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 | b7d70271-0d29-4fa5-898a-6023262a6796 | mp-39647 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Na6Al4FeSi8O26
_chemical_formula_sum "Na6 Al4 Fe1 Si8 O26"
_cell_length_a 8.60414738
_cell_length_b 8.60414738
_cell_length_c 10.59008016
_cell_angle_alpha 68.95860384
_cell_angle_beta 68.95860384
_cell_angle_gamma 56.18613096
_spa... | data_image0
_chemical_formula_structural Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26Na6Al4FeSi8O26
_chemical_formula_sum "Na48 Al32 Fe8 Si64 O208"
_cell_length_a 8.60414738
_cell_length_b 17.20829476
_cell_length_c 42.36032064
_... |
SuperCellAction | 18405628-4ea4-45b8-bb57-906bd2fff2ab | mp-1193985 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6
_chemical_formula_sum "Ta12 Co126 B36"
_cell_length_a 22.26834816
_cell_length_b 7.42278272
_cell_length_c 14.84556544
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999... |
SuperCellAction | 9a68296c-8851-4be8-9c6f-aedf2d87f291 | mp-770417 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24
_chemical_formula_sum "Li4 Mn2 V1 Ni3 P6 O24"
_cell_length_a 8.47454817
_cell_length_b 8.82226272
_cell_length_c 8.80750627
_cell_angle_alpha 60.09155733000001
_cell_angle_beta 59.35909993
_cell_angle_gamma 59.477256... | data_image0
_chemical_formula_structural Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24Li4Mn2VNi3P6O24
_chemical_formula_sum "Li16 Mn8 V4 Ni12 P24 O96"
_cell_length_a 16.94909634
_cell_length_b 8.82226272
_cell_length_c 17.61501254
_cell_angle_alpha 60.09155733000001
_cell_angle_b... |
SuperCellAction | f5452262-e2b6-41a6-80ec-1aa9b4dd662a | mp-1037998 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Mg30AlCdO32
_chemical_formula_sum "Mg30 Al1 Cd1 O32"
_cell_length_a 8.577996
_cell_length_b 8.577996
_cell_length_c 8.569637
_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 Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32Mg30AlCdO32
_chemical_formula_sum "Mg120 Al4 Cd4 O128"
_cell_length_a 17.155992
_cell_length_b 17.155992
_cell_length_c 8.569637
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 47ae24c4-a7e8-4827-94af-4c5c234bba73 | mp-678 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural Mg54Ag17
_chemical_formula_sum "Mg54 Ag17"
_cell_length_a 12.44401349
_cell_length_b 12.4440135
_cell_length_c 12.4440135
_cell_angle_alpha 107.636966
_cell_angle_beta 110.18673898
_cell_angle_gamma 110.60566619
_space_group_name_H... | data_image0
_chemical_formula_structural Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17Mg54Ag17
_chemical_formula_sum "Mg324 Ag102"
_cell_length_a 12.44401349
_cell_length_b 37.332040500000005
_cell_length_c 24.888027
_cell_angle_alpha 107.63696599999999
_cell_angle_beta 110.186738... |
SuperCellAction | c84839b1-0cc8-4b3b-8bcc-1476aa7c1543 | mp-1213937 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24Cr10Cu2Ge4O24
_chemical_formula_sum "Cr40 Cu8 Ge16 O96"
_cell_length_a 9.61180683
_cell_length_b 38.44722732
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 3a7829ab-a3c6-4f93-8bc9-960d210bbd60 | mp-758795 | Create a supercell with the size 2*2*1. | 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 Li8Fe8Si12O36Li8Fe8Si12O36Li8Fe8Si12O36Li8Fe8Si12O36
_chemical_formula_sum "Li32 Fe32 Si48 O144"
_cell_length_a 14.64894
_cell_length_b 21.315404
_cell_length_c 12.39328977
_cell_angle_alpha 68.47111259
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 9fa3c0fc-6116-40e1-b293-0683862ba7bd | mp-555583 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Zn24S24
_chemical_formula_sum "Zn24 S24"
_cell_length_a 3.80915336
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Zn24S24Zn24S24Zn24S24
_chemical_formula_sum "Zn72 S72"
_cell_length_a 11.42746008
_cell_length_b 3.80915303
_cell_length_c 74.7500874
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000291
_space_group_name_H-M... |
SuperCellAction | 4400f47e-d544-458d-a5b2-e92c3d994602 | mp-1203661 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural K5Rb10Cr5F30
_chemical_formula_sum "K5 Rb10 Cr5 F30"
_cell_length_a 8.85048792
_cell_length_b 10.61210768
_cell_length_c 10.61210768
_cell_angle_alpha 79.98600918999999
_cell_angle_beta 65.35469727
_cell_angle_gamma 65.35469727
_sp... | data_image0
_chemical_formula_structural K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30K5Rb10Cr5F30
_chemical_formula_sum "K30 Rb60 Cr30 F180"
_cell_length_a 26.551463760000004
_cell_length_b 10.61210768
_cell_length_c 21.22421536
_cell_angle_alpha 79.98600918999999... |
SuperCellAction | 2ecf06a0-10ec-4c68-acec-9efb4bd64150 | mp-554453 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Cr12P12O42
_chemical_formula_sum "Cr12 P12 O42"
_cell_length_a 10.93144818
_cell_length_b 10.93144818
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell_angle_gamma 45.026736099999... | data_image0
_chemical_formula_structural Cr12P12O42Cr12P12O42Cr12P12O42Cr12P12O42
_chemical_formula_sum "Cr48 P48 O168"
_cell_length_a 10.93144818
_cell_length_b 43.72579272
_cell_length_c 9.27815383
_cell_angle_alpha 84.24817085999999
_cell_angle_beta 84.24817085999999
_cell... |
SuperCellAction | f6e0dee9-51ca-45f1-a306-b2a841c0be9c | mp-1095566 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2
_chemical_formula_sum "La16 Co64 B16"
_cell_length_a 5.12253573
_cell_length_b 10.24507146
_cell_length_c 27.335548
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 4f2e1f65-c243-489d-bd7e-1153144fed17 | mp-769018 | Create a supercell with the size 2 by 2 by 1. | 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 17.63486
_cell_length_b 17.059138
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 46bcf37b-0242-46e3-aaa0-6a1c6f1813fd | mp-1247260 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ga16Te12N8
_chemical_formula_sum "Ga16 Te12 N8"
_cell_length_a 6.373513
_cell_length_b 11.340364
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ga16Te12N8Ga16Te12N8Ga16Te12N8Ga16Te12N8
_chemical_formula_sum "Ga64 Te48 N32"
_cell_length_a 12.747026
_cell_length_b 22.680728
_cell_length_c 11.995175
_cell_angle_alpha 90.00001488
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 39471340-cf37-48b5-ba84-6e7d1a249696 | mp-1194093 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural H16PtC4N2Cl6
_chemical_formula_sum "H16 Pt1 C4 N2 Cl6"
_cell_length_a 7.357655
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 64.89099021
_space_group_na... | data_image0
_chemical_formula_structural H16PtC4N2Cl6H16PtC4N2Cl6H16PtC4N2Cl6
_chemical_formula_sum "H48 Pt3 C12 N6 Cl18"
_cell_length_a 22.072965
_cell_length_b 8.669492
_cell_length_c 8.669492
_cell_angle_alpha 73.89866996
_cell_angle_beta 64.89099021
_cell_angle_gamma 6... |
SuperCellAction | 1bef5030-b2d9-4150-9172-6ac863269925 | mp-23390 | Create a supercell with the size 1 by 1 by 4. | data_image0
_chemical_formula_structural Rb4Cd4Cl12
_chemical_formula_sum "Rb4 Cd4 Cl12"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 15.05258048
_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 Rb4Cd4Cl12Rb4Cd4Cl12Rb4Cd4Cl12Rb4Cd4Cl12
_chemical_formula_sum "Rb16 Cd16 Cl48"
_cell_length_a 4.05372776
_cell_length_b 9.04405641
_cell_length_c 60.21032192
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 6ddf5441-34ec-41e3-893a-1073d110b31c | mp-769928 | Create a supercell with the size 2*2*2. | data_image0
_chemical_formula_structural Li4NbV3O8
_chemical_formula_sum "Li4 Nb1 V3 O8"
_cell_length_a 10.57866778
_cell_length_b 10.59538098
_cell_length_c 14.99564377
_cell_angle_alpha 19.144615920000003
_cell_angle_beta 19.151666330000012
_cell_angle_gamma 33.044523140... | data_image0
_chemical_formula_structural Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8Li4NbV3O8
_chemical_formula_sum "Li32 Nb8 V24 O64"
_cell_length_a 21.15733556
_cell_length_b 21.19076196
_cell_length_c 29.99128754
_cell_angle_alpha 19.144615920000003
_cell_a... |
SuperCellAction | d4dc3e0f-41a1-4422-8bf2-de955d1c5d68 | mp-1027074 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2
_chemical_formula_sum "Te4 Mo2 W2 Se2 S2"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 38.813791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_space_group_n... | data_image0
_chemical_formula_structural Te4Mo2W2Se2S2Te4Mo2W2Se2S2
_chemical_formula_sum "Te8 Mo4 W4 Se4 S4"
_cell_length_a 3.39790831
_cell_length_b 3.3979083100000005
_cell_length_c 77.627582
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594
_... |
SuperCellAction | f10baa15-abbd-42bb-9b4e-0c55e6555ab4 | mp-30823 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Pu10Os6
_chemical_formula_sum "Pu10 Os6"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 8.23288286
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Pu10Os6Pu10Os6Pu10Os6Pu10Os6
_chemical_formula_sum "Pu40 Os24"
_cell_length_a 8.23288286
_cell_length_b 8.23288286
_cell_length_c 32.93153144
_cell_angle_alpha 96.50346547
_cell_angle_beta 96.50346547
_cell_angle_gamma 140.66682847
... |
SuperCellAction | 2b29d43c-6761-4a85-aa98-b4a798d07457 | mp-1853 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Sr6P28
_chemical_formula_sum "Sr6 P28"
_cell_length_a 6.36835152
_cell_length_b 9.92603614
_cell_length_c 12.8016994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.80179759
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28Sr6P28
_chemical_formula_sum "Sr48 P224"
_cell_length_a 6.36835152
_cell_length_b 39.70414456
_cell_length_c 25.6033988
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.8017... |
SuperCellAction | c6678a6f-5e7f-4412-99b0-9ab50fca6e7b | mp-636519 | Create a supercell with the size 1X4X1. | 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 Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8Ni2Rh4O8
_chemical_formula_sum "Ni8 Rh16 O32"
_cell_length_a 5.96787122
_cell_length_b 24.59346028
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.0... |
SuperCellAction | 98691cca-a96e-4a58-9f14-46ad6a46172c | mp-1217721 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Tb6Al8Fe4
_chemical_formula_sum "Tb6 Al8 Fe4"
_cell_length_a 5.41548454
_cell_length_b 5.42113991
_cell_length_c 13.43452047
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.20829155000001
_cell_angle_gamma 119.18295097
_space_gro... | data_image0
_chemical_formula_structural Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4Tb6Al8Fe4
_chemical_formula_sum "Tb36 Al48 Fe24"
_cell_length_a 16.246453619999997
_cell_length_b 5.42113991
_cell_length_c 26.86904094
_cell_angle_alpha 90.33912397
_cell_angle_beta 89.2082... |
SuperCellAction | 142c9eca-2d96-42a2-899b-6574226b4ea9 | mp-1016278 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Ba2Sr2Mg12
_chemical_formula_sum "Ba2 Sr2 Mg12"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 12.831551
_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 Ba2Sr2Mg12Ba2Sr2Mg12Ba2Sr2Mg12
_chemical_formula_sum "Ba6 Sr6 Mg36"
_cell_length_a 5.385899
_cell_length_b 7.274363
_cell_length_c 38.494653
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
SuperCellAction | bd9bb860-04fe-4cdc-be78-4d954dc324c6 | mp-627575 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural K4Zr6CBr18
_chemical_formula_sum "K4 Zr6 C1 Br18"
_cell_length_a 10.24659448
_cell_length_b 10.41837033
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cell_angle_beta 100.16129462
_cell_angle_gamma 103.98655482
_space_g... | data_image0
_chemical_formula_structural K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18K4Zr6CBr18
_chemical_formula_sum "K32 Zr48 C8 Br144"
_cell_length_a 20.49318896
_cell_length_b 41.67348132
_cell_length_c 10.51199309
_cell_angle_alpha 118.51662427
_cel... |
SuperCellAction | 4bfb0b04-9721-463a-8c43-7902f11d95d4 | mp-1045731 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca8 Sb8 As16 Se8 O56"
_cell_length_a 11.04231938
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta 65.41174568
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca32 Sb32 As64 Se32 O224"
_cell_length_a 44.16927752
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_... |
SuperCellAction | 76df2afe-29af-44e5-9b05-6a0d613e30c1 | mp-766011 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li3VCrP2H2O10
_chemical_formula_sum "Li3 V1 Cr1 P2 H2 O10"
_cell_length_a 5.22824342
_cell_length_b 5.576221759999999
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.69480763
_cell_angle_gamma 94.... | data_image0
_chemical_formula_structural Li3VCrP2H2O10Li3VCrP2H2O10Li3VCrP2H2O10
_chemical_formula_sum "Li9 V3 Cr3 P6 H6 O30"
_cell_length_a 5.22824342
_cell_length_b 16.728665279999998
_cell_length_c 7.56144685
_cell_angle_alpha 108.83346223000001
_cell_angle_beta 109.694807... |
SuperCellAction | 3ca10d5a-4a41-42d7-914b-5708e7338ea4 | mp-557500 | Create a supercell with the size 4x2x1. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6LiNiP2S6
_chemical_formula_sum "Li8 Ni8 P16 S48"
_cell_length_a 23.583357
_cell_length_b 11.7916785
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.415... |
SuperCellAction | cdd25891-93e6-41f4-987e-12fa58a525a2 | mp-2229628 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural MgCo4OF11
_chemical_formula_sum "Mg1 Co4 O1 F11"
_cell_length_a 7.35809105
_cell_length_b 5.22556949
_cell_length_c 5.55298967
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma 89.9231588
_space_group_nam... | data_image0
_chemical_formula_structural MgCo4OF11MgCo4OF11MgCo4OF11MgCo4OF11
_chemical_formula_sum "Mg4 Co16 O4 F44"
_cell_length_a 14.7161821
_cell_length_b 5.22556949
_cell_length_c 11.10597934
_cell_angle_alpha 89.62041699
_cell_angle_beta 94.15737183
_cell_angle_gamma ... |
SuperCellAction | 07cfeec2-1fee-474c-ab61-c8d9feb2df36 | mp-1213937 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24
_chemical_formula_sum "Cr10 Cu2 Ge4 O24"
_cell_length_a 9.61180683
_cell_length_b 9.61180683
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_space_group_name_... | data_image0
_chemical_formula_structural Cr10Cu2Ge4O24Cr10Cu2Ge4O24
_chemical_formula_sum "Cr20 Cu4 Ge8 O48"
_cell_length_a 9.61180683
_cell_length_b 19.22361366
_cell_length_c 6.050288
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 127.79372469000002
_spa... |
SuperCellAction | d548d327-d48c-49fc-8de7-2e7185ae1244 | mp-755986 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Li4Nb2Cr6O16
_chemical_formula_sum "Li4 Nb2 Cr6 O16"
_cell_length_a 6.0295925
_cell_length_b 6.05194869
_cell_length_c 10.40976803
_cell_angle_alpha 106.70751515
_cell_angle_beta 90.00068047
_cell_angle_gamma 60.12215707999999
_spa... | data_image0
_chemical_formula_structural Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16Li4Nb2Cr6O16
_chemical_formula_sum "Li32 Nb16 Cr48 O128"
_cell_length_a 6.0295925
_cell_length_b 24.20779476
_cell_length_c 20.81953606
_cell_angle_alpha 1... |
SuperCellAction | 0dd3546d-10ef-4a97-9bd5-3164f61d07c4 | mp-2223616 | Create a supercell with the size 2X2X1. | data_image0
_chemical_formula_structural MgCuH4O2F2
_chemical_formula_sum "Mg1 Cu1 H4 O2 F2"
_cell_length_a 3.24414608
_cell_length_b 6.20873788
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
_cell_angle_gamma 107.4292979... | data_image0
_chemical_formula_structural MgCuH4O2F2MgCuH4O2F2MgCuH4O2F2MgCuH4O2F2
_chemical_formula_sum "Mg4 Cu4 H16 O8 F8"
_cell_length_a 6.48829216
_cell_length_b 12.41747576
_cell_length_c 6.208736580000001
_cell_angle_alpha 93.90489924999999
_cell_angle_beta 107.42928971
... |
SuperCellAction | 38ed5457-a4d6-427a-8cfc-b8e3e9c7e349 | mp-1095566 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural La2Co8B2
_chemical_formula_sum "La2 Co8 B2"
_cell_length_a 5.12253573
_cell_length_b 5.12253573
_cell_length_c 6.833887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999656000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2La2Co8B2
_chemical_formula_sum "La16 Co64 B16"
_cell_length_a 10.24507146
_cell_length_b 10.24507146
_cell_length_c 13.667774
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 6d7095d8-d3a4-46b3-b972-bf8a48d6fb02 | mp-557006 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Na8Sb4S4O16F12
_chemical_formula_sum "Na8 Sb4 S4 O16 F12"
_cell_length_a 8.25681579
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 129.24259993
_space_group_name_... | data_image0
_chemical_formula_structural Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12
_chemical_formula_sum "Na64 Sb32 S32 O128 F96"
_cell_length_a 16.51363158
_cell_length_b 33.02726316
_cell_length_c 11.02966494
_... |
SuperCellAction | ca3e1387-5748-412e-999e-0c8be32c78d0 | mp-1233200 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8MgMn6O4F8MgMn6O4F8MgMn6O4F8MgMn6O4F8MgMn6O4F8
_chemical_formula_sum "Mg6 Mn36 O24 F48"
_cell_length_a 15.910223219999999
_cell_length_b 16.07500192
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38... |
SuperCellAction | 1ecdb835-4bbd-4cc4-82db-9629ea074346 | mp-1233358 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural CaV6O11F
_chemical_formula_sum "Ca1 V6 O11 F1"
_cell_length_a 4.61079484
_cell_length_b 4.734470019999999
_cell_length_c 10.72654479
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_cell_angle_gamma 87.87571552
_space_gr... | data_image0
_chemical_formula_structural CaV6O11FCaV6O11FCaV6O11FCaV6O11FCaV6O11FCaV6O11F
_chemical_formula_sum "Ca6 V36 O66 F6"
_cell_length_a 4.61079484
_cell_length_b 9.468940039999998
_cell_length_c 32.17963437
_cell_angle_alpha 90.32530835
_cell_angle_beta 79.88642504
_c... |
SuperCellAction | 9deba023-b4af-4560-8150-abc397238b34 | mp-1289597 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Mn4B4O12
_chemical_formula_sum "Mn4 B4 O12"
_cell_length_a 4.68409486
_cell_length_b 5.45749631
_cell_length_c 7.34317133
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185133
_cell_angle_gamma 87.58288049
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12Mn4B4O12
_chemical_formula_sum "Mn32 B32 O96"
_cell_length_a 4.68409486
_cell_length_b 10.91499262
_cell_length_c 29.37268532
_cell_angle_alpha 75.2461238
_cell_angle_beta 86.0185... |
SuperCellAction | c4a6f06e-0b92-46ac-92ea-f4f67f76591e | mp-17822 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24Dy8Mo4O24
_chemical_formula_sum "Dy64 Mo32 O192"
_cell_length_a 19.71460954
_cell_length_b 9.857304769999999
_cell_length_c 21.36455888
_cell_angle_alpha 74.85744461
_cell_angl... |
SuperCellAction | 0222ed81-010a-4d9b-8d5a-2b9c41220e06 | mp-1238837 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural B24H24
_chemical_formula_sum "B24 H24"
_cell_length_a 7.11935317
_cell_length_b 7.11935317
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_group_name... | data_image0
_chemical_formula_structural B24H24B24H24
_chemical_formula_sum "B48 H48"
_cell_length_a 7.11935317
_cell_length_b 14.23870634
_cell_length_c 10.82884391
_cell_angle_alpha 89.73188219
_cell_angle_beta 89.73188219
_cell_angle_gamma 117.91767792000002
_space_gro... |
SuperCellAction | c75e596a-4ed5-4575-902f-c3ad6fc7612c | mp-557589 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Tl4Zn4P12O36
_chemical_formula_sum "Tl4 Zn4 P12 O36"
_cell_length_a 5.225835
_cell_length_b 12.118744
_cell_length_c 13.154656
_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 Tl4Zn4P12O36Tl4Zn4P12O36Tl4Zn4P12O36Tl4Zn4P12O36
_chemical_formula_sum "Tl16 Zn16 P48 O144"
_cell_length_a 5.225835
_cell_length_b 24.237488
_cell_length_c 26.309312
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 45eb5cf1-f30d-4769-be61-60e2d930463a | mp-1236223 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural K4LiC2O6
_chemical_formula_sum "K4 Li1 C2 O6"
_cell_length_a 5.45322769
_cell_length_b 5.45322843
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000701000002
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural K4LiC2O6K4LiC2O6K4LiC2O6K4LiC2O6
_chemical_formula_sum "K16 Li4 C8 O24"
_cell_length_a 10.90645538
_cell_length_b 10.90645686
_cell_length_c 11.29581576
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000007010000... |
SuperCellAction | d5e573e2-a415-487f-b701-69dd3dd268c9 | mp-1209288 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Pr4Te4As4
_chemical_formula_sum "Pr4 Te4 As4"
_cell_length_a 4.16353513
_cell_length_b 7.82507677
_cell_length_c 10.30957707
_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 Pr4Te4As4Pr4Te4As4Pr4Te4As4
_chemical_formula_sum "Pr12 Te12 As12"
_cell_length_a 4.16353513
_cell_length_b 23.47523031
_cell_length_c 10.30957707
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 453ad51b-fada-4d90-8241-044ba7aab8e7 | mp-1232387 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Y8Mg4S16
_chemical_formula_sum "Y8 Mg4 S16"
_cell_length_a 7.962579
_cell_length_b 7.298803
_cell_length_c 11.468396
_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 Y8Mg4S16Y8Mg4S16
_chemical_formula_sum "Y16 Mg8 S32"
_cell_length_a 15.925158
_cell_length_b 7.298803
_cell_length_c 11.468396
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
SuperCellAction | 0386a4bb-c319-4122-bc93-be8cea78195d | mp-1205713 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Ba2YUO6
_chemical_formula_sum "Ba2 Y1 U1 O6"
_cell_length_a 6.2390294
_cell_length_b 6.2390294
_cell_length_c 6.2390294
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_sp... | data_image0
_chemical_formula_structural Ba2YUO6Ba2YUO6Ba2YUO6Ba2YUO6Ba2YUO6Ba2YUO6
_chemical_formula_sum "Ba12 Y6 U6 O36"
_cell_length_a 12.4780588
_cell_length_b 6.2390294
_cell_length_c 18.7170882
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_ce... |
SuperCellAction | c96222cd-6396-4f0c-a9b2-b944f1ddf261 | mp-780430 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural V2Fe4P6O24
_chemical_formula_sum "V2 Fe4 P6 O24"
_cell_length_a 8.43947482
_cell_length_b 8.43947482
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.69572487
_sp... | data_image0
_chemical_formula_structural V2Fe4P6O24V2Fe4P6O24
_chemical_formula_sum "V4 Fe8 P12 O48"
_cell_length_a 8.43947482
_cell_length_b 16.87894964
_cell_length_c 8.43947559
_cell_angle_alpha 61.69571962999999
_cell_angle_beta 61.69571962999999
_cell_angle_gamma 61.6... |
SuperCellAction | f5f2c1f9-1232-423f-bca8-a8272de5d288 | mp-1354855 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Ca6Ti12O24
_chemical_formula_sum "Ca6 Ti12 O24"
_cell_length_a 6.36776819
_cell_length_b 6.36776819
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma 58.024068789999994
_... | data_image0
_chemical_formula_structural Ca6Ti12O24Ca6Ti12O24Ca6Ti12O24
_chemical_formula_sum "Ca18 Ti36 O72"
_cell_length_a 6.36776819
_cell_length_b 19.10330457
_cell_length_c 15.235737000000002
_cell_angle_alpha 89.08057055
_cell_angle_beta 89.08057055
_cell_angle_gamma ... |
SuperCellAction | 3d891fb3-e176-46ee-a63c-22ef260c1b87 | mp-851096 | Create a supercell with the size 1*4*1. | data_image0
_chemical_formula_structural Li9Cr19O48
_chemical_formula_sum "Li9 Cr19 O48"
_cell_length_a 5.054054
_cell_length_b 10.18300069
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma 89.96698305000001
_space_gro... | data_image0
_chemical_formula_structural Li9Cr19O48Li9Cr19O48Li9Cr19O48Li9Cr19O48
_chemical_formula_sum "Li36 Cr76 O192"
_cell_length_a 5.054054
_cell_length_b 40.73200276
_cell_length_c 17.29302586
_cell_angle_alpha 89.99226151
_cell_angle_beta 89.82386839
_cell_angle_gamma ... |
SuperCellAction | a723dd24-35c0-4ca7-acc4-82d0bcadb9f6 | mp-756284 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12Li4Co4B4O12
_chemical_formula_sum "Li24 Co24 B24 O72"
_cell_length_a 9.34940727
_cell_length_b 9.157085840000002
_cell_length_c 18.76979994
_cell_angle_alpha 89.99324704
_cell_angle_be... |
SuperCellAction | c65b0f6c-fbe2-4f6d-9cc8-8bf7d4943570 | mp-1208177 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural U8Co2
_chemical_formula_sum "U8 Co2"
_cell_length_a 6.73577333
_cell_length_b 6.73577333
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_gr... | data_image0
_chemical_formula_structural U8Co2U8Co2U8Co2
_chemical_formula_sum "U24 Co6"
_cell_length_a 6.73577333
_cell_length_b 20.20731999
_cell_length_c 6.73577333
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
SuperCellAction | 5940d13c-1992-4b5f-beae-c54284cc6b60 | mp-1376600 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural V4S10
_chemical_formula_sum "V4 S10"
_cell_length_a 4.334212
_cell_length_b 6.511436
_cell_length_c 13.86584
_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 V4S10V4S10V4S10
_chemical_formula_sum "V12 S30"
_cell_length_a 4.334212
_cell_length_b 19.534308
_cell_length_c 13.86584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
SuperCellAction | 8b01e03a-d2a9-4ef7-b0b1-380e2689c0c4 | mp-1214069 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca2 Zr2 Si12 H4 O30"
_cell_length_a 10.05803507
_cell_length_b 10.05803507
_cell_length_c 7.91884337
_cell_angle_alpha 76.71994602
_cell_angle_beta 76.71994602
_cell_angle_gamma 90.455984140000... | data_image0
_chemical_formula_structural Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30Ca2Zr2Si12H4O30
_chemical_formula_sum "Ca16 Zr16 Si96 H32 O240"
_cell_length_a 10.05803507
_cell_length_b 20.11607014
_cell_length_c 31.6... |
SuperCellAction | 490399e0-cdf7-4f53-b214-2a933aa053a4 | mp-1221221 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Na6Zn6As6O32
_chemical_formula_sum "Na6 Zn6 As6 O32"
_cell_length_a 9.32843459
_cell_length_b 9.32843459
_cell_length_c 9.328435029999998
_cell_angle_alpha 90.54591677
_cell_angle_beta 90.54591677
_cell_angle_gamma 90.54591984
_spa... | data_image0
_chemical_formula_structural Na6Zn6As6O32Na6Zn6As6O32Na6Zn6As6O32Na6Zn6As6O32Na6Zn6As6O32Na6Zn6As6O32
_chemical_formula_sum "Na36 Zn36 As36 O192"
_cell_length_a 9.32843459
_cell_length_b 27.98530377
_cell_length_c 18.656870059999996
_cell_angle_alpha 90.54591677
_cell... |
SuperCellAction | 7f22158d-8473-478a-b948-bdd811a7a67f | mp-766386 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32
_chemical_formula_sum "Mn36 Fe12 P48 O192"
_cell_length_a 34.600185780000004
_cell_length_b 11.533395260000002
_cell_length_c 9.85780202
_cell_angle_alpha 89.99746044999999... |
SuperCellAction | bb90a2b2-e9f2-47a2-845a-e518ed7cc277 | mp-757370 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Ti5Fe11O24
_chemical_formula_sum "Ti5 Fe11 O24"
_cell_length_a 5.539158
_cell_length_b 9.14850058
_cell_length_c 9.16015664
_cell_angle_alpha 68.49942817
_cell_angle_beta 85.28037202000002
_cell_angle_gamma 85.01354387
_space_group... | data_image0
_chemical_formula_structural Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24Ti5Fe11O24
_chemical_formula_sum "Ti30 Fe66 O144"
_cell_length_a 16.617473999999998
_cell_length_b 9.14850058
_cell_length_c 18.32031328
_cell_angle_alpha 68.49942817
_cell_angle_beta 8... |
SuperCellAction | 04bb2c72-496f-4753-aaba-9867145d9715 | mp-1331651 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16
_chemical_formula_sum "Li4 Mn3 V3 Sb2 O16"
_cell_length_a 5.93637
_cell_length_b 6.06861172
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.93457476
_cell_angle_gamma 119.28604489
_space_gr... | data_image0
_chemical_formula_structural Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16Li4Mn3V3Sb2O16
_chemical_formula_sum "Li16 Mn12 V12 Sb8 O64"
_cell_length_a 11.87274
_cell_length_b 12.13722344
_cell_length_c 9.79082321
_cell_angle_alpha 91.6773613
_cell_angle_beta 89.934574... |
SuperCellAction | 3a6f1538-45ce-4706-a666-81ed869877fb | mp-542493 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Sc10Co8Si20
_chemical_formula_sum "Sc10 Co8 Si20"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 3.9187231999999996
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.99945552
_spa... | data_image0
_chemical_formula_structural Sc10Co8Si20Sc10Co8Si20
_chemical_formula_sum "Sc20 Co16 Si40"
_cell_length_a 11.95411681
_cell_length_b 11.95413612
_cell_length_c 7.837446399999999
_cell_angle_alpha 90.00000677
_cell_angle_beta 90.00000261
_cell_angle_gamma 89.999... |
SuperCellAction | 82b41e6a-31eb-407a-86dc-5329934288f8 | mp-1105068 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba8 Y8 Fe32 O56"
_cell_length_a 12.9498249
_cell_length_b 12.9498249
_cell_length_c 12.949824900000001
_cell_angle_alpha 121.45587253
_cell_angle_beta ... |
SuperCellAction | d896e6b9-0466-4a8a-b4bb-8d0c93e64210 | mp-568863 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8
_chemical_formula_sum "Li4 Eu8 C4 Br12 N8"
_cell_length_a 10.33667785
_cell_length_b 10.33667785
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural Li4Eu8C4Br12N8Li4Eu8C4Br12N8Li4Eu8C4Br12N8Li4Eu8C4Br12N8
_chemical_formula_sum "Li16 Eu32 C16 Br48 N32"
_cell_length_a 20.6733557
_cell_length_b 20.6733557
_cell_length_c 10.33667785
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | a7d3bda9-d0c5-433d-9de8-89c77f228329 | mp-849289 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Na36Co12O36
_chemical_formula_sum "Na36 Co12 O36"
_cell_length_a 8.2560515
_cell_length_b 8.2560515
_cell_length_c 16.348313
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 96.78153075
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36Na36Co12O36
_chemical_formula_sum "Na216 Co72 O216"
_cell_length_a 24.7681545
_cell_length_b 8.2560515
_cell_length_c 32.696626
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | 185cdd40-fb95-4069-9dc7-eb2cce80161c | mp-1190379 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Ca4Se4O16
_chemical_formula_sum "Ca4 Se4 O16"
_cell_length_a 6.39656071
_cell_length_b 7.21233983
_cell_length_c 8.05958306
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Ca4Se4O16Ca4Se4O16Ca4Se4O16Ca4Se4O16
_chemical_formula_sum "Ca16 Se16 O64"
_cell_length_a 6.39656071
_cell_length_b 14.42467966
_cell_length_c 16.11916612
_cell_angle_alpha 116.56152868000001
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 9316c629-3cea-48b6-bd81-90b1f3e22999 | mp-1234352 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural MgAg20Bi4O16
_chemical_formula_sum "Mg1 Ag20 Bi4 O16"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 13.50375975
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma 85.797892... | data_image0
_chemical_formula_structural MgAg20Bi4O16MgAg20Bi4O16
_chemical_formula_sum "Mg2 Ag40 Bi8 O32"
_cell_length_a 6.09014315
_cell_length_b 8.998793890000002
_cell_length_c 27.0075195
_cell_angle_alpha 84.87861307999998
_cell_angle_beta 86.06348324
_cell_angle_gamma ... |
SuperCellAction | 8ebeb13a-a53e-4773-95a7-d7f16644d7d6 | mp-558119 | Create a supercell with the size 1X1X4. | 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 Lu16Mo16O44Lu16Mo16O44Lu16Mo16O44Lu16Mo16O44
_chemical_formula_sum "Lu64 Mo64 O176"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 63.45028604
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | 40e2f7e0-b4b3-4ae2-b07e-b6718c83cdd5 | mp-1388601 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural Tl4Se2O8
_chemical_formula_sum "Tl4 Se2 O8"
_cell_length_a 6.09941271
_cell_length_b 6.09941271
_cell_length_c 8.26682876
_cell_angle_alpha 90.01266462999999
_cell_angle_beta 90.01266462999999
_cell_angle_gamma 116.04875848
_space_... | data_image0
_chemical_formula_structural Tl4Se2O8Tl4Se2O8Tl4Se2O8Tl4Se2O8Tl4Se2O8Tl4Se2O8Tl4Se2O8Tl4Se2O8
_chemical_formula_sum "Tl32 Se16 O64"
_cell_length_a 12.19882542
_cell_length_b 12.19882542
_cell_length_c 16.53365752
_cell_angle_alpha 90.01266462999999
_cell_angle_beta ... |
SuperCellAction | b5d04bf5-d585-4169-825f-cdb3c615a2f2 | mp-1246769 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8
_chemical_formula_sum "Mg2 Mn2 Mo2 S8"
_cell_length_a 7.4375125
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.78895210999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Mg2Mn2Mo2S8Mg2Mn2Mo2S8Mg2Mn2Mo2S8
_chemical_formula_sum "Mg6 Mn6 Mo6 S24"
_cell_length_a 22.3125375
_cell_length_b 7.394863889999999
_cell_length_c 7.395764609999999
_cell_angle_alpha 59.228086969999985
_cell_angle_beta 59.788952109999... |
SuperCellAction | 73a28669-30b8-44b0-a9a8-73cad1362848 | mp-1193804 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Pr12Ga8Ni8
_chemical_formula_sum "Pr12 Ga8 Ni8"
_cell_length_a 5.809571
_cell_length_b 8.312716
_cell_length_c 12.825664
_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 Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8Pr12Ga8Ni8
_chemical_formula_sum "Pr48 Ga32 Ni32"
_cell_length_a 23.238284
_cell_length_b 8.312716
_cell_length_c 12.825664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 42a128a9-ac79-42c9-bd8e-8a9de35b1f9f | mp-1176004 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.072383
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
_cell_angle_gamma 105.09156994
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li36 Mn8 Co20 O64"
_cell_length_a 20.289532
_cell_length_b 5.895834739999999
_cell_length_c 10.01012744
_cell_angle_alpha 91.76363245
_cell_angle_beta 99.42135843
... |
SuperCellAction | 10c0d735-c8c3-46a7-a339-53785c99cb8c | mp-1205001 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Os8Xe4O24F40
_chemical_formula_sum "Os8 Xe4 O24 F40"
_cell_length_a 7.84387
_cell_length_b 11.837705
_cell_length_c 13.171691
_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 Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40Os8Xe4O24F40
_chemical_formula_sum "Os48 Xe24 O144 F240"
_cell_length_a 15.68774
_cell_length_b 35.513115
_cell_length_c 13.171691
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | d9c3fe3f-2a52-4a9d-92e3-5bfe5abc7943 | mp-1521867 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural KBaNdWO6
_chemical_formula_sum "K1 Ba1 Nd1 W1 O6"
_cell_length_a 6.09260701
_cell_length_b 6.09260701
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6KBaNdWO6
_chemical_formula_sum "K8 Ba8 Nd8 W8 O48"
_cell_length_a 24.37042804
_cell_length_b 12.18521402
_cell_length_c 6.09260701
_cell_angle_alpha 59.999999999999986
_cell_angle_bet... |
SuperCellAction | 764be978-1baf-496a-bb9f-127d822aa5a1 | mp-1041713 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural AlCrW2O8
_chemical_formula_sum "Al1 Cr1 W2 O8"
_cell_length_a 5.02399
_cell_length_b 5.79633251
_cell_length_c 6.65503974
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angle_gamma 71.44120456
_space_group_name_H-... | data_image0
_chemical_formula_structural AlCrW2O8AlCrW2O8AlCrW2O8AlCrW2O8AlCrW2O8AlCrW2O8
_chemical_formula_sum "Al6 Cr6 W12 O48"
_cell_length_a 15.07197
_cell_length_b 5.79633251
_cell_length_c 13.31007948
_cell_angle_alpha 65.45539295
_cell_angle_beta 80.58051975
_cell_angl... |
SuperCellAction | 4144b683-260d-4987-a4ed-902e8b7bc2af | mp-1191389 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16Pr4V4O16
_chemical_formula_sum "Pr8 V8 O32"
_cell_length_a 6.66898717
_cell_length_b 13.977153040000001
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_... |
SuperCellAction | 1290cc04-7a13-46b3-83a8-2fbbb2bf441a | mp-766954 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 6.768927
_cell_length_b 7.313568
_cell_length_c 7.63146704
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4V4F20Li4V4F20Li4V4F20Li4V4F20Li4V4F20Li4V4F20
_chemical_formula_sum "Li24 V24 F120"
_cell_length_a 20.306781
_cell_length_b 7.313568
_cell_length_c 15.26293408
_cell_angle_alpha 89.12887012
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 30959026-b035-4b39-9529-f08573adccd7 | mp-1191029 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Pr4C4O16
_chemical_formula_sum "Pr4 C4 O16"
_cell_length_a 5.00660164
_cell_length_b 7.44045528
_cell_length_c 8.17906329
_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 Pr4C4O16Pr4C4O16Pr4C4O16Pr4C4O16Pr4C4O16Pr4C4O16Pr4C4O16Pr4C4O16
_chemical_formula_sum "Pr32 C32 O128"
_cell_length_a 10.01320328
_cell_length_b 29.76182112
_cell_length_c 8.17906329
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_a... |
SuperCellAction | a7caf71f-035f-4b20-8d6d-0db2c255aea5 | mp-699405 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca6 Mg5 Al2 Si11 O36"
_cell_length_a 6.650531
_cell_length_b 6.654762510000001
_cell_length_c 15.97132531
_cell_angle_alpha 78.01366495
_cell_angle_beta 78.21072673
_cell_angle_gamma 84.428660... | data_image0
_chemical_formula_structural Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36Ca6Mg5Al2Si11O36
_chemical_formula_sum "Ca48 Mg40 Al16 Si88 O288"
_cell_length_a 6.650531
_cell_length_b 26.619050040000005
_cell_length... |
SuperCellAction | 10ecbae2-b3da-431e-9df0-59c209adbdef | mp-1079659 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ta2B4Mo4
_chemical_formula_sum "Ta2 B4 Mo4"
_cell_length_a 6.126533
_cell_length_b 6.126533
_cell_length_c 3.192332
_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 Ta2B4Mo4Ta2B4Mo4Ta2B4Mo4Ta2B4Mo4
_chemical_formula_sum "Ta8 B16 Mo16"
_cell_length_a 6.126533
_cell_length_b 12.253066
_cell_length_c 6.384664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 1088ac85-2baf-4915-aac7-42ca3d1353fd | mp-1193985 | Create a supercell with the size 2×3×1. | data_image0
_chemical_formula_structural Ta2Co21B6
_chemical_formula_sum "Ta2 Co21 B6"
_cell_length_a 7.42278272
_cell_length_b 7.42278272
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6
_chemical_formula_sum "Ta12 Co126 B36"
_cell_length_a 14.84556544
_cell_length_b 22.268348160000002
_cell_length_c 7.42278272
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 5... |
SuperCellAction | 44c01002-537f-46cb-812c-3ef1a287590e | mp-1043418 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Co8O12
_chemical_formula_sum "Co8 O12"
_cell_length_a 5.15061024
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Co8O12Co8O12
_chemical_formula_sum "Co16 O24"
_cell_length_a 10.30122048
_cell_length_b 5.150610239999999
_cell_length_c 15.216366
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 145.9219317
_space_group_name_H-M_alt... |
SuperCellAction | 6fd62b46-c855-4d6a-86c2-6fd2f68ab5e1 | mp-1095216 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Nd2As2O8
_chemical_formula_sum "Nd2 As2 O8"
_cell_length_a 6.84642559
_cell_length_b 6.84641035
_cell_length_c 6.846420990000001
_cell_angle_alpha 136.03322193000002
_cell_angle_beta 136.03328191999998
_cell_angle_gamma 63.928960810... | data_image0
_chemical_formula_structural Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8Nd2As2O8
_chemical_formula_sum "Nd16 As16 O64"
_cell_length_a 27.38570236
_cell_length_b 6.84641035
_cell_length_c 13.692841980000003
_cell_angle_alpha 136.03322193000002
_cell_angle_... |
SuperCellAction | 50904068-333c-4a58-ad28-6e8ac6a5b322 | mp-1046171 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32
_chemical_formula_sum "Ca8 Ta8 Cr4 O32"
_cell_length_a 5.4333689
_cell_length_b 10.393578229999997
_cell_length_c 13.114036659999998
_cell_angle_alpha 112.36772498
_cell_angle_beta 88.06335802
_cell_angle_gamma 92.69853... | data_image0
_chemical_formula_structural Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32Ca8Ta8Cr4O32
_chemical_formula_sum "Ca64 Ta64 Cr32 O256"
_cell_length_a 10.8667378
_cell_length_b 41.57431291999999
_cell_length_c 13.114036659999998
_cell_an... |
SuperCellAction | b04d7464-f33a-4841-8e79-7c88fb016a62 | mp-28950 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural P8N12O2
_chemical_formula_sum "P8 N12 O2"
_cell_length_a 6.10342947
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_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 P8N12O2P8N12O2
_chemical_formula_sum "P16 N24 O4"
_cell_length_a 12.20685894
_cell_length_b 6.82329096
_cell_length_c 6.83991406
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | 7580fb6c-58b0-410e-bce0-a93ebf49190b | mp-849387 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 3.19079291
_cell_length_b 13.70274985
_cell_length_c 4.57558502
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell_angle_gamma 90.962296
_space_gro... | data_image0
_chemical_formula_structural Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11Cu6OF11
_chemical_formula_sum "Cu36 O6 F66"
_cell_length_a 6.38158582
_cell_length_b 13.70274985
_cell_length_c 13.72675506
_cell_angle_alpha 91.14804451000002
_cell_angle_beta 84.64664774000002
_cell... |
SuperCellAction | 8b1115bf-5d1a-4f0a-8970-25a09ae6116e | mp-1386638 | Create a supercell with the size 1 by 1 by 3. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Na5Cu3P4O16Na5Cu3P4O16
_chemical_formula_sum "Na15 Cu9 P12 O48"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 27.578576490000003
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angl... |
SuperCellAction | cf98ef6a-dabe-4031-b126-c59129afa5f8 | mp-1112428 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6K2EuAuCl6
_chemical_formula_sum "K12 Eu6 Au6 Cl36"
_cell_length_a 15.263062
_cell_length_b 7.6315315
_cell_length_c 22.89459363
_cell_angle_alpha 59.99999978999999
_cell_angle_beta 59.999996... |
SuperCellAction | 76383575-28d5-4b86-8761-cfe259618b6f | mp-1026680 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural NaMg14Cr
_chemical_formula_sum "Na1 Mg14 Cr1"
_cell_length_a 6.37615542
_cell_length_b 6.41169348
_cell_length_c 10.25765607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.18455006
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural NaMg14CrNaMg14CrNaMg14CrNaMg14CrNaMg14CrNaMg14Cr
_chemical_formula_sum "Na6 Mg84 Cr6"
_cell_length_a 12.75231084
_cell_length_b 6.41169348
_cell_length_c 30.77296821
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120... |
SuperCellAction | 28865ad0-0d42-4938-a3cb-65032024403e | mp-732227 | Create a supercell with the size 3*1*1. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8
_chemical_formula_sum "Sb12 As12 N12 O48 F24"
_cell_length_a 25.811118
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 9... |
SuperCellAction | d9366c34-4be3-4c85-9d3b-0e04a996ec7f | mp-1034797 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural RbNaMg14O15
_chemical_formula_sum "Rb1 Na1 Mg14 O15"
_cell_length_a 4.212568
_cell_length_b 8.376669
_cell_length_c 10.410615
_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 RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15RbNaMg14O15
_chemical_formula_sum "Rb8 Na8 Mg112 O120"
_cell_length_a 4.212568
_cell_length_b 33.506676
_cell_length_c 20.82123
_cell_angle_alpha 90.0
_cell_angle... |
SuperCellAction | 0ca64ab8-cc9a-49c1-94eb-a0f62da52714 | mp-1101792 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural Eu4Mg8
_chemical_formula_sum "Eu4 Mg8"
_cell_length_a 6.31314516
_cell_length_b 6.31314516
_cell_length_c 10.20866907
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_gamma 120.00021131
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Eu4Mg8Eu4Mg8Eu4Mg8Eu4Mg8Eu4Mg8Eu4Mg8Eu4Mg8Eu4Mg8
_chemical_formula_sum "Eu32 Mg64"
_cell_length_a 12.62629032
_cell_length_b 12.62629032
_cell_length_c 20.41733814
_cell_angle_alpha 89.99999702
_cell_angle_beta 89.99999702
_cell_angle_... |
SuperCellAction | 8c23d35a-6f1e-4433-98b0-8ee53e714fcf | mp-1195405 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ho4Mn4Cu16P12
_chemical_formula_sum "Ho4 Mn4 Cu16 P12"
_cell_length_a 3.771811
_cell_length_b 10.83911
_cell_length_c 12.524323
_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 Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12Ho4Mn4Cu16P12
_chemical_formula_sum "Ho32 Mn32 Cu128 P96"
_cell_length_a 15.087244
_cell_length_b 10.83911
_cell_length_c 25.048646
_cell_angle_alpha ... |
SuperCellAction | 991e1eb5-7404-4013-9712-eec1596a6526 | mp-767412 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Li3Co4S8
_chemical_formula_sum "Li3 Co4 S8"
_cell_length_a 7.37482279
_cell_length_b 7.37482279
_cell_length_c 7.374822710000001
_cell_angle_alpha 54.60455602
_cell_angle_beta 54.60455602
_cell_angle_gamma 54.60456056
_space_group_... | data_image0
_chemical_formula_structural Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8Li3Co4S8
_chemical_formula_sum "Li24 Co32 S64"
_cell_length_a 7.37482279
_cell_length_b 14.74964558
_cell_length_c 29.499290840000004
_cell_angle_alpha 54.60455602
_cell_angle_beta ... |
SuperCellAction | 44943d32-80ec-4f4d-9e57-bc3585cf07ac | mp-1208738 | Create a supercell with the size 2×1×3. | data_image0
_chemical_formula_structural Tb12Ni6Pb
_chemical_formula_sum "Tb12 Ni6 Pb1"
_cell_length_a 8.41719034
_cell_length_b 8.41719034
_cell_length_c 8.41719034
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_n... | data_image0
_chemical_formula_structural Tb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6PbTb12Ni6Pb
_chemical_formula_sum "Tb72 Ni36 Pb6"
_cell_length_a 16.83438068
_cell_length_b 8.41719034
_cell_length_c 25.25157102
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_... |
SuperCellAction | 37106af5-4e40-4096-a451-067850a37ab0 | mp-1080201 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural Re12N16
_chemical_formula_sum "Re12 N16"
_cell_length_a 5.274998
_cell_length_b 5.873241
_cell_length_c 10.053127
_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 Re12N16Re12N16
_chemical_formula_sum "Re24 N32"
_cell_length_a 5.274998
_cell_length_b 11.746482
_cell_length_c 10.053127
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
SuperCellAction | 9466d638-af35-4cdd-96b9-436724f4745b | mp-1228475 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28
_chemical_formula_sum "Ba60 Mn12 Co48 O168"
_cell_length_a 17.369787
_cell_length_b 10.016607
_cell_length_c 24.1793662
_cell_angle_alpha 89.94737559
_cell_angl... |
SuperCellAction | d57a221e-6923-48e3-80e4-3dffdc5d5b4c | mp-25284 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12Li2Mn4Ni2O12
_chemical_formula_sum "Li12 Mn24 Ni12 O72"
_cell_length_a 5.04900018
_cell_length_b 15.14719572
_cell_length_c 20.84714732
_cell_angle_alpha 86.33280131
_cell_angle_b... |
SuperCellAction | a233b20b-78d4-41f4-830e-34e1435cc4f9 | mp-2233356 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural MgCu2AgS2O10
_chemical_formula_sum "Mg1 Cu2 Ag1 S2 O10"
_cell_length_a 5.89393351
_cell_length_b 5.8879384
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle_beta 101.12880505
_cell_angle_gamma 114.72312795000002
... | data_image0
_chemical_formula_structural MgCu2AgS2O10MgCu2AgS2O10MgCu2AgS2O10MgCu2AgS2O10MgCu2AgS2O10MgCu2AgS2O10
_chemical_formula_sum "Mg6 Cu12 Ag6 S12 O60"
_cell_length_a 17.68180053
_cell_length_b 11.7758768
_cell_length_c 7.52324581
_cell_angle_alpha 105.49813425
_cell_angle... |
SuperCellAction | ab5d5924-2d7f-4297-abd4-9f6d6c3ba1d8 | mp-1204342 | Create a supercell with the size 1×4×1. | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32
_chemical_formula_sum "Ca8 B12 H16 Cl4 O32"
_cell_length_a 7.22859361
_cell_length_b 7.93274174
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32Ca8B12H16Cl4O32
_chemical_formula_sum "Ca32 B48 H64 Cl16 O128"
_cell_length_a 7.22859361
_cell_length_b 31.73096696
_cell_length_c 12.556271389999997
_cell_angle_alpha 86.44647157
_cell_angle_be... |
SuperCellAction | 1b826747-6164-4848-83cd-6a88ef0e425d | mp-1178408 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Cs8Hf4O12
_chemical_formula_sum "Cs8 Hf4 O12"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 14.537729
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs8Hf4O12Cs8Hf4O12
_chemical_formula_sum "Cs16 Hf8 O24"
_cell_length_a 6.508997
_cell_length_b 7.293960569999999
_cell_length_c 29.075458
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.4995589
_space_group_name_... |
SuperCellAction | 6c2d187a-5486-4fc6-9230-e08df424d7d2 | mp-732227 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Sb4As4N4O16F8
_chemical_formula_sum "Sb4 As4 N4 O16 F8"
_cell_length_a 8.603706
_cell_length_b 7.63962
_cell_length_c 11.15992613
_cell_angle_alpha 86.14938772
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8Sb4As4N4O16F8
_chemical_formula_sum "Sb32 As32 N32 O128 F64"
_cell_length_a 34.414824
_cell_length_b 15.27924
_cell_length_c 11.15992613
_cell_angle_al... |
SuperCellAction | be31bf92-9968-40f3-9919-96f2f618cd27 | mp-1204213 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural Tb4Nb4S14O60
_chemical_formula_sum "Tb4 Nb4 S14 O60"
_cell_length_a 12.855284
_cell_length_b 12.855284
_cell_length_c 7.155806
_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 Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60Tb4Nb4S14O60
_chemical_formula_sum "Tb32 Nb32 S112 O480"
_cell_length_a 25.710568
_cell_length_b 25.710568
_cell_length_c 14.311612
_cell_angle_alpha 90.0
... |
SuperCellAction | 5160b291-f334-41ea-9ca8-f8923aabb3fe | mp-1047596 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Zn4Bi8O16
_chemical_formula_sum "Zn4 Bi8 O16"
_cell_length_a 3.400661
_cell_length_b 10.694829
_cell_length_c 11.478749
_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 Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16Zn4Bi8O16
_chemical_formula_sum "Zn32 Bi64 O128"
_cell_length_a 3.400661
_cell_length_b 42.779316
_cell_length_c 22.957498
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 6709c3a3-8c30-429f-aaa8-8f008f0fd011 | mp-850196 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Li3V4O11F
_chemical_formula_sum "Li3 V4 O11 F1"
_cell_length_a 4.99065
_cell_length_b 4.99140947
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta 97.97861366
_cell_angle_gamma 117.46732342
_space_group_name... | data_image0
_chemical_formula_structural Li3V4O11FLi3V4O11FLi3V4O11FLi3V4O11FLi3V4O11FLi3V4O11FLi3V4O11FLi3V4O11F
_chemical_formula_sum "Li24 V32 O88 F8"
_cell_length_a 9.9813
_cell_length_b 19.96563788
_cell_length_c 10.01822276
_cell_angle_alpha 90.50587362
_cell_angle_beta ... |
SuperCellAction | 687bf288-989c-4749-9d32-fc294291aab9 | mp-2217302 | Create a supercell with the size 2 by 1 by 1. | 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 Ba2MgNi2O6Ba2MgNi2O6
_chemical_formula_sum "Ba4 Mg2 Ni4 O12"
_cell_length_a 11.53939
_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-... |
SuperCellAction | a849753d-16a8-4b4b-bd0e-2f281018b3b1 | mp-1111109 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural K2LiNbF6
_chemical_formula_sum "K2 Li1 Nb1 F6"
_cell_length_a 5.9279406
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_s... | data_image0
_chemical_formula_structural K2LiNbF6K2LiNbF6
_chemical_formula_sum "K4 Li2 Nb2 F12"
_cell_length_a 11.8558812
_cell_length_b 5.9279406
_cell_length_c 5.9279406
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
SuperCellAction | 2b88b434-b717-4507-b0da-ed97030be419 | mp-1019897 | Create a supercell with the size 4*1*1. | data_image0
_chemical_formula_structural La4N4O16
_chemical_formula_sum "La4 N4 O16"
_cell_length_a 5.63928
_cell_length_b 7.303537
_cell_length_c 9.578525
_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 La4N4O16La4N4O16La4N4O16La4N4O16
_chemical_formula_sum "La16 N16 O64"
_cell_length_a 22.55712
_cell_length_b 7.303537
_cell_length_c 9.578525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
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