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 | 2f2f6cfc-4dcd-4b7c-8f6f-29fde68d3639 | mp-30650 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Mg12Ga6
_chemical_formula_sum "Mg12 Ga6"
_cell_length_a 7.64864885
_cell_length_b 7.64864804
_cell_length_c 6.98307274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg12Ga6Mg12Ga6Mg12Ga6Mg12Ga6
_chemical_formula_sum "Mg48 Ga24"
_cell_length_a 15.2972977
_cell_length_b 7.64864804
_cell_length_c 13.96614548
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00003825999998
_space_... |
SuperCellAction | b728d5c0-df43-456f-9627-4c47abd40205 | mp-1173764 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na5 Ce3 Ti6 Nb2 O24"
_cell_length_a 5.53853843
_cell_length_b 5.51219945
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma 90.0447047100000... | data_image0
_chemical_formula_structural Na5Ce3Ti6Nb2O24Na5Ce3Ti6Nb2O24
_chemical_formula_sum "Na10 Ce6 Ti12 Nb4 O48"
_cell_length_a 5.53853843
_cell_length_b 11.0243989
_cell_length_c 15.52114946
_cell_angle_alpha 89.94664857
_cell_angle_beta 90.00032967
_cell_angle_gamma ... |
SuperCellAction | 54d1be0c-9d2a-4706-bd8c-9d475ccbb12a | mp-773104 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55Sr24Fe16O55Sr24Fe16O55Sr24Fe16O55
_chemical_formula_sum "Sr96 Fe64 O220"
_cell_length_a 11.92926253
_cell_length_b 23.85852506
_cell_length_c 22.13746564
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle... |
SuperCellAction | cb546d91-161a-4043-9b7f-2fc049d198ed | mp-1193261 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Cs4H4C4N8O8
_chemical_formula_sum "Cs4 H4 C4 N8 O8"
_cell_length_a 4.875682
_cell_length_b 13.717342
_cell_length_c 7.961561659999999
_cell_angle_alpha 90.0
_cell_angle_beta 97.09784046
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8Cs4H4C4N8O8
_chemical_formula_sum "Cs32 H32 C32 N64 O64"
_cell_length_a 4.875682
_cell_length_b 54.869368
_cell_length_c 15.923123319999998
_cell_angle_alpha 90.0... |
SuperCellAction | 6e835e58-f8aa-4b44-92cb-d8029be5122e | mp-761166 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Li2Fe2F6
_chemical_formula_sum "Li2 Fe2 F6"
_cell_length_a 5.26450736
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.64166649999999
_space_group_n... | data_image0
_chemical_formula_structural Li2Fe2F6Li2Fe2F6Li2Fe2F6Li2Fe2F6
_chemical_formula_sum "Li8 Fe8 F24"
_cell_length_a 21.05802944
_cell_length_b 5.26450736
_cell_length_c 5.58662632
_cell_angle_alpha 62.53720544
_cell_angle_beta 62.53720544
_cell_angle_gamma 59.6416... |
SuperCellAction | b0bbb13d-3768-485f-8c0c-0dbd724a63f1 | mp-690575 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Nb4Ni2O12
_chemical_formula_sum "Nb4 Ni2 O12"
_cell_length_a 5.64998711
_cell_length_b 5.64998711
_cell_length_c 6.7760536899999995
_cell_angle_alpha 88.35719593
_cell_angle_beta 88.35719593
_cell_angle_gamma 71.38183627
_space_gro... | data_image0
_chemical_formula_structural Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12Nb4Ni2O12
_chemical_formula_sum "Nb32 Ni16 O96"
_cell_length_a 22.59994844
_cell_length_b 5.64998711
_cell_length_c 13.552107379999999
_cell_angle_alpha 88.35719593
_cell_angle... |
SuperCellAction | d88a7b8d-1ec1-4125-aa7d-1fc45387901f | mp-1272968 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Na2V4O8
_chemical_formula_sum "Na2 V4 O8"
_cell_length_a 5.19210069
_cell_length_b 5.94416701
_cell_length_c 6.629173150000001
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43049897
_cell_angle_gamma 89.99560242
_space_group_... | data_image0
_chemical_formula_structural Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8Na2V4O8
_chemical_formula_sum "Na16 V32 O64"
_cell_length_a 10.38420138
_cell_length_b 5.94416701
_cell_length_c 26.516692600000002
_cell_angle_alpha 116.63727697
_cell_angle_beta 103.43... |
SuperCellAction | 591485a0-7f6d-47ff-bed6-d4212fd98bfc | mp-1199536 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Sn4Mo4H24C8O16
_chemical_formula_sum "Sn4 Mo4 H24 C8 O16"
_cell_length_a 7.380515
_cell_length_b 7.443991
_cell_length_c 13.73188
_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 Sn4Mo4H24C8O16Sn4Mo4H24C8O16Sn4Mo4H24C8O16Sn4Mo4H24C8O16
_chemical_formula_sum "Sn16 Mo16 H96 C32 O64"
_cell_length_a 14.76103
_cell_length_b 7.443991
_cell_length_c 27.46376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 66c53135-9ef2-4ae8-bddf-31f461869c5c | mp-558119 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44Lu16Mo16O44Lu16Mo16O44
_chemical_formula_sum "Lu48 Mo48 O132"
_cell_length_a 5.668748
_cell_length_b 32.0064555
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space... |
SuperCellAction | 24ea804d-e534-4184-aac8-403d083cfaaa | mp-758218 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28Li4Ti4P8O28Li4Ti4P8O28
_chemical_formula_sum "Li12 Ti12 P24 O84"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 40.452343410000005
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 6d6f5d06-32e0-4fe8-bfc5-aaa2e1826cd0 | mp-557992 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural In4Te4Cl4O12
_chemical_formula_sum "In4 Te4 Cl4 O12"
_cell_length_a 7.031733
_cell_length_b 7.196003
_cell_length_c 8.64328525
_cell_angle_alpha 77.23700394
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural In4Te4Cl4O12In4Te4Cl4O12In4Te4Cl4O12In4Te4Cl4O12In4Te4Cl4O12In4Te4Cl4O12
_chemical_formula_sum "In24 Te24 Cl24 O72"
_cell_length_a 7.031733
_cell_length_b 21.588009
_cell_length_c 17.2865705
_cell_angle_alpha 77.23700394
_cell_angle_beta ... |
SuperCellAction | e10b5fab-bc07-44e0-b8a9-ba24a9f517d9 | mp-20817 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ge4Pt4Se4
_chemical_formula_sum "Ge4 Pt4 Se4"
_cell_length_a 6.02894882
_cell_length_b 6.05269499
_cell_length_c 6.11051989
_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 Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4Ge4Pt4Se4
_chemical_formula_sum "Ge16 Pt16 Se16"
_cell_length_a 12.05789764
_cell_length_b 12.10538998
_cell_length_c 6.11051989
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_... |
SuperCellAction | 2bdba3a6-34d6-4322-8d84-3e3bc51847a7 | mp-1027923 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural SrMg14Zr
_chemical_formula_sum "Sr1 Mg14 Zr1"
_cell_length_a 6.57608356
_cell_length_b 6.61396989
_cell_length_c 10.42359233
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrMg14ZrSrMg14ZrSrMg14ZrSrMg14Zr
_chemical_formula_sum "Sr4 Mg56 Zr4"
_cell_length_a 13.15216712
_cell_length_b 6.61396989
_cell_length_c 20.84718466
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.19076941
_spac... |
SuperCellAction | 11e98b96-f1a3-496a-8c63-2fdd876d78c9 | mp-669334 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Cd15I30
_chemical_formula_sum "Cd15 I30"
_cell_length_a 4.34447773
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Cd15I30Cd15I30Cd15I30Cd15I30
_chemical_formula_sum "Cd60 I120"
_cell_length_a 17.37791092
_cell_length_b 4.34447773
_cell_length_c 110.424958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999586
_space_group_... |
SuperCellAction | c851ee05-7310-4234-b247-e2b0c00fcd4c | mp-560545 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Na4Ca2As8O24
_chemical_formula_sum "Na4 Ca2 As8 O24"
_cell_length_a 10.131248
_cell_length_b 10.131248
_cell_length_c 5.239611
_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 Na4Ca2As8O24Na4Ca2As8O24Na4Ca2As8O24Na4Ca2As8O24
_chemical_formula_sum "Na16 Ca8 As32 O96"
_cell_length_a 40.524992
_cell_length_b 10.131248
_cell_length_c 5.239611
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 7e0f2063-fa54-4da6-b147-f7a8a243a0dd | mp-20083 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4Sc4Cu4Si4
_chemical_formula_sum "Sc24 Cu24 Si24"
_cell_length_a 11.84501655
_cell_length_b 6.53023046
_cell_length_c 14.32103206
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 79c2a612-cbdf-4c2c-b3ac-8d2e07f20f15 | mp-20250 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Pd8S8
_chemical_formula_sum "Pd8 S8"
_cell_length_a 6.47221786
_cell_length_b 6.47221786
_cell_length_c 6.6355318
_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_I... | data_image0
_chemical_formula_structural Pd8S8Pd8S8Pd8S8Pd8S8Pd8S8Pd8S8
_chemical_formula_sum "Pd48 S48"
_cell_length_a 12.94443572
_cell_length_b 6.47221786
_cell_length_c 19.9065954
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 875f697c-d31f-4863-8b67-a21b7c8449e3 | mp-13211 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Ag4Te4O14Ag4Te4O14
_chemical_formula_sum "Ag12 Te12 O42"
_cell_length_a 7.32596274
_cell_length_b 21.977772480000002
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamm... |
SuperCellAction | 6dd41449-11d7-4795-98be-2a7f7f6f5c4d | mp-10244 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Zr3Cu4Si4
_chemical_formula_sum "Zr3 Cu4 Si4"
_cell_length_a 3.92810485
_cell_length_b 6.36160577
_cell_length_c 7.52624214
_cell_angle_alpha 115.00265899
_cell_angle_beta 105.09630502
_cell_angle_gamma 90.00160276
_space_group_nam... | data_image0
_chemical_formula_structural Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4Zr3Cu4Si4
_chemical_formula_sum "Zr24 Cu32 Si32"
_cell_length_a 7.8562097
_cell_length_b 12.72321154
_cell_length_c 15.05248428
_cell_angle_alpha 115.00265899
_cell_angle_beta ... |
SuperCellAction | 96b3feb8-59c6-4442-93a5-4a17f11f49b6 | mp-758795 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li8Fe8Si12O36
_chemical_formula_sum "Li8 Fe8 Si12 O36"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li8Fe8Si12O36Li8Fe8Si12O36
_chemical_formula_sum "Li16 Fe16 Si24 O72"
_cell_length_a 7.32447
_cell_length_b 10.657702
_cell_length_c 24.78657954
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 64915bb6-97b5-477f-992d-fd19c2dbda20 | mp-762374 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Li4La3Nb12O36
_chemical_formula_sum "Li4 La3 Nb12 O36"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 11.309894320000001
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.8782134
_cell_angle_gamma 47.9613330499999... | data_image0
_chemical_formula_structural Li4La3Nb12O36Li4La3Nb12O36Li4La3Nb12O36Li4La3Nb12O36
_chemical_formula_sum "Li16 La12 Nb48 O144"
_cell_length_a 9.80564201
_cell_length_b 9.80564201
_cell_length_c 45.239577280000006
_cell_angle_alpha 72.8782134
_cell_angle_beta 72.878... |
SuperCellAction | 41312186-3c83-48ed-9017-7f447882cf8d | mp-1190647 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Ge6F16
_chemical_formula_sum "Ge6 F16"
_cell_length_a 4.95938389
_cell_length_b 5.07969646
_cell_length_c 11.6762519
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ge6F16Ge6F16Ge6F16Ge6F16
_chemical_formula_sum "Ge24 F64"
_cell_length_a 9.91876778
_cell_length_b 5.07969646
_cell_length_c 23.3525038
_cell_angle_alpha 90.0
_cell_angle_beta 90.8456569
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | b5b53d8a-991f-4be0-9910-21e6ffc95c45 | mp-1201547 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ho16B4Cl4O28
_chemical_formula_sum "Ho16 B4 Cl4 O28"
_cell_length_a 8.036807
_cell_length_b 8.596474
_cell_length_c 12.24668418
_cell_angle_alpha 59.98757995999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ho16B4Cl4O28Ho16B4Cl4O28Ho16B4Cl4O28Ho16B4Cl4O28Ho16B4Cl4O28Ho16B4Cl4O28
_chemical_formula_sum "Ho96 B24 Cl24 O168"
_cell_length_a 8.036807
_cell_length_b 25.789422000000002
_cell_length_c 24.49336836
_cell_angle_alpha 59.987579960000005
_... |
SuperCellAction | 088d9482-544f-410f-9616-9b58660869fd | mp-541574 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ba4Y8Co4O20
_chemical_formula_sum "Ba4 Y8 Co4 O20"
_cell_length_a 5.770025
_cell_length_b 7.158529
_cell_length_c 12.39054
_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 Ba4Y8Co4O20Ba4Y8Co4O20Ba4Y8Co4O20Ba4Y8Co4O20Ba4Y8Co4O20Ba4Y8Co4O20
_chemical_formula_sum "Ba24 Y48 Co24 O120"
_cell_length_a 5.770025
_cell_length_b 14.317058
_cell_length_c 37.17162
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 39ec11bc-52dd-4551-b542-f318303a885d | mp-780652 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58Li8V6P16O58
_chemical_formula_sum "Li48 V36 P96 O348"
_cell_length_a 19.519402
_cell_length_b 9.77116265
_cell_length_c 42.4754589
_cell_angle_alpha 90.21434484
_cell_angle_beta 90... |
SuperCellAction | e93f07a5-6a20-4066-b302-e0eebfba9b7f | mp-1209287 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Rb8Sb8Cl8F24
_chemical_formula_sum "Rb8 Sb8 Cl8 F24"
_cell_length_a 8.238391
_cell_length_b 8.530666
_cell_length_c 15.415517
_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 Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24Rb8Sb8Cl8F24
_chemical_formula_sum "Rb64 Sb64 Cl64 F192"
_cell_length_a 32.953564
_cell_length_b 17.061332
_cell_length_c 15.415517
_cell_angle_alpha 90.0
... |
SuperCellAction | 730bef1f-7921-40fe-bc64-5978a33671bb | mp-9619 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural ThFe4P12
_chemical_formula_sum "Th1 Fe4 P12"
_cell_length_a 6.73149237
_cell_length_b 6.73149087
_cell_length_c 6.73149244
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109.47122107
_space_group_nam... | data_image0
_chemical_formula_structural ThFe4P12ThFe4P12ThFe4P12ThFe4P12
_chemical_formula_sum "Th4 Fe16 P48"
_cell_length_a 13.46298474
_cell_length_b 6.73149087
_cell_length_c 13.46298488
_cell_angle_alpha 109.47121618
_cell_angle_beta 109.47121161
_cell_angle_gamma 109... |
SuperCellAction | 26211630-2301-4ef2-bb66-937a9f790add | mp-1120783 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Al30C30
_chemical_formula_sum "Al30 C30"
_cell_length_a 29.969771
_cell_length_b 8.06643
_cell_length_c 8.10666236
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al30C30Al30C30Al30C30Al30C30Al30C30Al30C30
_chemical_formula_sum "Al180 C180"
_cell_length_a 29.969771
_cell_length_b 16.13286
_cell_length_c 24.319987079999997
_cell_angle_alpha 89.63626339999999
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | 5ddb5e0c-ba00-47fc-bc29-2eb086e11b83 | mp-1212973 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Eu3Ti2O7
_chemical_formula_sum "Eu3 Ti2 O7"
_cell_length_a 10.51063287
_cell_length_b 10.510632869999998
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamma 30.631133560000006
_... | data_image0
_chemical_formula_structural Eu3Ti2O7Eu3Ti2O7Eu3Ti2O7Eu3Ti2O7
_chemical_formula_sum "Eu12 Ti8 O28"
_cell_length_a 21.02126574
_cell_length_b 21.021265739999997
_cell_length_c 10.51063287
_cell_angle_alpha 158.47110958
_cell_angle_beta 158.47110958
_cell_angle_gamm... |
SuperCellAction | e5122f99-f353-4b66-9bea-a314305a014c | mp-699431 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Al2H8Se4O16
_chemical_formula_sum "Al2 H8 Se4 O16"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 8.922044719999999
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16Al2H8Se4O16
_chemical_formula_sum "Al8 H32 Se16 O64"
_cell_length_a 6.640272
_cell_length_b 7.408615
_cell_length_c 35.688178879999995
_cell_angle_alpha 54.03288984999999
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | e3746fe2-0a62-4916-a7fb-efe9cb1c53f1 | mp-758323 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24Li2Ti3CoP6O24
_chemical_formula_sum "Li8 Ti12 Co4 P24 O96"
_cell_length_a 17.29473554
_cell_length_b 17.29473554
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677... |
SuperCellAction | 05f47a43-3452-49c3-88a9-af14cd0ec27b | mp-1213028 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2ErMn6Sn4Ge2
_chemical_formula_sum "Er8 Mn48 Sn32 Ge16"
_cell_length_a 5.3464204
_cell_length_b 21.3856816
_cell_length_c 17.329248
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 515145f4-8965-4ec0-bfb9-c437dc077ccb | mp-707519 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Mg16Si8HO32
_chemical_formula_sum "Mg16 Si8 H1 O32"
_cell_length_a 6.102962
_cell_length_b 9.63574753
_cell_length_c 10.39727497
_cell_angle_alpha 90.16461189
_cell_angle_beta 90.64687078
_cell_angle_gamma 90.73067906
_space_group_... | data_image0
_chemical_formula_structural Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32Mg16Si8HO32
_chemical_formula_sum "Mg128 Si64 H8 O256"
_cell_length_a 12.205924
_cell_length_b 19.27149506
_cell_length_c 20.79454994
_cell_angle_alpha 90.1646118... |
SuperCellAction | b713bd8b-a0ed-4563-93fc-40f6c3ea2f3c | mp-1043069 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12ZnCr4Cu3O12ZnCr4Cu3O12ZnCr4Cu3O12
_chemical_formula_sum "Zn4 Cr16 Cu12 O48"
_cell_length_a 6.35183077
_cell_length_b 12.731323599999998
_cell_length_c 12.73045976
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999... |
SuperCellAction | c2412695-3c88-48af-a48a-bfcb0eeb524d | mp-1188929 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Ti2Nb6S12
_chemical_formula_sum "Ti2 Nb6 S12"
_cell_length_a 5.81280398
_cell_length_b 5.81266
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_beta 89.99973722999998
_cell_angle_gamma 119.98633039
_space_... | data_image0
_chemical_formula_structural Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12Ti2Nb6S12
_chemical_formula_sum "Ti16 Nb48 S96"
_cell_length_a 23.25121592
_cell_length_b 11.62532
_cell_length_c 12.53619922
_cell_angle_alpha 89.99977779999999
_cell_angle_be... |
SuperCellAction | 58c6a513-3df5-45cb-8173-94de066de6c7 | mp-29591 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Sb6Cl2O8
_chemical_formula_sum "Sb6 Cl2 O8"
_cell_length_a 5.32733935
_cell_length_b 5.62084491
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8Sb6Cl2O8
_chemical_formula_sum "Sb48 Cl16 O64"
_cell_length_a 21.3093574
_cell_length_b 11.24168982
_cell_length_c 9.74475617
_cell_angle_alpha 94.99436294000002
_cell_angle_beta ... |
SuperCellAction | f95885dc-9934-411a-9d58-ca68425f8ead | mp-1223532 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8
_chemical_formula_sum "K16 La16 C16 O64"
_cell_length_a 14.744388
_cell_length_b 9.521238
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | a655ec15-928a-4519-a4b0-2715f4c395b8 | mp-764512 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24Li5Fe8B8O24
_chemical_formula_sum "Li30 Fe48 B48 O144"
_cell_length_a 15.815000999999999
_cell_length_b 18.08757604
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_ce... |
SuperCellAction | eb7c12a4-8dca-4585-8068-cdb3c8120e66 | mp-556425 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Sb16F64
_chemical_formula_sum "Sb16 F64"
_cell_length_a 11.93503364
_cell_length_b 9.27435759
_cell_length_c 11.57642252
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb16F64Sb16F64Sb16F64Sb16F64
_chemical_formula_sum "Sb64 F256"
_cell_length_a 23.87006728
_cell_length_b 9.27435759
_cell_length_c 23.15284504
_cell_angle_alpha 72.80936813
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 08628900-b298-47bd-a5af-59c7b5c3cb4e | mp-1376805 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Li3Fe5OF11
_chemical_formula_sum "Li3 Fe5 O1 F11"
_cell_length_a 5.256081
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamma 116.84259537
_space_group_n... | data_image0
_chemical_formula_structural Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11Li3Fe5OF11
_chemical_formula_sum "Li12 Fe20 O4 F44"
_cell_length_a 21.024324
_cell_length_b 5.68770732
_cell_length_c 9.29113358
_cell_angle_alpha 107.28857676
_cell_angle_beta 89.09800657
_cell_angle_gamm... |
SuperCellAction | 6f909adc-7a2f-4316-91fe-a3d0fef9af77 | mp-769018 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48Li4Fe8S12O48
_chemical_formula_sum "Li16 Fe32 S48 O192"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 58.76646236
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | e36116f7-fc3c-41f0-a65f-fe38c460e2f9 | mp-1190454 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ba2Hg2As4O14
_chemical_formula_sum "Ba2 Hg2 As4 O14"
_cell_length_a 5.946996
_cell_length_b 7.62598166
_cell_length_c 7.976073309999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.95418678000001
_cell_angle_gamma 96.90320637
... | data_image0
_chemical_formula_structural Ba2Hg2As4O14Ba2Hg2As4O14Ba2Hg2As4O14Ba2Hg2As4O14
_chemical_formula_sum "Ba8 Hg8 As16 O56"
_cell_length_a 11.893992
_cell_length_b 7.62598166
_cell_length_c 15.952146619999999
_cell_angle_alpha 101.61846343
_cell_angle_beta 90.954186780... |
SuperCellAction | 4ae5ddbf-5a33-4529-ae7c-458906dd0393 | mp-26956 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48V4P16O48V4P16O48V4P16O48
_chemical_formula_sum "V16 P64 O192"
_cell_length_a 8.410582
_cell_length_b 36.778752
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | 32763ff1-68e8-4cff-8ac3-84b83c3e1f00 | mp-685100 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Cu14I19
_chemical_formula_sum "Cu14 I19"
_cell_length_a 4.22313188
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_space_gr... | data_image0
_chemical_formula_structural Cu14I19Cu14I19
_chemical_formula_sum "Cu28 I38"
_cell_length_a 8.44626376
_cell_length_b 4.22313188
_cell_length_c 67.35931072000001
_cell_angle_alpha 88.48193098
_cell_angle_beta 88.48193098
_cell_angle_gamma 60.305504539999994
_s... |
SuperCellAction | 0d64b099-0557-47b4-a35e-0d354aa00690 | mp-758465 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li8Fe4Si4O16
_chemical_formula_sum "Li8 Fe4 Si4 O16"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 10.98591249
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li8Fe4Si4O16Li8Fe4Si4O16
_chemical_formula_sum "Li16 Fe8 Si8 O32"
_cell_length_a 5.036854
_cell_length_b 6.341048
_cell_length_c 21.97182498
_cell_angle_alpha 87.58882018000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | ef2cb953-9d74-4a1d-b0a8-793fff9b74fd | mp-1236405 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Cs7LiAu5O2
_chemical_formula_sum "Cs7 Li1 Au5 O2"
_cell_length_a 5.97147771
_cell_length_b 10.33391587
_cell_length_c 10.80351527
_cell_angle_alpha 118.57563323999999
_cell_angle_beta 105.98975446
_cell_angle_gamma 89.99598372000001... | data_image0
_chemical_formula_structural Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2Cs7LiAu5O2
_chemical_formula_sum "Cs56 Li8 Au40 O16"
_cell_length_a 11.94295542
_cell_length_b 10.33391587
_cell_length_c 43.21406108
_cell_angle_alpha 118.5756332399999... |
SuperCellAction | 1aed4950-048b-4e00-87c8-2a16a3195458 | mp-26069 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li12Fe8P12O48
_chemical_formula_sum "Li12 Fe8 P12 O48"
_cell_length_a 8.756093
_cell_length_b 8.50317
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48Li12Fe8P12O48
_chemical_formula_sum "Li48 Fe32 P48 O192"
_cell_length_a 17.512186
_cell_length_b 17.00634
_cell_length_c 14.72001694
_cell_angle_alpha 55.23547895
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | c3875f64-2b34-43fc-83a6-b22eb6f367f7 | mp-1220955 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural NaSr2Fe6As6
_chemical_formula_sum "Na1 Sr2 Fe6 As6"
_cell_length_a 5.51590271
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural NaSr2Fe6As6NaSr2Fe6As6
_chemical_formula_sum "Na2 Sr4 Fe12 As12"
_cell_length_a 11.03180542
_cell_length_b 6.51737211
_cell_length_c 8.85506829
_cell_angle_alpha 114.12208189
_cell_angle_beta 71.85308938
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | d1fa3595-d6a0-4e43-8837-7536b659b8bf | mp-1218118 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural SrSm3Mn4O12
_chemical_formula_sum "Sr1 Sm3 Mn4 O12"
_cell_length_a 7.759847
_cell_length_b 5.466754
_cell_length_c 5.65238137
_cell_angle_alpha 89.69635752
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12SrSm3Mn4O12
_chemical_formula_sum "Sr8 Sm24 Mn32 O96"
_cell_length_a 7.759847
_cell_length_b 10.933508
_cell_length_c 22.60952548
_cell_angle_alpha 89.69635752
_c... |
SuperCellAction | 0d1f8a94-d02d-439f-881b-9c564844d0de | mp-1111394 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6CsRb2IrF6CsRb2IrF6CsRb2IrF6CsRb2IrF6CsRb2IrF6
_chemical_formula_sum "Cs6 Rb12 Ir6 F36"
_cell_length_a 13.56856738
_cell_length_b 20.352851069999996
_cell_length_c 6.78428369
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | 986bf16c-fc4a-4f5f-95fc-43e763d110d8 | mp-757501 | Create a supercell with the size 1 by 4 by 2. | data_image0
_chemical_formula_structural Ba6Mn6O18
_chemical_formula_sum "Ba6 Mn6 O18"
_cell_length_a 5.69121041
_cell_length_b 5.6912105
_cell_length_c 14.053766149999998
_cell_angle_alpha 90.0000012
_cell_angle_beta 89.9999992
_cell_angle_gamma 120.00005113
_space_group... | data_image0
_chemical_formula_structural Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18Ba6Mn6O18
_chemical_formula_sum "Ba48 Mn48 O144"
_cell_length_a 5.69121041
_cell_length_b 22.764842
_cell_length_c 28.107532299999995
_cell_angle_alpha 90.0000012
_cell_angle_b... |
SuperCellAction | 5d07168e-5aed-42b1-bf2f-cbd0541fdc02 | mp-757811 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Li6V6P8O32
_chemical_formula_sum "Li6 V6 P8 O32"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 8.723597300000002
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li6V6P8O32Li6V6P8O32Li6V6P8O32Li6V6P8O32
_chemical_formula_sum "Li24 V24 P32 O128"
_cell_length_a 11.287402
_cell_length_b 6.188605
_cell_length_c 34.894389200000006
_cell_angle_alpha 79.1560149
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 1fcad1a2-15cd-468d-89e7-885d3b122834 | mp-1239124 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8
_chemical_formula_sum "Zr2 Cr2 Cu2 S8"
_cell_length_a 7.15543779
_cell_length_b 6.081561600000001
_cell_length_c 5.95362075
_cell_angle_alpha 92.72278084
_cell_angle_beta 89.99806957
_cell_angle_gamma 90.00046963
_space... | data_image0
_chemical_formula_structural Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8Zr2Cr2Cu2S8
_chemical_formula_sum "Zr16 Cr16 Cu16 S64"
_cell_length_a 14.31087558
_cell_length_b 12.163123200000001
_cell_length_c 11.9072415
_cell_angle_alpha 92... |
SuperCellAction | cd3032ab-a43c-455f-82b5-a3042f54a0a2 | mp-1224356 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeGe5Te4Se
_chemical_formula_sum "Ge10 Te8 Se2"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 30.788846640000003
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma ... |
SuperCellAction | 8936b60a-b306-4389-991c-17d894a0e015 | mp-23043 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Rb2Pb4Br10
_chemical_formula_sum "Rb2 Pb4 Br10"
_cell_length_a 9.54845393
_cell_length_b 9.54845393
_cell_length_c 9.54845393
_cell_angle_alpha 127.32959069999995
_cell_angle_beta 127.32959069999998
_cell_angle_gamma 77.71361011
_s... | data_image0
_chemical_formula_structural Rb2Pb4Br10Rb2Pb4Br10Rb2Pb4Br10Rb2Pb4Br10Rb2Pb4Br10Rb2Pb4Br10
_chemical_formula_sum "Rb12 Pb24 Br60"
_cell_length_a 19.09690786
_cell_length_b 9.54845393
_cell_length_c 28.645361790000003
_cell_angle_alpha 127.32959069999998
_cell_angle_bet... |
SuperCellAction | b29175eb-98ae-44e3-8494-30d6880854cf | mp-1110869 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural K2LiBiCl6
_chemical_formula_sum "K2 Li1 Bi1 Cl6"
_cell_length_a 7.45983371
_cell_length_b 7.45983371
_cell_length_c 7.45983371
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural K2LiBiCl6K2LiBiCl6K2LiBiCl6
_chemical_formula_sum "K6 Li3 Bi3 Cl18"
_cell_length_a 7.45983371
_cell_length_b 22.379501129999998
_cell_length_c 7.45983371
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_ang... |
SuperCellAction | 53d3c652-8f0c-4a3c-a412-9b06a87cd31a | mp-29276 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Cd4P12O34
_chemical_formula_sum "Cd4 P12 O34"
_cell_length_a 18.14337869
_cell_length_b 5.50104233
_cell_length_c 7.61768762
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Cd4P12O34Cd4P12O34Cd4P12O34Cd4P12O34Cd4P12O34Cd4P12O34
_chemical_formula_sum "Cd24 P72 O204"
_cell_length_a 18.14337869
_cell_length_b 11.00208466
_cell_length_c 22.853062859999998
_cell_angle_alpha 68.48695643
_cell_angle_beta 90.0
_c... |
SuperCellAction | 76edbc7f-57df-41b1-b565-2805ca8d4241 | mp-504659 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Hf24P12
_chemical_formula_sum "Hf24 P12"
_cell_length_a 3.58496007
_cell_length_b 12.21962583
_cell_length_c 15.00803885
_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 Hf24P12Hf24P12Hf24P12Hf24P12Hf24P12Hf24P12Hf24P12Hf24P12
_chemical_formula_sum "Hf192 P96"
_cell_length_a 14.33984028
_cell_length_b 24.43925166
_cell_length_c 15.00803885
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 6190968f-159c-4b3f-ab92-d43e882e69a4 | mp-1221529 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Mn2Zn2S8
_chemical_formula_sum "Mn2 Zn2 S8"
_cell_length_a 5.725862
_cell_length_b 5.715813
_cell_length_c 5.7419629
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8Mn2Zn2S8
_chemical_formula_sum "Mn16 Zn16 S64"
_cell_length_a 5.725862
_cell_length_b 22.863252
_cell_length_c 11.4839258
_cell_angle_alpha 89.56709164
_cell_angle_beta 90.0
_cell... |
SuperCellAction | f87e5e95-dea3-4cd2-9e09-d0cd0920aee7 | mp-31273 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16
_chemical_formula_sum "La64 Cu32 S128"
_cell_length_a 30.31217744
_cell_length_b 15.4998606
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta ... |
SuperCellAction | 0668798f-8699-4865-b16b-232942d66579 | mp-1221103 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural NaV2S4O4
_chemical_formula_sum "Na1 V2 S4 O4"
_cell_length_a 3.786281
_cell_length_b 5.825814
_cell_length_c 10.46489165
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural NaV2S4O4NaV2S4O4NaV2S4O4NaV2S4O4NaV2S4O4NaV2S4O4
_chemical_formula_sum "Na6 V12 S24 O24"
_cell_length_a 11.358843
_cell_length_b 5.825814
_cell_length_c 20.9297833
_cell_angle_alpha 74.1597122
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | acb06761-5e63-41f4-9a56-059b1be1031c | mp-23973 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural K4Mn4P4H8O20
_chemical_formula_sum "K4 Mn4 P4 H8 O20"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 9.82198348
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cell_angle_gamma 98.87216427999999
_spac... | data_image0
_chemical_formula_structural K4Mn4P4H8O20K4Mn4P4H8O20K4Mn4P4H8O20K4Mn4P4H8O20
_chemical_formula_sum "K16 Mn16 P16 H32 O80"
_cell_length_a 7.57882163
_cell_length_b 7.5755201
_cell_length_c 39.28793392
_cell_angle_alpha 70.94888752
_cell_angle_beta 70.91164623
_cel... |
SuperCellAction | 3c7520b5-1f7e-46ca-8890-d6cb27e7f165 | mp-1188654 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural W4N4Cl12
_chemical_formula_sum "W4 N4 Cl12"
_cell_length_a 8.12441992
_cell_length_b 8.26346325
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.37182531999999
_cell_angle_gamma 110.76745427000002
_space... | data_image0
_chemical_formula_structural W4N4Cl12W4N4Cl12W4N4Cl12W4N4Cl12W4N4Cl12W4N4Cl12W4N4Cl12W4N4Cl12
_chemical_formula_sum "W32 N32 Cl96"
_cell_length_a 16.24883984
_cell_length_b 33.053853
_cell_length_c 9.19329053
_cell_angle_alpha 97.92750325
_cell_angle_beta 107.3718... |
SuperCellAction | c5a84f00-9709-4cd2-8283-5cdf61793be7 | mp-571242 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Rb8Co4Cl16
_chemical_formula_sum "Rb8 Co4 Cl16"
_cell_length_a 7.387085
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16Rb8Co4Cl16
_chemical_formula_sum "Rb32 Co16 Cl64"
_cell_length_a 29.54834
_cell_length_b 9.38057
_cell_length_c 12.932925
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 36321ef4-a153-47b5-b958-58d05e4ef4d6 | mp-505638 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_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 Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24
_chemical_formula_sum "Tb72 Cr24 Se144"
_cell_length_a 7.87699682
_cell_length_b 41.85809517
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | b324f010-4407-41fd-86ef-1c85ddf91d82 | mp-1210133 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Na4Ga4P8O28
_chemical_formula_sum "Na4 Ga4 P8 O28"
_cell_length_a 7.923065
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28Na4Ga4P8O28
_chemical_formula_sum "Na16 Ga16 P32 O112"
_cell_length_a 31.69226
_cell_length_b 7.374088
_cell_length_c 9.57433286
_cell_angle_alpha 67.84418012
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | adf6e274-020a-4152-b385-4a85d62deb94 | mp-2217302 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Ba2MgNi2O6
_chemical_formula_sum "Ba2 Mg1 Ni2 O6"
_cell_length_a 5.769695
_cell_length_b 5.76969214
_cell_length_c 5.579483
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ba2MgNi2O6Ba2MgNi2O6Ba2MgNi2O6Ba2MgNi2O6
_chemical_formula_sum "Ba8 Mg4 Ni8 O24"
_cell_length_a 11.53939
_cell_length_b 5.76969214
_cell_length_c 11.158966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99997936
... |
SuperCellAction | 6fd2e49f-82ea-4451-a0dc-b0852a93e173 | mp-2715515 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Na12Sc4In4P12O48
_chemical_formula_sum "Na12 Sc4 In4 P12 O48"
_cell_length_a 15.76486001
_cell_length_b 9.08651758
_cell_length_c 9.08837646
_cell_angle_alpha 90.03804390000002
_cell_angle_beta 125.0957745
_cell_angle_gamma 89.99739... | data_image0
_chemical_formula_structural Na12Sc4In4P12O48Na12Sc4In4P12O48Na12Sc4In4P12O48Na12Sc4In4P12O48Na12Sc4In4P12O48Na12Sc4In4P12O48
_chemical_formula_sum "Na72 Sc24 In24 P72 O288"
_cell_length_a 47.29458003
_cell_length_b 9.08651758
_cell_length_c 18.17675292
_cell_angle_alpha... |
SuperCellAction | 58c87c9d-5867-46ba-8f91-6f6697c0f326 | mp-1102140 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4Nd4Si4Ir4
_chemical_formula_sum "Nd24 Si24 Ir24"
_cell_length_a 12.67333388
_cell_length_b 6.33666694
_cell_length_c 19.01000082
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | db1543ad-8427-46a7-bddf-b0fcf062a79c | mp-1194264 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7Sc6Al16Ni7
_chemical_formula_sum "Sc48 Al128 Ni56"
_cell_length_a 17.07383146
_cell_length_b 17.07383146
_cell_length_c 17.07383146
_cell_angle_alpha 59.99999999999999
_... |
SuperCellAction | a58a27d7-22de-4989-ade2-85e85a778379 | mp-2226919 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg1 Fe2 Mo2 Cl2 O8"
_cell_length_a 5.33320689
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
_cell_angle_gamma 89.2235641
_space_g... | data_image0
_chemical_formula_structural MgFe2Mo2Cl2O8MgFe2Mo2Cl2O8MgFe2Mo2Cl2O8MgFe2Mo2Cl2O8
_chemical_formula_sum "Mg4 Fe8 Mo8 Cl8 O32"
_cell_length_a 21.33282756
_cell_length_b 7.18641312
_cell_length_c 7.20677149
_cell_angle_alpha 92.84107388
_cell_angle_beta 89.34579586
... |
SuperCellAction | 7ac49765-7801-4a16-9e79-27ceaa05f875 | mp-2240560 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural MgTiCo2O6
_chemical_formula_sum "Mg1 Ti1 Co2 O6"
_cell_length_a 6.73686587
_cell_length_b 3.0145380700000004
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_cell_angle_beta 104.75206637
_cell_angle_gamma 89.44645409... | data_image0
_chemical_formula_structural MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6MgTiCo2O6
_chemical_formula_sum "Mg8 Ti8 Co16 O48"
_cell_length_a 26.94746348
_cell_length_b 6.029076140000001
_cell_length_c 5.8034589599999995
_cell_angle_alpha 75.93404697
_... |
SuperCellAction | d5b6e2db-db19-4c54-8a17-ad15ff05cecb | mp-770718 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Mg4I8O24
_chemical_formula_sum "Mg4 I8 O24"
_cell_length_a 5.390324
_cell_length_b 5.70446
_cell_length_c 17.26379
_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_... | data_image0
_chemical_formula_structural Mg4I8O24Mg4I8O24Mg4I8O24Mg4I8O24Mg4I8O24Mg4I8O24
_chemical_formula_sum "Mg24 I48 O144"
_cell_length_a 5.390324
_cell_length_b 11.40892
_cell_length_c 51.79137
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | b4bd884c-e60f-4416-8d4e-910d580cbaeb | mp-704184 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Li4Mn4P16O48
_chemical_formula_sum "Li4 Mn4 P16 O48"
_cell_length_a 9.314677
_cell_length_b 9.314677
_cell_length_c 9.332751
_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 Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48Li4Mn4P16O48
_chemical_formula_sum "Li32 Mn32 P128 O384"
_cell_length_a 18.629354
_cell_length_b 18.629354
_cell_length_c 18.665502
_cell_angle_alpha 90.0
... |
SuperCellAction | 5e0560cb-9dce-4668-b45a-5346c5f21ba9 | mp-1336779 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Lu20Fe10S40
_chemical_formula_sum "Lu20 Fe10 S40"
_cell_length_a 7.560596
_cell_length_b 7.682109979999999
_cell_length_c 31.038779590000004
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.21349288999998
_cell_angle_gamma 11... | data_image0
_chemical_formula_structural Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40Lu20Fe10S40
_chemical_formula_sum "Lu80 Fe40 S160"
_cell_length_a 7.560596
_cell_length_b 15.364219959999998
_cell_length_c 62.07755918000001
_cell_angle_alpha 96.46261670999999
_cell_angle_beta 90.2134... |
SuperCellAction | 82d6dfac-3e99-488f-9515-5664a36a9636 | mp-1516503 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6KHfNbInO6KHfNbInO6
_chemical_formula_sum "K3 Hf3 Nb3 In3 O18"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 17.36948736
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_ga... |
SuperCellAction | 62895640-eaa9-4b6f-ad1e-e7b67ba168d4 | mp-1195261 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Ag6Sb8F48
_chemical_formula_sum "Ag6 Sb8 F48"
_cell_length_a 10.98733358
_cell_length_b 10.987333580000001
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063... | data_image0
_chemical_formula_structural Ag6Sb8F48Ag6Sb8F48Ag6Sb8F48
_chemical_formula_sum "Ag18 Sb24 F144"
_cell_length_a 10.98733358
_cell_length_b 32.96200074
_cell_length_c 10.987333580000001
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_g... |
SuperCellAction | 7a0d4a7a-5122-4577-bb92-7c1fb8dad0e0 | mp-1099676 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba4 Sr4 Co1 Cu7 O24"
_cell_length_a 7.91666219
_cell_length_b 7.91666219
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90.00985648
_spac... | data_image0
_chemical_formula_structural Ba4Sr4CoCu7O24Ba4Sr4CoCu7O24
_chemical_formula_sum "Ba8 Sr8 Co2 Cu14 O48"
_cell_length_a 7.91666219
_cell_length_b 15.83332438
_cell_length_c 7.92090246
_cell_angle_alpha 89.93417752
_cell_angle_beta 89.93417752
_cell_angle_gamma 90... |
SuperCellAction | df0ddd8c-803a-4344-89e0-9140081d7e09 | mp-779526 | Create a supercell with the size 2x3x1. | 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 Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6Fe10O14F6
_chemical_formula_sum "Fe60 O84 F36"
_cell_length_a 9.32501682
_cell_length_b 13.98752523
_cell_length_c 15.263086439999999
_cell_angle_alpha 89.97313512
_cell_angle_beta 89.973135... |
SuperCellAction | 88832ffa-dcf0-457e-a474-c74ebee160e3 | mp-770481 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Ta9PO25
_chemical_formula_sum "Ta9 P1 O25"
_cell_length_a 11.21513065
_cell_length_b 11.21512517
_cell_length_c 11.21509722
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_cell_angle_gamma 160.29681594
_space_group_name... | data_image0
_chemical_formula_structural Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25Ta9PO25
_chemical_formula_sum "Ta72 P8 O200"
_cell_length_a 44.8605226
_cell_length_b 11.21512517
_cell_length_c 22.43019444
_cell_angle_alpha 91.67753232
_cell_angle_beta 91.67759269
_c... |
SuperCellAction | e3f4331c-f1f4-44cf-8726-ff725b1bbda9 | mp-505712 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs2 Ho2 Zn2 Se6"
_cell_length_a 8.28448384
_cell_length_b 8.28448384
_cell_length_c 10.92566093
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 151.10575998000002
_space_group_name... | data_image0
_chemical_formula_structural Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6Cs2Ho2Zn2Se6
_chemical_formula_sum "Cs8 Ho8 Zn8 Se24"
_cell_length_a 16.56896768
_cell_length_b 8.28448384
_cell_length_c 21.85132186
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | c8763d89-7345-465c-ab1a-14d9759a0aaf | mp-27148 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Be8P16
_chemical_formula_sum "Be8 P16"
_cell_length_a 7.09559749
_cell_length_b 7.09554379
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma 89.99270083
_space_group_name... | data_image0
_chemical_formula_structural Be8P16Be8P16Be8P16Be8P16Be8P16Be8P16
_chemical_formula_sum "Be48 P96"
_cell_length_a 14.19119498
_cell_length_b 21.28663137
_cell_length_c 7.91790262
_cell_angle_alpha 102.93066382999999
_cell_angle_beta 102.93109404
_cell_angle_gamma ... |
SuperCellAction | dc11624f-5402-4ed5-96ed-4da4c1ae0283 | mp-756674 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Li12Mn4O8F4
_chemical_formula_sum "Li12 Mn4 O8 F4"
_cell_length_a 9.02285
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma 90.00002418999999
_space_group_nam... | data_image0
_chemical_formula_structural Li12Mn4O8F4Li12Mn4O8F4Li12Mn4O8F4Li12Mn4O8F4
_chemical_formula_sum "Li48 Mn16 O32 F16"
_cell_length_a 36.0914
_cell_length_b 9.97236
_cell_length_c 3.55013
_cell_angle_alpha 89.99999425
_cell_angle_beta 89.99999365
_cell_angle_gamma ... |
SuperCellAction | 9b65fe3c-690e-41b8-b183-c0d2f50dbc69 | mp-766361 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Nb20O50Nb20O50Nb20O50
_chemical_formula_sum "Nb80 O200"
_cell_length_a 23.03147298
_cell_length_b 15.46243044
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282... |
SuperCellAction | 381b6776-81cf-49b8-8e62-411d0fcc90d6 | mp-1185716 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Mg16Al12V
_chemical_formula_sum "Mg16 Al12 V1"
_cell_length_a 9.00457005
_cell_length_b 9.004570050000002
_cell_length_c 9.00456959
_cell_angle_alpha 108.85703769
_cell_angle_beta 108.85703769
_cell_angle_gamma 108.85703914999999
_... | data_image0
_chemical_formula_structural Mg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12VMg16Al12V
_chemical_formula_sum "Mg128 Al96 V8"
_cell_length_a 36.0182802
_cell_length_b 9.004570050000002
_cell_length_c 18.00913918
_cell_angle_alpha 108.85703769
_cell_angle... |
SuperCellAction | e5f82ff0-1c9e-4792-9e7e-211e3c2ae22c | mp-1212246 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Ho10In8Pt4
_chemical_formula_sum "Ho10 In8 Pt4"
_cell_length_a 3.60929981
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_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 Ho10In8Pt4Ho10In8Pt4
_chemical_formula_sum "Ho20 In16 Pt8"
_cell_length_a 7.21859962
_cell_length_b 8.03796694
_cell_length_c 18.09545145
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | de9038b2-ec84-409e-8f12-7cb65c749405 | mp-1567262 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4Mn4Sb2O12
_chemical_formula_sum "Li4 Mn4 Sb2 O12"
_cell_length_a 5.35664327
_cell_length_b 10.29296225
_cell_length_c 5.35654319
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.52396316000001
_cell_angle_gamma 90.0107835499999... | data_image0
_chemical_formula_structural Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12Li4Mn4Sb2O12
_chemical_formula_sum "Li16 Mn16 Sb8 O48"
_cell_length_a 10.71328654
_cell_length_b 10.29296225
_cell_length_c 10.71308638
_cell_angle_alpha 90.01538012
_cell_angle_beta 117.523963160000... |
SuperCellAction | cf3a7ea0-83ce-46b4-b311-e27dd824db70 | mp-26157 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Li4Sb4P16O48
_chemical_formula_sum "Li4 Sb4 P16 O48"
_cell_length_a 9.35226
_cell_length_b 10.356422
_cell_length_c 12.580853009999998
_cell_angle_alpha 55.11360417
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48Li4Sb4P16O48
_chemical_formula_sum "Li24 Sb24 P96 O288"
_cell_length_a 18.70452
_cell_length_b 10.356422
_cell_length_c 37.742559029999995
_cell_angle_alpha 55.11360417
_cell_angl... |
SuperCellAction | 7cb30ec9-fa93-4b94-9c37-35db49750878 | mp-8876 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12Ca4Al6SO12
_chemical_formula_sum "Ca32 Al48 S8 O96"
_cell_length_a 15.75585652
_cell_length_b 31.51171304
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_... |
SuperCellAction | 7d8d6694-8358-43c9-81d1-703a04ff057c | mp-1276479 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Na2Ni10O12
_chemical_formula_sum "Na2 Ni10 O12"
_cell_length_a 5.18668659
_cell_length_b 5.186747049999999
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle_gamma 119.34237754000002
_s... | data_image0
_chemical_formula_structural Na2Ni10O12Na2Ni10O12Na2Ni10O12Na2Ni10O12
_chemical_formula_sum "Na8 Ni40 O48"
_cell_length_a 10.37337318
_cell_length_b 10.373494099999998
_cell_length_c 9.91314397
_cell_angle_alpha 94.55001394
_cell_angle_beta 94.54833658
_cell_angle... |
SuperCellAction | 616566d7-068b-413f-9ad4-3860d8359ad6 | mp-23662 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Li8B8H32O32
_chemical_formula_sum "Li8 B8 H32 O32"
_cell_length_a 7.844409
_cell_length_b 8.634831
_cell_length_c 9.266105
_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 Li8B8H32O32Li8B8H32O32Li8B8H32O32Li8B8H32O32Li8B8H32O32Li8B8H32O32
_chemical_formula_sum "Li48 B48 H192 O192"
_cell_length_a 23.533227
_cell_length_b 17.269662
_cell_length_c 9.266105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_... |
SuperCellAction | 99398ada-24ae-4dc0-8e01-b96da3ff60dc | mp-29127 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Bi2Te4Br8
_chemical_formula_sum "Bi2 Te4 Br8"
_cell_length_a 7.514459
_cell_length_b 8.04406023
_cell_length_c 9.36347189
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamma 94.76176305
_space_group_... | data_image0
_chemical_formula_structural Bi2Te4Br8Bi2Te4Br8Bi2Te4Br8Bi2Te4Br8
_chemical_formula_sum "Bi8 Te16 Br32"
_cell_length_a 7.514459
_cell_length_b 16.08812046
_cell_length_c 18.72694378
_cell_angle_alpha 91.57138378999998
_cell_angle_beta 102.75868788
_cell_angle_gamm... |
SuperCellAction | caed1744-ad6f-44e1-8e5e-4e1341cc8c1d | mp-1219592 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Sb8Cl2O11
_chemical_formula_sum "Sb8 Cl2 O11"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 11.47414414
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.9924929
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sb8Cl2O11Sb8Cl2O11Sb8Cl2O11Sb8Cl2O11
_chemical_formula_sum "Sb32 Cl8 O44"
_cell_length_a 4.215232
_cell_length_b 9.16309455
_cell_length_c 45.89657656
_cell_angle_alpha 82.3210295
_cell_angle_beta 86.84209477
_cell_angle_gamma 79.99... |
SuperCellAction | cd38fecb-9a77-4e75-9159-97ba9ee1b554 | mp-627632 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural Si16H8O36
_chemical_formula_sum "Si16 H8 O36"
_cell_length_a 7.61883303
_cell_length_b 7.618833030000001
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_angle_beta 76.02641733
_cell_angle_gamma 89.99807501000001
_spa... | data_image0
_chemical_formula_structural Si16H8O36Si16H8O36Si16H8O36Si16H8O36Si16H8O36Si16H8O36Si16H8O36Si16H8O36
_chemical_formula_sum "Si128 H64 O288"
_cell_length_a 30.47533212
_cell_length_b 15.237666060000002
_cell_length_c 15.73186293
_cell_angle_alpha 76.02641733
_cell_ang... |
SuperCellAction | de000909-bbef-4f60-bac6-9060027e5835 | mp-776484 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Li12Sn6P16O58
_chemical_formula_sum "Li12 Sn6 P16 O58"
_cell_length_a 9.887325
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma 60.373918750000016
_space... | data_image0
_chemical_formula_structural Li12Sn6P16O58Li12Sn6P16O58Li12Sn6P16O58
_chemical_formula_sum "Li36 Sn18 P48 O174"
_cell_length_a 29.661975
_cell_length_b 9.88784158
_cell_length_c 14.0550789
_cell_angle_alpha 89.408322
_cell_angle_beta 89.56631551
_cell_angle_gamma ... |
SuperCellAction | 79d8c7cc-2f9a-4b4e-9eb6-1b3c9ac2c256 | mp-1191019 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Er2Mn12P7
_chemical_formula_sum "Er2 Mn12 P7"
_cell_length_a 9.28351044
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Er2Mn12P7Er2Mn12P7
_chemical_formula_sum "Er4 Mn24 P14"
_cell_length_a 18.56702088
_cell_length_b 9.28351044
_cell_length_c 3.583117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000311
_space_group_name_H-M_... |
SuperCellAction | bb25bd3a-2f34-41cb-a118-0aca724840e9 | mp-1172905 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Ag3Bi3S6
_chemical_formula_sum "Ag6 Bi6 S12"
_cell_length_a 4.04844097
_cell_length_b 8.09688194
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt... |
SuperCellAction | 3c2d4b86-0659-43d2-95bc-767aeba122bc | mp-636519 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8
_chemical_formula_sum "Ni16 Rh32 O64"
_cell_length_a 11.93574244
_cell_length_b 24.59346028
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.0... |
SuperCellAction | a107c8b5-0783-470f-aca8-9843d61437d2 | mp-3606 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural Mn4Si4N8
_chemical_formula_sum "Mn4 Si4 N8"
_cell_length_a 5.1227
_cell_length_b 5.321698
_cell_length_c 6.531479
_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_I... | data_image0
_chemical_formula_structural Mn4Si4N8Mn4Si4N8Mn4Si4N8
_chemical_formula_sum "Mn12 Si12 N24"
_cell_length_a 5.1227
_cell_length_b 15.965093999999999
_cell_length_c 6.531479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 0f18315a-f4ca-4e38-a1e5-59193d018ba6 | mp-561286 | Create a supercell with the size 4*2*1. | data_image0
_chemical_formula_structural Zn20S20
_chemical_formula_sum "Zn20 S20"
_cell_length_a 3.80866991
_cell_length_b 3.8086698999999995
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999998999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20Zn20S20
_chemical_formula_sum "Zn160 S160"
_cell_length_a 15.23467964
_cell_length_b 7.617339799999999
_cell_length_c 62.26385349
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle... |
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