at

2026-08-18T06:52:26.210971Z

## Published at

2026-08-18T09:28:35.666264Z

## Doi

https://doi.org/10.48505/nims.6468

## First published url

https://journals.aps.org/prl/abstract/10.1103/PhysRevLett.120.105901

## Date published

2018-03-07

## Recorded date published



## Resource type

dataset

## Manuscript type

na

## Collection



## Title

- title: Input and Output Data for "Quartic Anharmonicity of Rattlers and Its Effect
    on Lattice Thermal Conductivity of Clathrates from First Principles"
  title_type: original
  lang: en

## Description

- description: "Input and output data for:\r\n\r\n> T. Tadano and S. Tsuneyuki,\r\n>
    *\"Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity
    of Clathrates\r\n> from First Principles\"*, **Phys. Rev. Lett. 120, 105901 (2018)**
    —\r\n> [doi:10.1103/PhysRevLett.120.105901](https://doi.org/10.1103/PhysRevLett.120.105901)\r\n>
    — preprint [arXiv:1710.00311](https://arxiv.org/abs/1710.00311)"
  description_type: abstract
  lang: en

## Creator

- name: Terumasa Tadano
  role: author
- name: Shinji Tsuneyuki
  role: author

## Contact agent

- name: Terumasa Tadano
  orcid: https://orcid.org/0000-0002-8132-2161
  organization: NIMS

## Publisher

organization: APS

## Managing organization



## Keyword

- subject: Clathrates
  schema: not_defined
- subject: First-principles calculation
  schema: not_defined
- subject: Phonon
  schema: not_defined
- subject: Lattice thermal conductivity
  schema: not_defined

## Rights

- identifier: https://creativecommons.org/licenses/by/4.0/

## Other identifier(s)



## Data origin

- data_origin_type: other

## Embargo



## Journal



## Conference



## Related item

- title: Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity
    of Clathrates from First Principles
  identifier: https://doi.org/10.1103/PhysRevLett.120.105901
  identifier_type: DOI
  relation_type: is_supplemented_by
  related_item_type: journal_article
- title: Quartic Anharmonicity of Rattlers and Its Effect on Lattice Thermal Conductivity
    of Clathrates from First Principles
  identifier: https://arxiv.org/abs/1710.00311
  identifier_type: URI
  relation_type: is_supplement_to
  related_item_type: journal_article

## Funding



## Instrument



## Instrument operator



## Instrument managing organization



## Measurement method



## Specimen



## Chemical composition



## Structure for specimen



## Structural feature for specimen



## Specific property for specimen



## Process for specimen treatment



## Computational method



## Energy level/transition state



## Software



## Custom property



## Fileset

- id: 8e17cba0-23f2-4b30-bc9f-20b9a5c1e645
  filename: BGG_PRL2018_data.tar.xz
  content_type: application/x-xz
  size: 90176780
  md5: ff0a54080f92521283bf9c68c48bc125
- id: d768bbe5-3f05-4c05-9fe3-52f8190e55ff
  filename: README.md
  content_type: text/markdown
  size: 15866
  md5: a6dc512cbb0a204abf2e4a484973aba7

## Thumbnail