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 | fbf14569-27a8-44d7-9c94-ecd680e2f249 | mp-556409 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20Ba7Ca2Mn5O20
_chemical_formula_sum "Ba42 Ca12 Mn30 O120"
_cell_length_a 17.75532635
_cell_length_b 35.5106527
_cell_length_c 53.26597863
_cell_angle_alpha 19.146729830000023
_cell... |
SuperCellAction | d7e6cecb-c00c-4250-85c4-d45936eb8315 | mp-1221261 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24Na3CaSc3ZnSi8O24Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na9 Ca3 Sc9 Zn3 Si24 O72"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 29.5800372
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle... |
SuperCellAction | cc734ab5-7bc8-42f3-9e6b-fded32b726ee | mp-15203 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6Li12Ca24W8N32O6
_chemical_formula_sum "Li48 Ca96 W32 N128 O24"
_cell_length_a 11.40762068
_cell_length_b 45.63048156000001
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_ang... |
SuperCellAction | 49be7f10-2e4f-47bb-83d8-68444d72b30d | mp-1205925 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_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 Sm4In2Au4Sm4In2Au4Sm4In2Au4Sm4In2Au4
_chemical_formula_sum "Sm16 In8 Au16"
_cell_length_a 16.05822712
_cell_length_b 8.02911356
_cell_length_c 7.60637938
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 917d7faf-96f0-4a42-ba96-718c1ab50217 | mp-27653 | Create a supercell with the size 1×2×4. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al4H16Li4Al4H16Li4Al4H16Li4Al4H16Li4Al4H16Li4Al4H16Li4Al4H16Li4Al4H16
_chemical_formula_sum "Li32 Al32 H128"
_cell_length_a 7.8247
_cell_length_b 9.723818
_cell_length_c 31.48018724
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.... |
SuperCellAction | 110c81dd-7cf7-4d1a-b2be-1672d36db2cd | mp-557634 | Create a supercell with the size 1X2X1. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24Na2V6P6O24
_chemical_formula_sum "Na4 V12 P12 O48"
_cell_length_a 9.16078611
_cell_length_b 18.32157222
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
... |
SuperCellAction | 739e5984-26a6-40e7-9b93-7c9f72506364 | mp-556517 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K8Pb4O8K8Pb4O8K8Pb4O8K8Pb4O8
_chemical_formula_sum "K32 Pb16 O32"
_cell_length_a 7.32732357
_cell_length_b 15.02189394
_cell_length_c 19.95194036
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.170319... |
SuperCellAction | 5f441b62-33ee-4860-ac4f-334429aba2f0 | mp-1239078 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_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 Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8Ho8Bi16C8
_chemical_formula_sum "Ho64 Bi128 C64"
_cell_length_a 42.917768
_cell_length_b 10.729442
_cell_length_c 14.290974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | 1ea0416c-dcbf-487e-bdd1-e05c5a6cc91c | mp-1105068 | Create a supercell with the size 1 by 3 by 1. | 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 BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba3 Y3 Fe12 O21"
_cell_length_a 6.47491245
_cell_length_b 19.424737349999997
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamm... |
SuperCellAction | 257d49cd-0503-48bd-9970-17b3515a0ade | mp-857354 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24LiSn3SbP6O24
_chemical_formula_sum "Li8 Sn24 Sb8 P48 O192"
_cell_length_a 35.90414332
_cell_length_b 8.97603583
_cell_length_c 17.9520717
_cell_angle_alpha ... |
SuperCellAction | 0fd65625-37d5-4bd5-8b1b-ec58381ee035 | mp-705680 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18La4Mo4O18La4Mo4O18La4Mo4O18La4Mo4O18La4Mo4O18
_chemical_formula_sum "La24 Mo24 O108"
_cell_length_a 21.812865
_cell_length_b 7.289629140000001
_cell_length_c 14.6987903
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.3548131... |
SuperCellAction | 3b7776f3-8d50-429b-9232-739f4c8bbea9 | mp-766004 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24Li8V4C8O24Li8V4C8O24Li8V4C8O24
_chemical_formula_sum "Li32 V16 C32 O96"
_cell_length_a 9.808158
_cell_length_b 26.0814204
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cel... |
SuperCellAction | a525839a-687f-40e1-b4a8-5d162e28cb5b | mp-1228545 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba8 Sr8 Y8 Cu24 O52"
_cell_length_a 12.40091246
_cell_length_b 24.74549482
_cell_length_c 10.93835668
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.9583... |
SuperCellAction | 8976dac9-c366-4e61-83ca-994a70da3d1b | mp-1201281 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_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 Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28
_chemical_formula_sum "Cs12 Np12 Mo12 O84"
_cell_length_a 24.596928
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 699eb835-9d75-4092-81bd-e45a5726a57c | mp-14485 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38La2Ta14O38La2Ta14O38
_chemical_formula_sum "La6 Ta42 O114"
_cell_length_a 6.25040787
_cell_length_b 18.751224
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 1... |
SuperCellAction | 42fcf42b-bf80-46f1-8535-dfed439f498c | mp-696189 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural Tl2H12N6O24Tl2H12N6O24Tl2H12N6O24
_chemical_formula_sum "Tl6 H36 N18 O72"
_cell_length_a 23.64586755
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_ang... |
SuperCellAction | 17918ffe-a3fa-41a1-b9c6-da65572295c1 | mp-1217387 | Create a supercell with the size 2×1×2. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_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 U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4U2Ge4Rh4
_chemical_formula_sum "U8 Ge16 Rh16"
_cell_length_a 10.062812
_cell_length_b 5.031406
_cell_length_c 15.225868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | c3368f22-9200-4ede-8b1b-248313ed6b4b | mp-1103193 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4Eu4Al4Au4
_chemical_formula_sum "Eu32 Al32 Au32"
_cell_length_a 9.24930428
_cell_length_b 7.53465221
_cell_length_c 30.845511
_cell_angle_alpha 90.00196137
_cell_angle_beta ... |
SuperCellAction | 37d7baf2-d0df-4e55-a2f5-d68aff5cf64a | mp-1229180 | Create a supercell with the size 1X3X2. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16Ag8Sb5As3S16
_chemical_formula_sum "Ag48 Sb30 As18 S96"
_cell_length_a 5.973633
_cell_length_b 26.435900970000002
_cell_length_c 27.430738
_cell_angle_alpha 95.73033089
_cell_angl... |
SuperCellAction | 978e20b6-eb5a-4f6f-b4fd-2483a7c1aba1 | mp-568422 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4Na2Ag2C4N4
_chemical_formula_sum "Na16 Ag16 C32 N32"
_cell_length_a 7.68709918
_cell_length_b 3.84354959
_cell_length_c 70.56799256
_cell_angle_alpha 88.71636565
_cell_a... |
SuperCellAction | 28423ad1-f014-4843-b545-2ef3c0e2301b | mp-1213761 | Create a supercell with the size 4 by 1 by 1. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_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 Cr4Ni8B4O20Cr4Ni8B4O20Cr4Ni8B4O20Cr4Ni8B4O20
_chemical_formula_sum "Cr16 Ni32 B16 O80"
_cell_length_a 12.127468
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | bbd26b31-0cb0-4b5f-a8e6-b53ed9afa0a4 | mp-557801 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K16 Ba48 Ca64 V112 Cu48 O448"
_cell_length_a 45.7089362
_cell_length_b 22.8544681
_cell_... |
SuperCellAction | 7b871094-3514-48f9-bb49-aea2a08c6550 | mp-1202750 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19Nd5P12Ru19
_chemical_formula_sum "Nd10 P24 Ru38"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 8.028364
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group... |
SuperCellAction | 78b78f58-b985-4b7b-8a86-fbba4aea834f | mp-1104719 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural GdAl8Fe4GdAl8Fe4
_chemical_formula_sum "Gd2 Al16 Fe8"
_cell_length_a 5.103752
_cell_length_b 13.56236934
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_grou... |
SuperCellAction | dfbef373-2a61-4674-88ee-03ec4d69a064 | mp-1196042 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Na4H36Pt2N12F12
_chemical_formula_sum "Na8 H72 Pt4 N24 F24"
_cell_length_a 17.70369314
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma ... |
SuperCellAction | 468ee240-9995-4cf7-9b20-ca4356a49793 | mp-1347506 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12Mg4Cu2Ir2O12
_chemical_formula_sum "Mg32 Cu16 Ir16 O96"
_cell_length_a 10.606956
_cell_length_b 5.072948
_cell_length_c 36.66200732
_cell_angle_alpha 57.35... |
SuperCellAction | 27661dd4-4d58-4027-b995-77898bdb476d | mp-777558 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48Li32Ti3Cr13O48Li32Ti3Cr13O48Li32Ti3Cr13O48Li32Ti3Cr13O48Li32Ti3Cr13O48
_chemical_formula_sum "Li192 Ti18 Cr78 O288"
_cell_length_a 10.108946
_cell_length_b 26.230074329999997
_cell_length_c 19.54708124
_cell_angle_alpha 97.99... |
SuperCellAction | 2a08e975-541c-46b3-a263-b220056b6ece | mp-1080028 | Create a supercell with the size 2*4*1. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6Sr2ZrTiO6
_chemical_formula_sum "Sr16 Zr8 Ti8 O48"
_cell_length_a 11.49871942
_cell_length_b 22.99743884
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_an... |
SuperCellAction | ba3bf757-0faa-42d3-a46d-502ffeb72091 | mp-1175073 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12Li7Mn2Co3O12
_chemical_formula_sum "Li56 Mn16 Co24 O96"
_cell_length_a 17.626568
_cell_length_b 5.034429
_cell_length_c 20.45520348
_cell_angle_alpha 70.78... |
SuperCellAction | 2e8dcf71-7b7c-4c42-ba0f-9237436922ca | mp-1228475 | Create a supercell with the size 3×2×1. | 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 20.033214
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angl... |
SuperCellAction | e141629c-5db2-46e0-9b6a-4f75804b6e5e | mp-505638 | Create a supercell with the size 1 by 2 by 4. | 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 Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24Tb12Cr4Se24
_chemical_formula_sum "Tb96 Cr32 Se192"
_cell_length_a 3.93849841
_cell_length_b 27.90539678
_cell_length_c 67.13742752
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | c4c618e8-e110-4463-b33d-f5836eea9f97 | mp-2227274 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4MgW2Br4O4MgW2Br4O4MgW2Br4O4
_chemical_formula_sum "Mg4 W8 Br16 O16"
_cell_length_a 7.80422958
_cell_length_b 7.882914479999999
_cell_length_c 18.400663300000005
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
... |
SuperCellAction | 963d81f5-d7c7-40fe-9a0a-2b1c98e703b9 | mp-773104 | Create a supercell with the size 2*2*1. | 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 23.85852506
_cell_length_b 23.85852506
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle... |
SuperCellAction | b1a37a39-0696-4cf9-87b2-bc10221c7e4f | mp-1644899 | Create a supercell with the size 2x4x1. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24Li6V4C8O24
_chemical_formula_sum "Li48 V32 C64 O192"
_cell_length_a 15.32074944
_cell_length_b 30.63217936
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_... |
SuperCellAction | 177a54b7-4af8-45a1-b13d-8f60570c48b7 | mp-1183955 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs4H4S4Cs4H4S4Cs4H4S4Cs4H4S4
_chemical_formula_sum "Cs16 H16 S16"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 29.80390292
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma... |
SuperCellAction | 105ce9d3-494e-49d0-94d1-25d0cc2511ca | mp-770517 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_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 Li36Al4Ni8O32Li36Al4Ni8O32Li36Al4Ni8O32Li36Al4Ni8O32Li36Al4Ni8O32Li36Al4Ni8O32
_chemical_formula_sum "Li216 Al24 Ni48 O192"
_cell_length_a 19.110936000000002
_cell_length_b 7.510015
_cell_length_c 31.653958
_cell_angle_alpha 90.0
_cell_ang... |
SuperCellAction | 6e558177-4bfd-4677-8017-56ceaa897be5 | mp-1226835 | Create a supercell with the size 2x2x1. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2
_chemical_formula_sum "Ce16 Al24 Ru8"
_cell_length_a 11.1422303
_cell_length_b 11.1422303
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001... |
SuperCellAction | 86c9aba9-6711-4cea-9b6f-ab260f27166a | mp-1182591 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn7Ho3Sn7Ho3Sn7Ho3Sn7Ho3Sn7Ho3Sn7Ho3Sn7Ho3Sn7
_chemical_formula_sum "Ho24 Sn56"
_cell_length_a 28.66357104
_cell_length_b 57.32714208
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.9546... |
SuperCellAction | f711f1cb-a68d-47f1-baad-6ba7c557ecb3 | mp-2526683 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21W7O21W7O21W7O21
_chemical_formula_sum "W28 O84"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 33.74011492
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677... |
SuperCellAction | 14b13d4c-9e1c-4fbd-9926-3d865928b416 | mp-1245329 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn40O40Sn40O40Sn40O40Sn40O40
_chemical_formula_sum "Sn160 O160"
_cell_length_a 11.34094743
_cell_length_b 24.3936067
_cell_length_c 25.08621754
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
... |
SuperCellAction | 142c7fb9-2096-4403-b80c-f2d2c0582468 | mp-568040 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi9La2AlNi9La2AlNi9La2AlNi9La2AlNi9La2AlNi9
_chemical_formula_sum "La12 Al6 Ni54"
_cell_length_a 9.90353824
_cell_length_b 14.85518187
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angl... |
SuperCellAction | d3ed1175-7cc4-420c-bda6-25dbf84c4bae | mp-1234087 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24MgMn4Cu2P6O24
_chemical_formula_sum "Mg8 Mn32 Cu16 P48 O192"
_cell_length_a 33.43670772
_cell_length_b 8.30749622
_cell_length_c 18.76012186
_cell_angl... |
SuperCellAction | 17f48a9a-7746-4e29-ae65-78c422e5d3d6 | mp-17177 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_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 Nb8Zn4O24Nb8Zn4O24Nb8Zn4O24Nb8Zn4O24Nb8Zn4O24Nb8Zn4O24
_chemical_formula_sum "Nb48 Zn24 O144"
_cell_length_a 10.11148878
_cell_length_b 17.29370664
_cell_length_c 14.2852666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamm... |
SuperCellAction | fe6bf39b-ce08-4d25-b2d2-72d4ace0b5b5 | mp-24064 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_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_n... | data_image0
_chemical_formula_structural P4H4F8P4H4F8P4H4F8P4H4F8P4H4F8P4H4F8
_chemical_formula_sum "P24 H24 F48"
_cell_length_a 9.36496
_cell_length_b 19.612386
_cell_length_c 8.127723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | ded8122c-05c0-4c5c-960b-de1f1693f99b | mp-1022213 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_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 Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2Mg12Nb2Fe2
_chemical_formula_sum "Mg96 Nb16 Fe16"
_cell_length_a 9.661438
_cell_length_b 22.904592
_cell_length_c 10.908532
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 5a456e5e-e7ff-4964-8c34-c682a802fb2f | mp-1112234 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6K2GaHgF6
_chemical_formula_sum "K16 Ga8 Hg8 F48"
_cell_length_a 12.61924258
_cell_length_b 25.23848516
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta ... |
SuperCellAction | 64bb3e4b-6fa1-47fd-9c6c-e2e0e4f8b7de | mp-607816 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4U4Fe4Ge4U4Fe4Ge4
_chemical_formula_sum "U12 Fe12 Ge12"
_cell_length_a 4.40635433
_cell_length_b 21.024543299999998
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | e2d9fd9d-fc54-4bd1-aba3-edd8b2d801e7 | mp-1043054 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti8 Zn8 Ni8 P16 O72"
_cell_length_a 12.544068
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 7cc2cd91-b151-4a8f-b350-0e126c86c413 | mp-1195664 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_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 Sr8P28Br4Sr8P28Br4Sr8P28Br4Sr8P28Br4
_chemical_formula_sum "Sr32 P112 Br16"
_cell_length_a 9.88982955
_cell_length_b 19.7796591
_cell_length_c 19.7796591
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 04b53bb4-f3eb-4b0d-82e7-9260c1718385 | mp-28355 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10Na8Ge4Se10
_chemical_formula_sum "Na64 Ge32 Se80"
_cell_length_a 14.13619808
_cell_length_b 8.08216366
_cell_length_c 42.69676492
_cell_angle_alpha 73.4154392
_cell_angl... |
SuperCellAction | 248ee643-890a-4878-a32b-9ecfe7f411b9 | mp-755078 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11Sr2Ti6N2O11Sr2Ti6N2O11
_chemical_formula_sum "Sr6 Ti18 N6 O33"
_cell_length_a 7.80399505
_cell_length_b 23.411985150000003
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamm... |
SuperCellAction | b7245108-bbfd-433c-b0fa-fca8479d16e6 | mp-2218385 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4MgMn4O4F4
_chemical_formula_sum "Mg2 Mn8 O8 F8"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 10.34900804
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
... |
SuperCellAction | 2424c405-92bf-4e0a-af4d-ccffb3f1d2cb | mp-568987 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Be2H8Na4Be2H8Na4Be2H8
_chemical_formula_sum "Na12 Be6 H24"
_cell_length_a 14.819423789999998
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | 237608f2-02bf-4498-93ee-4ea4482ad238 | mp-1188599 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb8Au6Gd6Sb8Au6Gd6Sb8Au6Gd6Sb8Au6
_chemical_formula_sum "Gd24 Sb32 Au24"
_cell_length_a 17.32933114
_cell_length_b 8.66466557
_cell_length_c 17.32933114
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma ... |
SuperCellAction | 92091cc8-1cf3-4e93-b826-49a1aaf36be2 | mp-1214189 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_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 Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24Be6Si6C8S2O24
_chemical_formula_sum "Be48 Si48 C64 S16 O192"
_cell_length_a 16.042874
_cell_length_b 8.021437
_cell_length_c 32.085748
_cell_angle_alph... |
SuperCellAction | 7333f9ef-4682-445e-8c9d-72fe5fb12c7a | mp-981356 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural ZrFe6Ge6ZrFe6Ge6
_chemical_formula_sum "Zr2 Fe12 Ge12"
_cell_length_a 5.06194756
_cell_length_b 10.1238981
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.998981779999... |
SuperCellAction | 75b4b7d3-f907-48a9-a38a-f063537dbb7c | mp-697575 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_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 Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16Rb8Zn4H16
_chemical_formula_sum "Rb48 Zn24 H96"
_cell_length_a 18.027401310000002
_cell_length_b 16.26819678
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angl... |
SuperCellAction | 546be44d-d381-470c-9349-f5a64fe6425a | mp-1233200 | Create a supercell with the size 2*3*1. | 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 10.60681548
_cell_length_b 24.112502879999997
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38... |
SuperCellAction | d82b570c-7802-4027-a05b-4c368bcd285f | mp-1179727 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh12S12Cl60Rh12S12Cl60Rh12S12Cl60Rh12S12Cl60Rh12S12Cl60Rh12S12Cl60
_chemical_formula_sum "Rh72 S72 Cl360"
_cell_length_a 27.81344436
_cell_length_b 41.720166539999994
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_... |
SuperCellAction | f92a4607-0dae-4126-86f6-af1d1b5b5159 | mp-1215706 | Create a supercell with the size 2x2x2. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural ZnCuW2O8ZnCuW2O8ZnCuW2O8ZnCuW2O8ZnCuW2O8ZnCuW2O8ZnCuW2O8ZnCuW2O8
_chemical_formula_sum "Zn8 Cu8 W16 O64"
_cell_length_a 9.490492
_cell_length_b 10.02174638
_cell_length_c 11.76570116
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.011... |
SuperCellAction | 9c018218-c5da-45cc-9f6d-8fb5f5b0b516 | mp-771831 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8La4Cl28Sr8La4Cl28Sr8La4Cl28Sr8La4Cl28Sr8La4Cl28Sr8La4Cl28
_chemical_formula_sum "Sr48 La24 Cl168"
_cell_length_a 26.706148
_cell_length_b 21.62073
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
... |
SuperCellAction | d86195f9-7273-4cdf-92b1-2c22199eeea4 | mp-1233037 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12CaTb4Al2Fe2O12CaTb4Al2Fe2O12
_chemical_formula_sum "Ca3 Tb12 Al6 Fe6 O36"
_cell_length_a 18.428425920000002
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_ce... |
SuperCellAction | 7142323e-3d0e-4e95-94dd-2bf95479ee0f | mp-558219 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2Li2B6S12Sr2Li2B6S12
_chemical_formula_sum "Sr4 Li4 B12 S24"
_cell_length_a 8.73321635
_cell_length_b 17.4664327
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_... |
SuperCellAction | 67a4fd41-c684-4afe-b1bc-90c9e94a986f | mp-1173973 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8Li5Mn2CoO8
_chemical_formula_sum "Li30 Mn12 Co6 O48"
_cell_length_a 10.26790256
_cell_length_b 17.613709410000002
_cell_length_c 5.87250821
_cell_angle_alpha 58.222406219999996
_cell_angle_... |
SuperCellAction | 3e71edda-12b6-4351-bc2a-a124b8349d25 | mp-1049235 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12La2Ta2Zn2Cr2O12
_chemical_formula_sum "La16 Ta16 Zn16 Cr16 O96"
_cell_length_a 5.725048
_cell_length_b 10.84569
_cell_length_c 40.0114214... |
SuperCellAction | 10c3870f-c7d8-4d30-8545-dc9e115c5179 | mp-572465 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24Cr4Cu4P8S24
_chemical_formula_sum "Cr32 Cu32 P64 S192"
_cell_length_a 10.378013
_cell_length_b 11.970732
_cell_length_c 58.121733
_cell_angle_alpha 74.92798852
_c... |
SuperCellAction | 5e2b3de1-c116-40bc-b874-4755552d14d5 | mp-1188256 | Create a supercell with the size 3×2×1. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_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 U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12U4Ni4Se12
_chemical_formula_sum "U24 Ni24 Se72"
_cell_length_a 18.765221999999998
_cell_length_b 14.77462
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | c058a9c3-c91f-4def-8d75-7e3fdbcb7bae | mp-1201935 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28K8P8H16O28
_chemical_formula_sum "K48 P48 H96 O168"
_cell_length_a 7.836889
_cell_length_b 30.550328490000002
_cell_length_c 20.75316936
_cell_angle_alpha 93.40981959000001
_cell_angle_beta... |
SuperCellAction | 162819d4-b5ec-48f4-87b1-83b0f2328534 | mp-8762 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4Er8S8O4
_chemical_formula_sum "Er48 S48 O24"
_cell_length_a 20.39216406
_cell_length_b 6.78756073
_cell_length_c 16.36667142
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | e9c91de1-187d-459b-b09f-8a30f045025f | mp-1195020 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24Pr4Tl4P8Se24
_chemical_formula_sum "Pr24 Tl24 P48 Se144"
_cell_length_a 15.665808
_cell_length_b 36.126464999999996
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_an... |
SuperCellAction | 0210213b-1044-4576-94fa-108e36c70ec5 | mp-756349 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16Mn3CuP4O16
_chemical_formula_sum "Mn24 Cu8 P32 O128"
_cell_length_a 12.018374
_cell_length_b 19.619656
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angl... |
SuperCellAction | 4324ae6f-7fc8-40e3-b879-2bd0f0c30f46 | mp-1328951 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32Ta8Mn4Zn4O32
_chemical_formula_sum "Ta64 Mn32 Zn32 O256"
_cell_length_a 10.1918162
_cell_length_b 5.74841374
_cell_length_c 78.66961356
_cell_angle_alpha 9... |
SuperCellAction | 5ddf5932-50de-4a52-b2d5-942d731c2b25 | mp-1245786 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_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 In12Ga8N16In12Ga8N16In12Ga8N16
_chemical_formula_sum "In36 Ga24 N48"
_cell_length_a 6.338033
_cell_length_b 32.099799
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
SuperCellAction | 8104fca8-a8d5-4d51-a553-814dc11d2045 | mp-753939 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_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 Li4Sn4P4O16Li4Sn4P4O16Li4Sn4P4O16Li4Sn4P4O16Li4Sn4P4O16Li4Sn4P4O16
_chemical_formula_sum "Li24 Sn24 P24 O96"
_cell_length_a 9.737558
_cell_length_b 7.169465
_cell_length_c 32.610813
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 6216457e-8574-4f52-aa0b-c502ece58195 | mp-752419 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Sr4Ca4I16
_chemical_formula_sum "Sr8 Ca8 I32"
_cell_length_a 21.804816
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | 56e3fc31-4bda-477a-83ef-a3c15d495e06 | mp-1026593 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg14WCsMg14WCsMg14WCsMg14WCsMg14WCsMg14WCsMg14WCsMg14W
_chemical_formula_sum "Cs8 Mg112 W8"
_cell_length_a 25.83497812
_cell_length_b 6.458744000000001
_cell_length_c 21.32630322
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | c679b61d-1cab-4722-b4be-e1e8306ccd0b | mp-2753 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl16S12Tl16S12
_chemical_formula_sum "Tl32 S24"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 26.18373702
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_a... |
SuperCellAction | 8de5035f-2adf-41d4-bf16-bd6ff831ca35 | mp-1201334 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12NiH20PdC4N4O12
_chemical_formula_sum "Ni8 H160 Pd8 C32 N32 O96"
_cell_length_a 7.190677
_cell_length_b 14.902038
_cell_length_c 36.5102526
_cell... |
SuperCellAction | 5351ced9-5a43-4477-b3e1-1ea539c131d9 | mp-1246366 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8Zr2Cr2Ag2S8Zr2Cr2Ag2S8Zr2Cr2Ag2S8Zr2Cr2Ag2S8Zr2Cr2Ag2S8
_chemical_formula_sum "Zr12 Cr12 Ag12 S48"
_cell_length_a 7.14491313
_cell_length_b 12.244045939999998
_cell_length_c 19.696263209999998
_cell_angle_alpha 92.21634455
_cell... |
SuperCellAction | 99eef48e-fe76-489c-9705-07045a96bb9e | mp-756744 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18Li6Co6B6O18
_chemical_formula_sum "Li48 Co48 B48 O144"
_cell_length_a 6.17850616
_cell_length_b 16.304987199999996
_cell_length_c 28.281483620000003
_cell_angle_alph... |
SuperCellAction | 7d5dcdbe-e213-40a7-916c-89e89634f8eb | mp-1233814 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20MgCr8P4O20
_chemical_formula_sum "Mg2 Cr16 P8 O40"
_cell_length_a 15.87839328
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 2efed172-23f5-47d3-bde3-8143296015f0 | mp-6955 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_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 K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4K4Ge4N4O4
_chemical_formula_sum "K32 Ge32 N32 O32"
_cell_length_a 10.58235
_cell_length_b 23.24188
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell... |
SuperCellAction | c7eefd78-6e7a-4037-b5d0-bc9147cb2f22 | mp-1046251 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16Ta4Zn4W2O16
_chemical_formula_sum "Ta16 Zn16 W8 O64"
_cell_length_a 5.344397
_cell_length_b 11.96665398
_cell_length_c 20.5204166
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_... |
SuperCellAction | 7e7c8768-9305-4126-afbb-e87a9e08791e | mp-1229067 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32Ba10Y5Cu15O32
_chemical_formula_sum "Ba60 Y30 Cu90 O192"
_cell_length_a 5.517439
_cell_length_b 26.505170219999997
_cell_length_c 42.05344614
_cell_angle_alpha 114.07744676
_... |
SuperCellAction | 163c0618-2b12-4a90-a05c-c204f351a28a | mp-1275723 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co6O16Li6Mn2Co6O16
_chemical_formula_sum "Li12 Mn4 Co12 O32"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 11.66459878
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.7944... |
SuperCellAction | 04a94965-f9c0-448c-9f43-7d43669256a7 | mp-1245067 | Create a supercell with the size 3×1×1. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al300
_chemical_formula_sum "Al300"
_cell_length_a 35.94992376
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... |
SuperCellAction | 9772b4c6-387b-4a93-947e-f8d42d3122c1 | mp-1196375 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4Gd2Cd40Ni4
_chemical_formula_sum "Gd12 Cd240 Ni24"
_cell_length_a 33.48307305
_cell_length_b 22.3220487
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 5... |
SuperCellAction | 49a2de42-21e2-4eac-94a1-22e5e880286e | mp-754190 | Create a supercell with the size 1×1×4. | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... | data_image0
_chemical_formula_structural VSb3P4O16VSb3P4O16VSb3P4O16VSb3P4O16
_chemical_formula_sum "V4 Sb12 P16 O64"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 27.42223412
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma ... |
SuperCellAction | 51bb1d76-bd76-4b89-9f9d-5ff8ab6be0ef | mp-1223453 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3La2Ga5Au3
_chemical_formula_sum "La16 Ga40 Au24"
_cell_length_a 4.479646
_cell_length_b 17.918584
_cell_length_c 21.930014
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | fda3aec8-c7d9-4bdc-8d17-02412c09ed6e | mp-624221 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10Ge6Rh10
_chemical_formula_sum "Ge48 Rh80"
_cell_length_a 7.89801924
_cell_length_b 5.48650678
_cell_length_c 41.96997028
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_g... |
SuperCellAction | e1d0d3c3-b515-4d91-854e-ecfa66d145d7 | mp-1075928 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_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 Sr4Ca4Co8O24Sr4Ca4Co8O24Sr4Ca4Co8O24Sr4Ca4Co8O24Sr4Ca4Co8O24Sr4Ca4Co8O24
_chemical_formula_sum "Sr24 Ca24 Co48 O144"
_cell_length_a 22.978047
_cell_length_b 15.318698
_cell_length_c 7.657479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | c7d6f337-4209-4baa-8b39-a12647f87470 | mp-1518745 | Create a supercell with the size 1x3x1. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6SrEuFeBiO6SrEuFeBiO6
_chemical_formula_sum "Sr3 Eu3 Fe3 Bi3 O18"
_cell_length_a 5.82557674
_cell_length_b 17.47673022
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 36a6731a-5fbd-4bfe-b8d1-61b7824f879d | mp-2230833 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... | data_image0
_chemical_formula_structural MgMnV4NiO12MgMnV4NiO12MgMnV4NiO12MgMnV4NiO12MgMnV4NiO12MgMnV4NiO12
_chemical_formula_sum "Mg6 Mn6 V24 Ni6 O72"
_cell_length_a 6.93014376
_cell_length_b 21.27477666
_cell_length_c 11.39950184
_cell_angle_alpha 73.78197267
_cell_angle_beta ... |
SuperCellAction | 5b99301d-ff26-4f99-b97b-62b648e2735e | mp-558681 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural P8Cl8O8F16
_chemical_formula_sum "P8 Cl8 O8 F16"
_cell_length_a 5.55295745
_cell_length_b 9.90794988
_cell_length_c 13.09894283
_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 P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16P8Cl8O8F16
_chemical_formula_sum "P48 Cl48 O48 F96"
_cell_length_a 5.55295745
_cell_length_b 29.72384964
_cell_length_c 26.19788566
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_an... |
SuperCellAction | 295b11f0-effa-437f-a2d8-76b34f3345a8 | mp-1214888 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural AlZn2SbH12O12
_chemical_formula_sum "Al1 Zn2 Sb1 H12 O12"
_cell_length_a 5.4549923
_cell_length_b 5.4549923
_cell_length_c 9.901306
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000367999999
_space_group_name... | data_image0
_chemical_formula_structural AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12AlZn2SbH12O12
_chemical_formula_sum "Al8 Zn16 Sb8 H96 O96"
_cell_length_a 21.8199692
_cell_length_b 5.4549923
_cell_length_c 19.802612
_cell_angle_alph... |
SuperCellAction | d8730780-2c3b-4ff3-9ccd-59059dcf58b8 | mp-757167 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li12Si6Ni6O24
_chemical_formula_sum "Li12 Si6 Ni6 O24"
_cell_length_a 5.01778106
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle_gamma 89.993... | data_image0
_chemical_formula_structural Li12Si6Ni6O24Li12Si6Ni6O24
_chemical_formula_sum "Li24 Si12 Ni12 O48"
_cell_length_a 10.03556212
_cell_length_b 8.691764240000001
_cell_length_c 12.53414011
_cell_angle_alpha 110.25805743
_cell_angle_beta 101.56827368999998
_cell_angle... |
SuperCellAction | 7b8800ec-8c63-4fd6-8311-8917674fe0bc | mp-1037899 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural CaMg30NbO32
_chemical_formula_sum "Ca1 Mg30 Nb1 O32"
_cell_length_a 8.5899102
_cell_length_b 8.59776736
_cell_length_c 8.59776736
_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 CaMg30NbO32CaMg30NbO32CaMg30NbO32CaMg30NbO32
_chemical_formula_sum "Ca4 Mg120 Nb4 O128"
_cell_length_a 8.5899102
_cell_length_b 17.19553472
_cell_length_c 17.19553472
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 69316146-2009-4d5b-b1b5-82f72e199767 | mp-1041312 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8BaMn4O8BaMn4O8
_chemical_formula_sum "Ba3 Mn12 O24"
_cell_length_a 5.64584012
_cell_length_b 16.937520359999997
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space... |
SuperCellAction | 872a3f86-6013-41c8-95e3-c46881468696 | mp-1027815 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural KMg14Co
_chemical_formula_sum "K1 Mg14 Co1"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 10.48663987
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural KMg14CoKMg14CoKMg14CoKMg14Co
_chemical_formula_sum "K4 Mg56 Co4"
_cell_length_a 6.33349415
_cell_length_b 6.33349365
_cell_length_c 41.94655948
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000266
_space_grou... |
SuperCellAction | 2a36ff5a-344d-4af5-96cc-fa64bf23ce10 | mp-1188970 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Cs2CdFeC6N6
_chemical_formula_sum "Cs2 Cd1 Fe1 C6 N6"
_cell_length_a 7.63005128
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs2CdFeC6N6Cs2CdFeC6N6Cs2CdFeC6N6
_chemical_formula_sum "Cs6 Cd3 Fe3 C18 N18"
_cell_length_a 22.89015384
_cell_length_b 7.630051280000001
_cell_length_c 7.630051280000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999... |
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