DOI: 10.5061/dryad.gn001
title: Data from: An ab initio electronic transport database for inorganic materials

description: Electronic transport in materials is governed by a series of tensorial
 properties such as conductivity, Seebeck coefficient, and effective mass.
 These quantities are paramount to the understanding of materials in many
 fields from thermoelectrics to electronics and photovoltaics. Transport
 properties can be calculated from a material’s band structure using the
 Boltzmann transport theory framework. We present here the largest
 computational database of electronic transport properties based on a large
 set of 48,000 materials originating from the Materials Project database.
 Our results were obtained through the interpolation approach developed in
 the BoltzTraP software, assuming a constant relaxation time. We present
 the workflow to generate the data, the data validation procedure, and the
 database structure. Our aim is to target the large community of scientists
 developing materials selection strategies and performing studies involving
 transport properties.
description: trasport_data_dataset_1_part_1Dataset 1, part 1: transport data for mp_id from 1 to 570106etransport_data_1.tartransport_data_dataset_1_part_2Dataset 1, Part 2: transport data for mp_id from 570107 to 1006278etransport_data_2.tartransport_data_dataset_2_part_1Dataset 2, Part 1: transport data for mp_id from 1 to 6565etransport_data_2_1.tartransport_data_dataset_2_part_2Dataset 2, Part 2: transport data for mp_id from 6566 to 14048etransport_data_2_2.tartransport_data_dataset_2_part_3Dataset 2, Part 3: transport data for mp_id from 14049 to 18774etransport_data_2_3.tartransport_data_dataset_2_part_4Dataset 2, Part 4: transport data for mp_id from 18775 to 23660etransport_data_2_4.tartransport_data_dataset_2_part_5Dataset 2, Part 5: transport data for mp_id from 23662 to 28155etransport_data_2_5.tartransport_data_dataset_2_part_6Dataset 2, Part 6: transport data for mp_id 28156 from to 30189etransport_data_2_6.tartransport_data_dataset_2_part_7Dataset 2, Part 7: transport data for mp_id from 30192 to 505772etransport_data_2_7.tartransport_data_dataset_2_part_8Dataset 2, Part 8: transport data for mp_id from 505774 to 542734etransport_data_2_8.tartransport_data_dataset_2_part_9Dataset 2, Part 9: transport data for mp_id from 542737 to 555975etransport_data_2_9.tartransport_data_dataset_2_part_10Dataset 2, Part 10: transport data for mp_id from 555976 to 558469etransport_data_2_10.tartransport_data_dataset_2_part_11Dataset 2, Part 11: transport data for mp_id from 558475 to 560944etransport_data_2_11.tartransport_data_dataset_2_part_12Dataset 2, Part 12: transport data for mp_id from 560947 to 567053etransport_data_2_12.tartransport_data_dataset_2_part_13Dataset 2, Part 13: transport data for mp_id from 567055 to 570909etransport_data_2_13.tartransport_data_dataset_2_part_14Dataset 2, Part 14: transport data for mp_id from 570910 to 601867etransport_data_2_14.tartransport_data_dataset_2_part_15Dataset 2, Part 15: transport data for mp_id from 601871 to 639724etransport_data_2_15.tartransport_data_dataset_2_part_16Dataset 2, Part 16: transport data for mp_id from 639727 to 667327etransport_data_2_16.tartransport_data_dataset_2_part_17Dataset 2, Part 17: transport data for mp_id from 667335 to 680604etransport_data_2_17.tartransport_data_dataset_2_part_18Dataset 2, Part 18: transport data for mp_id from 680610 to 698491etransport_data_2_18.tartransport_data_dataset_2_part_19Dataset 2, Part 19: transport data for mp_id from 698494 to 720300etransport_data_2_19.tartransport_data_dataset_2_part_20Dataset 2, Part 20: transport data for mp_id from 720312 to 753160etransport_data_2_20.tartransport_data_dataset_2_part_21Dataset 2, Part 21: transport data for mp_id from 753162 to 761565etransport_data_2_21.tartransport_data_dataset_2_part_22Dataset 2, Part 22: transport data for mp_id from 761566 to 764784etransport_data_2_22.tartransport_data_dataset_2_part_23Dataset 2, Part 23: transport data for mp_id from 764785 to 768341etransport_data_2_23.tartransport_data_dataset_2_part_24Dataset 2, Part 24: transport data for mp_id from 768342 to 771645etransport_data_2_24.tartransport_data_dataset_2_part_25Dataset 2, Part 25: transport data for mp_id from 771647 to 775067etransport_data_2_25.tartransport_data_dataset_2_part_26Dataset 2, Part 26: transport data for mp_id from 775068 to 779221etransport_data_2_26.tartransport_data_dataset_2_part_27Dataset 2, Part 27: transport data for mp_id from 779222 to 861898etransport_data_2_27.tartransport_data_dataset_2_part_28Dataset 2, Part 28: transport data for mp_id from 861906 to 1006278etransport_data_2_28.tar