action_type stringclasses 13
values | problem_id stringlengths 36 36 | mp_id stringlengths 6 10 | action_prompt stringlengths 39 448 | input stringlengths 1.11k 8.33k | output stringlengths 595 61.6k |
|---|---|---|---|---|---|
SuperCellAction | a6539cab-44df-4e8e-bb7c-91df8be8a5d1 | mp-1026788 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural LaMg14Ga
_chemical_formula_sum "La1 Mg14 Ga1"
_cell_length_a 6.54181914
_cell_length_b 6.54181858
_cell_length_c 10.3752619
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaMg14GaLaMg14GaLaMg14GaLaMg14Ga
_chemical_formula_sum "La4 Mg56 Ga4"
_cell_length_a 6.54181914
_cell_length_b 13.08363716
_cell_length_c 20.7505238
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000281
_space... |
SuperCellAction | 01ba216c-fb8f-4abb-80c4-22dd405386bd | mp-1193800 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Hf18Re8Se2
_chemical_formula_sum "Hf18 Re8 Se2"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 8.616004
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Hf18Re8Se2Hf18Re8Se2
_chemical_formula_sum "Hf36 Re16 Se4"
_cell_length_a 8.65926571
_cell_length_b 8.65926571
_cell_length_c 17.232008
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999779
_space_group_name_H... |
SuperCellAction | 01402a2f-5abb-4aa0-b86e-5791e5de65e6 | mp-1227353 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce4 Ni2 Sn4 Pt2"
_cell_length_a 4.577046
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Ce4Ni2Sn4Pt2Ce4Ni2Sn4Pt2
_chemical_formula_sum "Ce8 Ni4 Sn8 Pt4"
_cell_length_a 9.154092
_cell_length_b 7.381462
_cell_length_c 7.916191
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
SuperCellAction | ce28b798-183a-4161-905a-d01d46d123ba | mp-752785 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Sm4U4O17
_chemical_formula_sum "Sm4 U4 O17"
_cell_length_a 9.36074547
_cell_length_b 9.360745469999998
_cell_length_c 3.835323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.25612350000002
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17Sm4U4O17
_chemical_formula_sum "Sm32 U32 O136"
_cell_length_a 18.72149094
_cell_length_b 9.360745469999998
_cell_length_c 15.341292
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | c5d22a25-6582-4ce3-bd03-856819c233cb | mp-754915 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6Na2Fe2O6Na2Fe2O6Na2Fe2O6Na2Fe2O6Na2Fe2O6
_chemical_formula_sum "Na12 Fe12 O36"
_cell_length_a 15.245919899999999
_cell_length_b 5.081823
_cell_length_c 12.05216022
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.9995939800000... |
SuperCellAction | bb9b0c36-c423-4afe-a85d-e8982235d7b1 | mp-1218036 | Create a supercell with the size 1×4×2. | data_image0
_chemical_formula_structural Ta8VC4S8
_chemical_formula_sum "Ta8 V1 C4 S8"
_cell_length_a 9.39611043
_cell_length_b 9.39611043
_cell_length_c 9.39611066
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.33561769
_cell_angle_gamma 41.33562008000001
_space_group... | data_image0
_chemical_formula_structural Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8Ta8VC4S8
_chemical_formula_sum "Ta64 V8 C32 S64"
_cell_length_a 9.39611043
_cell_length_b 37.58444172
_cell_length_c 18.79222132
_cell_angle_alpha 41.33561769
_cell_angle_beta 41.... |
SuperCellAction | 68ac2473-8b8f-486f-a201-c35aae61adb5 | mp-686085 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Sc13Cu13O33
_chemical_formula_sum "Sc13 Cu13 O33"
_cell_length_a 5.96404422
_cell_length_b 5.96404422
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 87.86782069
_cell_angle_gamma 33.365060500000006
_space... | data_image0
_chemical_formula_structural Sc13Cu13O33Sc13Cu13O33Sc13Cu13O33Sc13Cu13O33Sc13Cu13O33Sc13Cu13O33
_chemical_formula_sum "Sc78 Cu78 O198"
_cell_length_a 17.89213266
_cell_length_b 11.92808844
_cell_length_c 36.25867887
_cell_angle_alpha 87.86782069
_cell_angle_beta 8... |
SuperCellAction | 1bc0c5e8-5f4e-4518-8894-7da32a9e6163 | mp-14734 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Cs4C4O4F12
_chemical_formula_sum "Cs4 C4 O4 F12"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 9.42489971
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4C4O4F12Cs4C4O4F12
_chemical_formula_sum "Cs8 C8 O8 F24"
_cell_length_a 7.69891576
_cell_length_b 5.90645137
_cell_length_c 18.84979942
_cell_angle_alpha 89.27446189
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | 601b9b1e-bd97-4bb9-a6b3-172ea9136756 | mp-755663 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14Ta4Pb4O14
_chemical_formula_sum "Ta16 Pb16 O56"
_cell_length_a 54.53801616
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999... |
SuperCellAction | 76f9821d-f4e1-4d62-8829-66da4fac447b | mp-21683 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural In2Ni21P6
_chemical_formula_sum "In2 Ni21 P6"
_cell_length_a 7.77586642
_cell_length_b 7.77599951
_cell_length_c 7.77597427
_cell_angle_alpha 60.00484206
_cell_angle_beta 60.00602950999999
_cell_angle_gamma 60.00580611000001
_space... | data_image0
_chemical_formula_structural In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6In2Ni21P6
_chemical_formula_sum "In16 Ni168 P48"
_cell_length_a 7.77586642
_cell_length_b 15.55199902
_cell_length_c 31.10389708
_cell_angle_alpha 60.00484206
_cell_angle_beta ... |
SuperCellAction | 809d94a3-7743-404a-90e7-fa30cd632487 | mp-1196179 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Tm16Cr8S32
_chemical_formula_sum "Tm16 Cr8 S32"
_cell_length_a 7.410917
_cell_length_b 12.50779
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32Tm16Cr8S32
_chemical_formula_sum "Tm96 Cr48 S192"
_cell_length_a 22.232751
_cell_length_b 25.01558
_cell_length_c 12.383987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 31a6c1a0-9605-4341-8daa-f4cebf623908 | mp-1221008 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49Nd9Ni24Sn49Nd9Ni24Sn49Nd9Ni24Sn49Nd9Ni24Sn49Nd9Ni24Sn49
_chemical_formula_sum "Nd54 Ni144 Sn294"
_cell_length_a 10.40052865
_cell_length_b 31.20158595
_cell_length_c 34.22564962
_cell_angle_alpha 89.88282626
_cell_angle_beta ... |
SuperCellAction | 418fd3e4-025d-456d-8015-9bc946ee1fc0 | mp-1182799 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Ca4Si4H8O16
_chemical_formula_sum "Ca4 Si4 H8 O16"
_cell_length_a 11.8266484
_cell_length_b 9.86852666
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_cell_angle_gamma 88.41209242000001
... | data_image0
_chemical_formula_structural Ca4Si4H8O16Ca4Si4H8O16Ca4Si4H8O16Ca4Si4H8O16
_chemical_formula_sum "Ca16 Si16 H32 O64"
_cell_length_a 23.6532968
_cell_length_b 19.73705332
_cell_length_c 15.19174507
_cell_angle_alpha 51.09540739000001
_cell_angle_beta 40.49250019
_ce... |
SuperCellAction | 78fbadc1-d7bd-4ca6-b0a2-6b70a37b05d3 | mp-1027815 | Create a supercell with the size 2x1x1. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoKMg14Co
_chemical_formula_sum "K2 Mg28 Co2"
_cell_length_a 12.6669883
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt... |
SuperCellAction | fd2e1024-8ddf-41ba-ad25-63f077edbb93 | mp-8762 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4
_chemical_formula_sum "Er48 S48 O24"
_cell_length_a 13.59477604
_cell_length_b 6.78756073
_cell_length_c 24.550007129999997
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | da1988e3-f2de-4225-81a4-8fdac8ca9193 | mp-1188640 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Zr10Sn6As2
_chemical_formula_sum "Zr10 Sn6 As2"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 5.95940015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Zr10Sn6As2Zr10Sn6As2
_chemical_formula_sum "Zr20 Sn12 As4"
_cell_length_a 8.66441951
_cell_length_b 8.66441951
_cell_length_c 11.9188003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000950999998
_space_group... |
SuperCellAction | 64190e52-d1f3-4a6b-a31b-7ba2301f5efd | mp-887412 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li12Mn2V6P12O48
_chemical_formula_sum "Li12 Mn2 V6 P12 O48"
_cell_length_a 8.7929821
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.87592186
_cell_angle_gamma 60.64011866
_spac... | data_image0
_chemical_formula_structural Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48Li12Mn2V6P12O48
_chemical_formula_sum "Li48 Mn8 V24 P48 O192"
_cell_length_a 35.1719284
_cell_length_b 8.7929821
_cell_length_c 14.49430022
_cell_angle_alpha 73.87592186
_cell_angle_beta 73.... |
SuperCellAction | 6be327c5-1091-4db3-b2e5-346ae6ba18cb | mp-1199467 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Lu20Ge16
_chemical_formula_sum "Lu20 Ge16"
_cell_length_a 7.36423847
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Lu20Ge16Lu20Ge16Lu20Ge16
_chemical_formula_sum "Lu60 Ge48"
_cell_length_a 22.09271541
_cell_length_b 7.46203221
_cell_length_c 14.16995855
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | fadce48a-1e3c-4825-836e-d88ad86520a0 | mp-973966 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural LiInI4O12
_chemical_formula_sum "Li1 In1 I4 O12"
_cell_length_a 4.978049
_cell_length_b 6.59234209
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.19318945
_cell_angle_gamma 89.32749808
_space_grou... | data_image0
_chemical_formula_structural LiInI4O12LiInI4O12LiInI4O12LiInI4O12LiInI4O12LiInI4O12
_chemical_formula_sum "Li6 In6 I24 O72"
_cell_length_a 9.956098
_cell_length_b 19.77702627
_cell_length_c 8.69573854
_cell_angle_alpha 84.86997898999999
_cell_angle_beta 89.1931894... |
SuperCellAction | f46c9952-f9c7-44a4-ba2d-04acb5a15019 | mp-1032871 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural HfMg6AlO8
_chemical_formula_sum "Hf1 Mg6 Al1 O8"
_cell_length_a 8.96578721
_cell_length_b 4.34838229
_cell_length_c 4.34838229
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural HfMg6AlO8HfMg6AlO8HfMg6AlO8HfMg6AlO8
_chemical_formula_sum "Hf4 Mg24 Al4 O32"
_cell_length_a 8.96578721
_cell_length_b 8.69676458
_cell_length_c 8.69676458
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | ef7b66fb-8580-45d2-90c1-186e87c9dfa5 | mp-2215839 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6Sr2MgZrCrO6
_chemical_formula_sum "Sr8 Mg4 Zr4 Cr4 O24"
_cell_length_a 13.70105172
_cell_length_b 11.34633388
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
... |
SuperCellAction | b9adf098-4c3c-48ae-880c-0390b09d4041 | mp-763659 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Li3V2Fe2O8
_chemical_formula_sum "Li3 V2 Fe2 O8"
_cell_length_a 5.944184
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60.51743515999999
_spac... | data_image0
_chemical_formula_structural Li3V2Fe2O8Li3V2Fe2O8Li3V2Fe2O8
_chemical_formula_sum "Li9 V6 Fe6 O24"
_cell_length_a 17.832552
_cell_length_b 5.94678724
_cell_length_c 5.96933376
_cell_angle_alpha 60.42632462
_cell_angle_beta 60.49654353999999
_cell_angle_gamma 60... |
SuperCellAction | e7aedea0-3e8b-4484-af72-9662d3960a6b | mp-1227077 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Cd43Pd8
_chemical_formula_sum "Cd43 Pd8"
_cell_length_a 10.05017333
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_gamma 90.10168413000... | data_image0
_chemical_formula_structural Cd43Pd8Cd43Pd8Cd43Pd8Cd43Pd8
_chemical_formula_sum "Cd172 Pd32"
_cell_length_a 40.20069332
_cell_length_b 10.050173330000002
_cell_length_c 10.05017369
_cell_angle_alpha 90.10168299999998
_cell_angle_beta 90.10168299999998
_cell_angle_... |
SuperCellAction | 66658c95-19ab-4355-99e0-a1489a97da21 | mp-1229311 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48
_chemical_formula_sum "Ag5 Sb23 Pb12 S48"
_cell_length_a 8.695419
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236377
_cell_angle_gamma 90.18961982
_space_... | data_image0
_chemical_formula_structural Ag5Sb23Pb12S48Ag5Sb23Pb12S48Ag5Sb23Pb12S48Ag5Sb23Pb12S48
_chemical_formula_sum "Ag20 Sb92 Pb48 S192"
_cell_length_a 34.781676
_cell_length_b 13.29602981
_cell_length_c 19.62485344
_cell_angle_alpha 90.29708353
_cell_angle_beta 90.02236... |
SuperCellAction | a03bda68-a272-47d5-9e65-def62345ddfe | mp-1173734 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24
_chemical_formula_sum "Na1 Ca3 Fe4 Si8 O24"
_cell_length_a 7.70031409
_cell_length_b 7.700314089999999
_cell_length_c 9.98506993
_cell_angle_alpha 62.79150036
_cell_angle_beta 62.79150036
_cell_angle_gamma 72.03905514... | data_image0
_chemical_formula_structural NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24NaCa3Fe4Si8O24
_chemical_formula_sum "Na8 Ca24 Fe32 Si64 O192"
_cell_length_a 7.70031409
_cell_length_b 15.400628179999998
_cell_length_c 39.940... |
SuperCellAction | 26443bd9-915d-4884-b66c-4c2a32c49b15 | mp-1182238 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16Ba8O16
_chemical_formula_sum "Ba64 O128"
_cell_length_a 23.301024
_cell_length_b 15.367208
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 9... |
SuperCellAction | b2dfae15-3cab-4104-8027-9007017052e6 | mp-15539 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca4 Mn8 Be12 Si12 O48"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 16.38163346
_cell_angle_alpha 60.03639652
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Ca4Mn8Be12Si12O48Ca4Mn8Be12Si12O48Ca4Mn8Be12Si12O48
_chemical_formula_sum "Ca12 Mn24 Be36 Si36 O144"
_cell_length_a 7.691233
_cell_length_b 8.175307
_cell_length_c 49.14490038
_cell_angle_alpha 60.03639652000001
_cell_angle_beta 90.0
_... |
SuperCellAction | b01dcd15-a32a-4b96-9ed1-afdc7de9dcd3 | mp-5996 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Na8Ti8Si8O36
_chemical_formula_sum "Na8 Ti8 Si8 O36"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 14.734708
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36Na8Ti8Si8O36
_chemical_formula_sum "Na32 Ti32 Si32 O144"
_cell_length_a 5.287007
_cell_length_b 8.797689
_cell_length_c 58.938832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 1e7d2961-02a9-468f-afdc-3eab4e90b6dc | mp-510 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ta16O32
_chemical_formula_sum "Ta16 O32"
_cell_length_a 10.22760131
_cell_length_b 10.22760131
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle_gamma 145.74738884999996
_space_group_... | data_image0
_chemical_formula_structural Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32Ta16O32
_chemical_formula_sum "Ta96 O192"
_cell_length_a 20.45520262
_cell_length_b 30.682803930000002
_cell_length_c 10.22760131
_cell_angle_alpha 94.97482101
_cell_angle_beta 94.97482101
_cell_angle... |
SuperCellAction | 3eb8d63c-f30c-4811-9e8c-79779404733b | mp-1200475 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural U2B16O34
_chemical_formula_sum "U2 B16 O34"
_cell_length_a 8.97706869
_cell_length_b 8.97706869
_cell_length_c 11.125183349999999
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angle_gamma 136.85945971
_space_grou... | data_image0
_chemical_formula_structural U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34U2B16O34
_chemical_formula_sum "U12 B96 O204"
_cell_length_a 17.95413738
_cell_length_b 8.97706869
_cell_length_c 33.37555005
_cell_angle_alpha 89.98961474
_cell_angle_beta 89.98961474
_cell_angl... |
SuperCellAction | eb8b22d9-32d4-49df-986a-f9f83b4cffb0 | mp-1103787 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Si7Ni4Au2
_chemical_formula_sum "Si7 Ni4 Au2"
_cell_length_a 6.65277734
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 32.802062200... | data_image0
_chemical_formula_structural Si7Ni4Au2Si7Ni4Au2
_chemical_formula_sum "Si14 Ni8 Au4"
_cell_length_a 13.30555468
_cell_length_b 6.65277734
_cell_length_c 7.943236350000001
_cell_angle_alpha 70.83827778000001
_cell_angle_beta 70.83827778000001
_cell_angle_gamma 3... |
SuperCellAction | 2e8f353b-eaf6-4571-97cf-1f90a0659b86 | mp-1110608 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF6Rb2InAgF6Rb2InAgF6Rb2InAgF6Rb2InAgF6Rb2InAgF6Rb2InAgF6Rb2InAgF6
_chemical_formula_sum "Rb16 In8 Ag8 F48"
_cell_length_a 12.8792712
_cell_length_b 25.7585424
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_... |
SuperCellAction | eaa3546f-1619-4162-8e48-6178d024de35 | mp-1026829 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural KMg14Cd
_chemical_formula_sum "K1 Mg14 Cd1"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 10.5695114
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural KMg14CdKMg14CdKMg14CdKMg14Cd
_chemical_formula_sum "K4 Mg56 Cd4"
_cell_length_a 6.52194849
_cell_length_b 6.51423648
_cell_length_c 42.2780456
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96089757
_space_group... |
SuperCellAction | b5666720-bad3-4780-8807-4cbff2329fc4 | mp-21787 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural O36Eu16Au8
_chemical_formula_sum "O36 Eu16 Au8"
_cell_length_a 6.18138765
_cell_length_b 11.94098349
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural O36Eu16Au8O36Eu16Au8O36Eu16Au8
_chemical_formula_sum "O108 Eu48 Au24"
_cell_length_a 6.18138765
_cell_length_b 35.82295047
_cell_length_c 11.99598676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 78a09361-5ceb-49f9-965c-bc3b9f6a4832 | mp-1233843 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural MgCo6O2F10
_chemical_formula_sum "Mg1 Co6 O2 F10"
_cell_length_a 5.20676922
_cell_length_b 5.20369253
_cell_length_c 9.241906809999998
_cell_angle_alpha 89.57896289
_cell_angle_beta 90.10114559
_cell_angle_gamma 99.40809487
_space_... | data_image0
_chemical_formula_structural MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10MgCo6O2F10
_chemical_formula_sum "Mg8 Co48 O16 F80"
_cell_length_a 10.41353844
_cell_length_b 10.40738506
_cell_length_c 18.483813619999996
_cell_angle_alpha 89.57896289... |
SuperCellAction | 3008466d-5f2c-4336-a96b-c8276a988d4a | mp-1192109 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural K2H4PdN4O10
_chemical_formula_sum "K2 H4 Pd1 N4 O10"
_cell_length_a 6.96838542
_cell_length_b 7.225418650000001
_cell_length_c 7.49708956
_cell_angle_alpha 116.74948873
_cell_angle_beta 104.81718331
_cell_angle_gamma 97.848627799999... | data_image0
_chemical_formula_structural K2H4PdN4O10K2H4PdN4O10K2H4PdN4O10K2H4PdN4O10K2H4PdN4O10K2H4PdN4O10
_chemical_formula_sum "K12 H24 Pd6 N24 O60"
_cell_length_a 6.96838542
_cell_length_b 21.67625595
_cell_length_c 14.99417912
_cell_angle_alpha 116.74948873
_cell_angle_beta ... |
SuperCellAction | 62e2eda1-880a-45cc-8ea7-30a021496ce9 | mp-18245 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Na4Co4P4O16
_chemical_formula_sum "Na4 Co4 P4 O16"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 8.975021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Na4Co4P4O16Na4Co4P4O16Na4Co4P4O16
_chemical_formula_sum "Na12 Co12 P12 O48"
_cell_length_a 5.079759
_cell_length_b 6.870334
_cell_length_c 26.925063
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 15b9a0df-de00-43e9-b35d-dae6c9b5e0d9 | mp-1191086 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7
_chemical_formula_sum "Nd2 Mn3 Cu9 P7"
_cell_length_a 9.52202874
_cell_length_b 9.522028740000001
_cell_length_c 3.826614
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000515
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7Nd2Mn3Cu9P7
_chemical_formula_sum "Nd16 Mn24 Cu72 P56"
_cell_length_a 9.52202874
_cell_length_b 19.044057480000003
_cell_length_c 15.306456
_cell_angle_alpha 90.0... |
SuperCellAction | a8bfcf4f-2783-41e7-9329-addceebfee73 | mp-758497 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Li4Cu4P4O16
_chemical_formula_sum "Li4 Cu4 P4 O16"
_cell_length_a 5.773734
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78.10091352
_space_group_na... | data_image0
_chemical_formula_structural Li4Cu4P4O16Li4Cu4P4O16Li4Cu4P4O16
_chemical_formula_sum "Li12 Cu12 P12 O48"
_cell_length_a 17.321202
_cell_length_b 6.11628915
_cell_length_c 9.23422936
_cell_angle_alpha 76.39650355
_cell_angle_beta 79.36723015
_cell_angle_gamma 78... |
SuperCellAction | f19397e8-4eab-45c8-a0d7-ae0348001d6c | mp-1102486 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Sm2P2O8
_chemical_formula_sum "Sm2 P2 O8"
_cell_length_a 5.83727174
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma 116.51870327
_space_... | data_image0
_chemical_formula_structural Sm2P2O8Sm2P2O8Sm2P2O8
_chemical_formula_sum "Sm6 P6 O24"
_cell_length_a 17.511815220000003
_cell_length_b 5.83727174
_cell_length_c 5.83727174
_cell_angle_alpha 106.06663024999999
_cell_angle_beta 106.06663024999999
_cell_angle_gamma ... |
SuperCellAction | 72595734-6729-4546-8e7f-001018cd4ced | mp-676501 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural K6Sn4S6Br2O24
_chemical_formula_sum "K6 Sn4 S6 Br2 O24"
_cell_length_a 7.606706
_cell_length_b 10.424619
_cell_length_c 10.46138684
_cell_angle_alpha 60.722412909999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24K6Sn4S6Br2O24
_chemical_formula_sum "K48 Sn32 S48 Br16 O192"
_cell_length_a 7.606706
_cell_length_b 41.698476
_cell_length_c 20.92277368
_cell_angle_al... |
SuperCellAction | f08f3540-e4f2-40cd-922f-ed379605f28e | mp-850998 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li4Mn6B6O18
_chemical_formula_sum "Li4 Mn6 B6 O18"
_cell_length_a 5.299488
_cell_length_b 5.84207002
_cell_length_c 13.32200713
_cell_angle_alpha 96.96851358
_cell_angle_beta 91.03624852000002
_cell_angle_gamma 113.55685340999999
_... | data_image0
_chemical_formula_structural Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18Li4Mn6B6O18
_chemical_formula_sum "Li32 Mn48 B48 O144"
_cell_length_a 10.598976
_cell_length_b 11.68414004
_cell_length_c 26.64401426
_cell_angle_alpha 96.9685135... |
SuperCellAction | ede95f6d-d0f5-4431-bc6f-8c40e7ad12c0 | mp-531661 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39
_chemical_formula_sum "Nd80 Ti96 O312"
_cell_length_a 14.546018
_cell_length_b 41.165074
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_ce... |
SuperCellAction | 3aadecfd-9cd5-472f-900c-7e5bda0e07c8 | mp-777349 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mn6O6F6
_chemical_formula_sum "Mn6 O6 F6"
_cell_length_a 4.670662
_cell_length_b 5.695413829999999
_cell_length_c 7.77939247
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.01678689999999
_cell_angle_gamma 87.13600728
_space_grou... | data_image0
_chemical_formula_structural Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6Mn6O6F6
_chemical_formula_sum "Mn36 O36 F36"
_cell_length_a 4.670662
_cell_length_b 11.390827659999998
_cell_length_c 23.338177409999997
_cell_angle_alpha 85.41131093
_cell_angle_beta 88.0167868999999... |
SuperCellAction | 0f72c58a-94f6-4fe4-a4e8-6234d3693cf3 | mp-25275 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Mn4O8
_chemical_formula_sum "Mn4 O8"
_cell_length_a 5.68527742
_cell_length_b 5.68458916
_cell_length_c 5.68551593
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.00680398
_space_group_name_H-... | data_image0
_chemical_formula_structural Mn4O8Mn4O8Mn4O8Mn4O8Mn4O8Mn4O8
_chemical_formula_sum "Mn24 O48"
_cell_length_a 5.68527742
_cell_length_b 11.36917832
_cell_length_c 17.05654779
_cell_angle_alpha 60.002615719999994
_cell_angle_beta 59.99061243
_cell_angle_gamma 60.0... |
SuperCellAction | 63d6852f-e1a1-4070-9a93-00ad1518698b | mp-38347 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ca2Pr16Se24
_chemical_formula_sum "Ca2 Pr16 Se24"
_cell_length_a 9.01322339
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma 90.0395558
_space_g... | data_image0
_chemical_formula_structural Ca2Pr16Se24Ca2Pr16Se24Ca2Pr16Se24
_chemical_formula_sum "Ca6 Pr48 Se72"
_cell_length_a 27.03967017
_cell_length_b 9.013223390000002
_cell_length_c 14.9179562
_cell_angle_alpha 72.45496723
_cell_angle_beta 72.45496723
_cell_angle_gamma ... |
SuperCellAction | bc090199-e9c5-4ecd-9691-d10a0061125d | mp-1027965 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14GaYMg14Ga
_chemical_formula_sum "Y8 Mg112 Ga8"
_cell_length_a 12.9566342
_cell_length_b 6.2636730499999995
_cell_length_c 41.51237376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | a6ef0f0c-e3fd-4062-a09b-c979c99df0c3 | mp-1045861 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ca2Mn9O13
_chemical_formula_sum "Ca2 Mn9 O13"
_cell_length_a 5.43810899
_cell_length_b 5.43810899
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 33.81424450000001
_space_grou... | data_image0
_chemical_formula_structural Ca2Mn9O13Ca2Mn9O13Ca2Mn9O13Ca2Mn9O13
_chemical_formula_sum "Ca8 Mn36 O52"
_cell_length_a 5.43810899
_cell_length_b 21.75243596
_cell_length_c 17.17977876
_cell_angle_alpha 81.35035052
_cell_angle_beta 81.35035052
_cell_angle_gamma 3... |
SuperCellAction | 2658fbbd-08b4-4b0f-88be-c4010836c6f8 | mp-1175749 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.941684
_cell_length_b 6.452902369999999
_cell_length_c 8.58674106
_cell_angle_alpha 82.81201373999998
_cell_angle_beta 109.37247198
_cell_angle_gamma 114.16547318... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 23.766736
_cell_length_b 6.452902369999999
_cell_length_c 17.17348212
_cell_angle_alph... |
SuperCellAction | 32d4b51a-ecb8-4351-894f-cfeef6f13de0 | mp-1229052 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Al41V4
_chemical_formula_sum "Al41 V4"
_cell_length_a 10.13341311
_cell_length_b 10.133404340000002
_cell_length_c 10.13343431
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60.00008363
_space_gr... | data_image0
_chemical_formula_structural Al41V4Al41V4Al41V4Al41V4
_chemical_formula_sum "Al164 V16"
_cell_length_a 10.13341311
_cell_length_b 20.266808680000004
_cell_length_c 20.26686862
_cell_angle_alpha 60.00027868000001
_cell_angle_beta 60.00000942
_cell_angle_gamma 60... |
SuperCellAction | cfca4a64-1696-41cd-ab5e-073d7ab34824 | mp-1174080 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li4MnCo3O8
_chemical_formula_sum "Li4 Mn1 Co3 O8"
_cell_length_a 9.86198462
_cell_length_b 9.86198462
_cell_length_c 5.10375864
_cell_angle_alpha 83.85536122000002
_cell_angle_beta 83.85536122000002
_cell_angle_gamma 16.960982359999... | data_image0
_chemical_formula_structural Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8Li4MnCo3O8
_chemical_formula_sum "Li32 Mn8 Co24 O64"
_cell_length_a 39.44793848
_cell_length_b 9.86198462
_cell_length_c 10.20751728
_cell_angle_alpha 83.85536122000002
... |
SuperCellAction | 9e417ed4-13c5-4410-b04b-bb5b692b2421 | mp-1030101 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Te4MoW3Se4
_chemical_formula_sum "Te4 Mo1 W3 Se4"
_cell_length_a 3.43778909
_cell_length_b 3.43778909
_cell_length_c 39.166563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00002099000001
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4Te4MoW3Se4
_chemical_formula_sum "Te24 Mo6 W18 Se24"
_cell_length_a 3.43778909
_cell_length_b 10.313367269999999
_cell_length_c 78.333126
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 6ab4143b-4a8e-41ca-9127-f325fa22b248 | mp-1194859 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Al4V4Te8O32
_chemical_formula_sum "Al4 V4 Te8 O32"
_cell_length_a 8.104843
_cell_length_b 4.919119
_cell_length_c 17.93012588
_cell_angle_alpha 90.0
_cell_angle_beta 112.6719878
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32Al4V4Te8O32
_chemical_formula_sum "Al32 V32 Te64 O256"
_cell_length_a 16.209686
_cell_length_b 4.919119
_cell_length_c 71.72050352
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 8e2b881e-86e4-43d5-9cfe-3d0528505131 | mp-18561 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10Ga4As2Rh10
_chemical_formula_sum "Ga32 As16 Rh80"
_cell_length_a 4.01954392
_cell_length_b 10.92321512
_cell_length_c 40.7846686
_cell_angle_alpha 89.98949256000002
_cel... |
SuperCellAction | 9abd67d7-60cb-4718-a130-d621600eefc2 | mp-1208667 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10
_chemical_formula_sum "Sr8 C16 O40"
_cell_length_a 6.4825783
_cell_length_b 12.965156600000002
_cell_length_c 13.10595986
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma ... |
SuperCellAction | 01aa80d3-bcb4-4e65-b621-f7f9392254b6 | mp-774827 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li4V2CrTeO12
_chemical_formula_sum "Li4 V2 Cr1 Te1 O12"
_cell_length_a 5.06248
_cell_length_b 5.32188995
_cell_length_c 7.32971655
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_cell_angle_gamma 89.92189222000002
... | data_image0
_chemical_formula_structural Li4V2CrTeO12Li4V2CrTeO12Li4V2CrTeO12Li4V2CrTeO12
_chemical_formula_sum "Li16 V8 Cr4 Te4 O48"
_cell_length_a 10.12496
_cell_length_b 5.32188995
_cell_length_c 14.6594331
_cell_angle_alpha 86.10822233999998
_cell_angle_beta 89.72000477
_... |
SuperCellAction | 1f6df554-78e0-479f-b498-18c56acc445a | mp-757418 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural KTi16O32
_chemical_formula_sum "K1 Ti16 O32"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 10.41363399
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95426343999999
_space_grou... | data_image0
_chemical_formula_structural KTi16O32KTi16O32KTi16O32KTi16O32
_chemical_formula_sum "K4 Ti64 O128"
_cell_length_a 8.536617
_cell_length_b 8.53623361
_cell_length_c 41.65453596
_cell_angle_alpha 102.64098898
_cell_angle_beta 112.04457826
_cell_angle_gamma 105.95... |
SuperCellAction | 6c089dea-3d8e-491b-bb27-69e09cc90098 | mp-1213886 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Ce8Tl8F40
_chemical_formula_sum "Ce8 Tl8 F40"
_cell_length_a 8.27363409
_cell_length_b 8.15768151
_cell_length_c 13.54061819
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 102.96680331999998
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40Ce8Tl8F40
_chemical_formula_sum "Ce48 Tl48 F240"
_cell_length_a 8.27363409
_cell_length_b 16.31536302
_cell_length_c 40.621854569999996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 5bfb0f7e-1782-4198-b177-3553ae138c73 | mp-1027998 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Mg14ZnCu
_chemical_formula_sum "Mg14 Zn1 Cu1"
_cell_length_a 6.24905681
_cell_length_b 6.24905632
_cell_length_c 9.97630643
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000255999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg14ZnCuMg14ZnCuMg14ZnCuMg14ZnCuMg14ZnCuMg14ZnCuMg14ZnCuMg14ZnCu
_chemical_formula_sum "Mg112 Zn8 Cu8"
_cell_length_a 12.49811362
_cell_length_b 12.49811264
_cell_length_c 19.95261286
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 5a70ca6a-0fd5-46eb-a4d6-045b9b55304c | mp-1209256 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Sr2GdTaCu2O8
_chemical_formula_sum "Sr2 Gd1 Ta1 Cu2 O8"
_cell_length_a 3.935051
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sr2GdTaCu2O8Sr2GdTaCu2O8Sr2GdTaCu2O8
_chemical_formula_sum "Sr6 Gd3 Ta3 Cu6 O24"
_cell_length_a 11.805153
_cell_length_b 3.935051
_cell_length_c 11.73933
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 2a51f71f-3104-45ee-9365-419af36322c0 | mp-1023289 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural Mg12Al2W2
_chemical_formula_sum "Mg12 Al2 W2"
_cell_length_a 4.961791
_cell_length_b 5.848886
_cell_length_c 10.827339
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2Mg12Al2W2
_chemical_formula_sum "Mg72 Al12 W12"
_cell_length_a 4.961791
_cell_length_b 17.546658
_cell_length_c 21.654678
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 4c36bfe3-9ac6-47c4-9279-87d339bdc7e8 | mp-1029743 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32Ba16Ge16N32
_chemical_formula_sum "Ba128 Ge128 N256"
_cell_length_a 5.593084
_cell_length_b 44.893696
_cell_length_c 33.325596
_cell_angle_alpha 90.0
_cell_angle_... |
SuperCellAction | 87749a27-6fdc-4f59-99bf-68641da95bf9 | mp-796259 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural Fe4O8
_chemical_formula_sum "Fe4 O8"
_cell_length_a 3.036458
_cell_length_b 4.652907
_cell_length_c 9.475864
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_num... | data_image0
_chemical_formula_structural Fe4O8Fe4O8Fe4O8Fe4O8
_chemical_formula_sum "Fe16 O32"
_cell_length_a 3.036458
_cell_length_b 9.305814
_cell_length_c 18.951728
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 54d389a8-d2d5-4e91-9dc6-d3c4a6a5e794 | mp-2747986 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Cs2U4O12
_chemical_formula_sum "Cs2 U4 O12"
_cell_length_a 7.91228418
_cell_length_b 7.91201927
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_cell_angle_gamma 60.41923994999999
_space_group_n... | data_image0
_chemical_formula_structural Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12Cs2U4O12
_chemical_formula_sum "Cs12 U24 O72"
_cell_length_a 15.82456836
_cell_length_b 23.736057810000002
_cell_length_c 7.86210432
_cell_angle_alpha 60.17598872
_cell_angle_beta 60.17802232
_ce... |
SuperCellAction | ee97c55a-e236-4d5d-98ab-9ce7b3a84d6f | mp-779526 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Fe10O14F6
_chemical_formula_sum "Fe10 O14 F6"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_angle_gamma 91.42331972
_sp... | data_image0
_chemical_formula_structural Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6
_chemical_formula_sum "Fe40 O56 F24"
_cell_length_a 4.66250841
_cell_length_b 4.662508409999999
_cell_length_c 61.052345759999994
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.97313512
_cell_ang... |
SuperCellAction | c505c0fe-95e7-4bfe-bc34-115ecc8805ad | mp-35143 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Ba2Nb2S6
_chemical_formula_sum "Ba2 Nb2 S6"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 5.73582701
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Nb2S6Ba2Nb2S6
_chemical_formula_sum "Ba4 Nb4 S12"
_cell_length_a 6.95265609
_cell_length_b 6.95265518
_cell_length_c 11.47165402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998911000002
_space_group_name... |
SuperCellAction | a36d492d-dccb-4236-b0ba-633ca362efd2 | mp-758815 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Li8Mn4P16O48
_chemical_formula_sum "Li8 Mn4 P16 O48"
_cell_length_a 11.142329
_cell_length_b 7.490572
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Mn4P16O48Li8Mn4P16O48Li8Mn4P16O48Li8Mn4P16O48
_chemical_formula_sum "Li32 Mn16 P64 O192"
_cell_length_a 11.142329
_cell_length_b 29.962288
_cell_length_c 13.21386225
_cell_angle_alpha 74.52130082
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | d2cb7349-0c28-4ab0-88f8-b20ff9d5391c | mp-1178619 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32Zr2Cl8O32
_chemical_formula_sum "Zr8 Cl32 O128"
_cell_length_a 8.27100313
_cell_length_b 16.54200626
_cell_length_c 27.75210104
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma ... |
SuperCellAction | 6f3d14f8-1ffc-466c-9919-0cf2a8136d9d | mp-780315 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Li4Cr2Fe3O10
_chemical_formula_sum "Li4 Cr2 Fe3 O10"
_cell_length_a 5.114969
_cell_length_b 5.13503036
_cell_length_c 7.829969649999999
_cell_angle_alpha 72.33638857
_cell_angle_beta 72.04430987
_cell_angle_gamma 80.09595811
_space... | data_image0
_chemical_formula_structural Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10Li4Cr2Fe3O10
_chemical_formula_sum "Li24 Cr12 Fe18 O60"
_cell_length_a 10.229938
_cell_length_b 5.13503036
_cell_length_c 23.489908949999997
_cell_angle_alpha 72.33638857
_cell_an... |
SuperCellAction | 0b8be26b-9fe6-4f8f-87b7-c6d24e7a4168 | mp-780431 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Li8Fe8P8H16O40
_chemical_formula_sum "Li8 Fe8 P8 H16 O40"
_cell_length_a 5.156879
_cell_length_b 10.022673
_cell_length_c 16.99323
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40Li8Fe8P8H16O40
_chemical_formula_sum "Li64 Fe64 P64 H128 O320"
_cell_length_a 10.313758
_cell_length_b 40.090692
_cell_length_c 16.99323
_cell_a... |
SuperCellAction | 44192e45-cb16-4907-9a83-528bfa2b07e2 | mp-850188 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.41882944
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li2V2O2F8Li2V2O2F8
_chemical_formula_sum "Li4 V4 O4 F16"
_cell_length_a 10.83765888
_cell_length_b 5.41882944
_cell_length_c 10.245645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 140.95590219
_space_group_name_H-... |
SuperCellAction | cc4c05f1-6b06-4efd-a18d-c08e2c19b682 | mp-699403 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba2 La6 Ti2 Cr6 O24"
_cell_length_a 11.177216
_cell_length_b 5.600776
_cell_length_c 7.92704114
_cell_angle_alpha 89.40242338000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba2La6Ti2Cr6O24Ba2La6Ti2Cr6O24Ba2La6Ti2Cr6O24Ba2La6Ti2Cr6O24Ba2La6Ti2Cr6O24Ba2La6Ti2Cr6O24
_chemical_formula_sum "Ba12 La36 Ti12 Cr36 O144"
_cell_length_a 22.354432
_cell_length_b 5.600776
_cell_length_c 23.78112342
_cell_angle_alpha 89.40... |
SuperCellAction | 76e3513b-82eb-4270-8a05-08434e1f41f0 | mp-559738 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40Sb8S8N8Cl40Sb8S8N8Cl40Sb8S8N8Cl40
_chemical_formula_sum "Sb32 S32 N32 Cl160"
_cell_length_a 13.73769578
_cell_length_b 27.47539156
_cell_length_c 27.47539156
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell... |
SuperCellAction | 0f67d62f-03e8-4557-b8b2-2879c5a6a81b | mp-1198626 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural K12Co4C24O56
_chemical_formula_sum "K12 Co4 C24 O56"
_cell_length_a 13.20634269
_cell_length_b 13.20634269
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_beta 65.56575789
_cell_angle_gamma 51.40480058000001
_s... | data_image0
_chemical_formula_structural K12Co4C24O56K12Co4C24O56K12Co4C24O56K12Co4C24O56K12Co4C24O56K12Co4C24O56
_chemical_formula_sum "K72 Co24 C144 O336"
_cell_length_a 39.61902807
_cell_length_b 26.41268538
_cell_length_c 12.71587269
_cell_angle_alpha 65.56575789
_cell_angle_... |
SuperCellAction | dbf655d2-d2e4-4688-897f-b1ad412be20e | mp-1235973 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural LiY4Ag4O12
_chemical_formula_sum "Li1 Y4 Ag4 O12"
_cell_length_a 6.17700983
_cell_length_b 7.209114630000001
_cell_length_c 6.964862
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 72.68391668
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12LiY4Ag4O12
_chemical_formula_sum "Li6 Y24 Ag24 O72"
_cell_length_a 18.53102949
_cell_length_b 7.209114630000001
_cell_length_c 13.929724
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 0b9d55a7-ee7e-4e9c-bb96-afc90dc531db | mp-765943 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Li12V8O16F8
_chemical_formula_sum "Li12 V8 O16 F8"
_cell_length_a 5.28340534
_cell_length_b 14.97931066
_cell_length_c 5.89211982
_cell_angle_alpha 100.62400067999998
_cell_angle_beta 91.38468044
_cell_angle_gamma 87.02975482
_spac... | data_image0
_chemical_formula_structural Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8Li12V8O16F8
_chemical_formula_sum "Li72 V48 O96 F48"
_cell_length_a 5.28340534
_cell_length_b 29.95862132
_cell_length_c 17.67635946
_cell_angle_alpha 100.62400067999998
_cell_angle_be... |
SuperCellAction | 4789b366-8650-420b-92ac-0b92a0f6650a | mp-25954 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24Co6P6O24
_chemical_formula_sum "Co48 P48 O192"
_cell_length_a 29.76579196
_cell_length_b 14.882895980000002
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 58314042-16d4-4394-aa1c-19b5754d7ec9 | mp-16136 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14
_chemical_formula_sum "Sr3 Ta1 Ga3 Si2 O14"
_cell_length_a 8.41219425
_cell_length_b 8.41219425
_cell_length_c 5.129503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000200999999
_space_group_n... | data_image0
_chemical_formula_structural Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14Sr3TaGa3Si2O14
_chemical_formula_sum "Sr12 Ta4 Ga12 Si8 O56"
_cell_length_a 8.41219425
_cell_length_b 16.8243885
_cell_length_c 10.259006
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 804d092c-01d4-46fa-bd1f-d47582368edf | mp-755023 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Mg2Mn3O8
_chemical_formula_sum "Mg2 Mn3 O8"
_cell_length_a 5.82429502
_cell_length_b 5.82429502
_cell_length_c 4.80445645
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_angle_gamma 121.61605819
_space_group_name_... | data_image0
_chemical_formula_structural Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8Mg2Mn3O8
_chemical_formula_sum "Mg12 Mn18 O48"
_cell_length_a 5.82429502
_cell_length_b 11.64859004
_cell_length_c 14.41336935
_cell_angle_alpha 72.93029128
_cell_angle_beta 107.06970872
_cell_an... |
SuperCellAction | e0fec157-6aa1-4379-a4e5-e36fc6d87f2d | mp-1217240 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural U6P8S32
_chemical_formula_sum "U6 P8 S32"
_cell_length_a 12.18009283
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.02917861
_space_group_name... | data_image0
_chemical_formula_structural U6P8S32U6P8S32U6P8S32U6P8S32
_chemical_formula_sum "U24 P32 S128"
_cell_length_a 48.72037132
_cell_length_b 12.18009283
_cell_length_c 12.18009283
_cell_angle_alpha 126.52364913
_cell_angle_beta 126.52364913
_cell_angle_gamma 79.029... |
SuperCellAction | dd8171d4-f414-48f0-85e5-08210e38185c | mp-867658 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42La14Mn13O42
_chemical_formula_sum "La112 Mn104 O336"
_cell_length_a 38.72343916
_cell_length_b 9.680859790000001
_cell_length_c 19.361719080000004
_cell_angle_alpha ... |
SuperCellAction | 7bbed50b-7c2c-49ad-bebb-8e610ea6bd67 | mp-1076079 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr5 Ca3 Mn1 Fe7 O24"
_cell_length_a 7.7761693
_cell_length_b 7.776169299999999
_cell_length_c 7.77140523
_cell_angle_alpha 89.99016139999999
_cell_angle_beta 89.99016139999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24Sr5Ca3MnFe7O24
_chemical_formula_sum "Sr40 Ca24 Mn8 Fe56 O192"
_cell_length_a 15.5523386
_cell_length_b 31.104677199999998
_cell_length_c 7.7714... |
SuperCellAction | 33201df8-6580-45e9-8a51-c35c08ada6a2 | mp-1176457 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10
_chemical_formula_sum "Mn48 O16 F80"
_cell_length_a 5.858324
_cell_length_b 11.78386586
_cell_length_c 30.29964824
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966... |
SuperCellAction | 4928e58b-1b33-4f8b-ac19-e001d2856efb | mp-733581 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Pr8H8Se16O48
_chemical_formula_sum "Pr8 H8 Se16 O48"
_cell_length_a 7.08154831
_cell_length_b 8.41853341
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48Pr8H8Se16O48
_chemical_formula_sum "Pr48 H48 Se96 O288"
_cell_length_a 14.16309662
_cell_length_b 25.25560023
_cell_length_c 18.8842553
_cell_angle_alpha 90.0
_cell_angle_beta ... |
SuperCellAction | 7bb5a9d6-ba2e-4056-80f7-a5a7b118a992 | mp-1219022 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural SmTiFe11
_chemical_formula_sum "Sm1 Ti1 Fe11"
_cell_length_a 4.711788
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gamma 68.70115270999999
_... | data_image0
_chemical_formula_structural SmTiFe11SmTiFe11SmTiFe11
_chemical_formula_sum "Sm3 Ti3 Fe33"
_cell_length_a 14.135364000000001
_cell_length_b 6.48591216
_cell_length_c 6.48591216
_cell_angle_alpha 97.20522104999999
_cell_angle_beta 111.29884729000001
_cell_angle_gam... |
SuperCellAction | 1b464586-4321-4c14-a353-72efe1a9be74 | mp-1224278 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural K4PSe3O16
_chemical_formula_sum "K4 P1 Se3 O16"
_cell_length_a 7.629799
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_space_group... | data_image0
_chemical_formula_structural K4PSe3O16K4PSe3O16
_chemical_formula_sum "K8 P2 Se6 O32"
_cell_length_a 15.259598
_cell_length_b 7.85621056
_cell_length_c 7.88514763
_cell_angle_alpha 72.25737369
_cell_angle_beta 85.68888994999999
_cell_angle_gamma 87.02703044
_s... |
SuperCellAction | 46b15f73-ea88-46bd-a2cb-272e09103852 | mp-559350 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Zr4S16N16Cl24
_chemical_formula_sum "Zr4 S16 N16 Cl24"
_cell_length_a 7.219363
_cell_length_b 11.67949774
_cell_length_c 18.902764979999997
_cell_angle_alpha 102.7843475
_cell_angle_beta 98.62278857
_cell_angle_gamma 92.16053803
_s... | data_image0
_chemical_formula_structural Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24Zr4S16N16Cl24
_chemical_formula_sum "Zr32 S128 N128 Cl192"
_cell_length_a 7.219363
_cell_length_b 46.71799096
_cell_length_c 37.805529959999994
_cell_a... |
SuperCellAction | a2adfeba-703a-48d8-b1c1-aa59fa5883dc | mp-1407867 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Y2Sn4O8
_chemical_formula_sum "Y2 Sn4 O8"
_cell_length_a 6.86205727
_cell_length_b 6.862057270000001
_cell_length_c 6.862057270000001
_cell_angle_alpha 126.91866520999997
_cell_angle_beta 126.91866521
_cell_angle_gamma 78.38341797
... | data_image0
_chemical_formula_structural Y2Sn4O8Y2Sn4O8Y2Sn4O8Y2Sn4O8Y2Sn4O8Y2Sn4O8
_chemical_formula_sum "Y12 Sn24 O48"
_cell_length_a 6.86205727
_cell_length_b 13.724114540000002
_cell_length_c 20.586171810000003
_cell_angle_alpha 126.91866521
_cell_angle_beta 126.91866521
... |
SuperCellAction | 7a4edeef-03b4-4104-89cf-07decb6042cb | mp-1246950 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6MnC8N6
_chemical_formula_sum "Mn8 C64 N48"
_cell_length_a 22.7672916
_cell_length_b 7.22975951
_cell_length_c 14.459518300000001
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235... |
SuperCellAction | 442ad778-2082-4a26-8c9f-b92d3374110f | mp-29756 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Rb4B12O20
_chemical_formula_sum "Rb4 B12 O20"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 8.7437799
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Rb4B12O20Rb4B12O20
_chemical_formula_sum "Rb8 B24 O40"
_cell_length_a 6.15505139
_cell_length_b 8.47198793
_cell_length_c 17.4875598
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
SuperCellAction | f42549cd-92be-40a3-8262-bf3233b5e3ff | mp-510460 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Cs2La2Zn2Te6
_chemical_formula_sum "Cs2 La2 Zn2 Te6"
_cell_length_a 8.88004605
_cell_length_b 8.88004605
_cell_length_c 12.265881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 149.98271285000004
_space_group_name_H... | data_image0
_chemical_formula_structural Cs2La2Zn2Te6Cs2La2Zn2Te6Cs2La2Zn2Te6Cs2La2Zn2Te6
_chemical_formula_sum "Cs8 La8 Zn8 Te24"
_cell_length_a 17.7600921
_cell_length_b 8.88004605
_cell_length_c 24.531762
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 14... |
SuperCellAction | 8d8dc999-bca5-44f2-9b8d-b5075b75ce3d | mp-1030605 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Te2Mo3WSe6
_chemical_formula_sum "Te2 Mo3 W1 Se6"
_cell_length_a 3.37968023
_cell_length_b 3.3796802299999995
_cell_length_c 38.507669
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000445999999
_space_group_n... | data_image0
_chemical_formula_structural Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6Te2Mo3WSe6
_chemical_formula_sum "Te16 Mo24 W8 Se48"
_cell_length_a 3.37968023
_cell_length_b 6.759360459999999
_cell_length_c 154.030676
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | aae38b81-6a4e-4306-8e0d-ca5dcc1526c6 | mp-1227612 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42La18In10Se42
_chemical_formula_sum "La36 In20 Se84"
_cell_length_a 12.60651707
_cell_length_b 25.213034140000005
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0... |
SuperCellAction | 322c902c-8ba0-4cba-9d44-88b834cce78e | mp-1027965 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural YMg14Ga
_chemical_formula_sum "Y1 Mg14 Ga1"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 10.37809344
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural YMg14GaYMg14Ga
_chemical_formula_sum "Y2 Mg28 Ga2"
_cell_length_a 6.4783171
_cell_length_b 6.2636730499999995
_cell_length_c 20.75618688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 118.90990617
_space_group_name_... |
SuperCellAction | a6fc7c46-0195-401b-9c2c-373a0dcb3ea5 | mp-698134 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20
_chemical_formula_sum "K32 Na32 Sb32 H96 O48 F160"
_cell_length_a 35.805038
_cell_length_b 6.153828
_cell_length_c ... |
SuperCellAction | 1e6c508f-7457-4f3d-b724-7b00fc65df8f | mp-1195032 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Bi4Te4N4O24
_chemical_formula_sum "Bi4 Te4 N4 O24"
_cell_length_a 9.04492363
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Bi4Te4N4O24Bi4Te4N4O24
_chemical_formula_sum "Bi8 Te8 N8 O48"
_cell_length_a 18.08984726
_cell_length_b 7.39396633
_cell_length_c 8.19238192
_cell_angle_alpha 65.83183338
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 2571ad45-870d-4e2d-9ecd-f35d800ec0bb | mp-2196 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ba6Sb12
_chemical_formula_sum "Ba6 Sb12"
_cell_length_a 4.4286625
_cell_length_b 11.92156711
_cell_length_c 12.693525489999999
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6Sb12Ba6Sb12Ba6Sb12Ba6Sb12
_chemical_formula_sum "Ba24 Sb48"
_cell_length_a 8.857325
_cell_length_b 11.92156711
_cell_length_c 25.387050979999998
_cell_angle_alpha 101.41346017
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 9077a422-ff36-48bc-b2e2-b651abf3158c | mp-1224477 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural H11IN2O6
_chemical_formula_sum "H11 I1 N2 O6"
_cell_length_a 5.540447
_cell_length_b 5.54602506
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.61327356
_cell_angle_gamma 77.87890795
_space_group_name_H-... | data_image0
_chemical_formula_structural H11IN2O6H11IN2O6H11IN2O6H11IN2O6H11IN2O6H11IN2O6H11IN2O6H11IN2O6
_chemical_formula_sum "H88 I8 N16 O48"
_cell_length_a 22.161788
_cell_length_b 11.09205012
_cell_length_c 5.55388201
_cell_angle_alpha 77.76500148
_cell_angle_beta 77.613... |
SuperCellAction | dedfb06d-e297-4775-a60b-49becabbb4bf | mp-2230319 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural MgFe6O6F6
_chemical_formula_sum "Mg1 Fe6 O6 F6"
_cell_length_a 5.04393797
_cell_length_b 14.3697501
_cell_length_c 3.088218
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 88.21357987
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural MgFe6O6F6MgFe6O6F6MgFe6O6F6MgFe6O6F6MgFe6O6F6MgFe6O6F6
_chemical_formula_sum "Mg6 Fe36 O36 F36"
_cell_length_a 15.13181391
_cell_length_b 14.3697501
_cell_length_c 6.176436
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | a371f1cb-8c00-4747-b091-78d4af057354 | mp-1198979 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural K6Na14MgTl18
_chemical_formula_sum "K6 Na14 Mg1 Tl18"
_cell_length_a 10.60143563
_cell_length_b 10.60143563
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K6Na14MgTl18K6Na14MgTl18
_chemical_formula_sum "K12 Na28 Mg2 Tl36"
_cell_length_a 10.60143563
_cell_length_b 21.20287126
_cell_length_c 10.60143563
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
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