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 | 4309a6d9-647a-45f7-ba62-6d31c13bc38f | mp-1216279 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Y6Ga17Pt5
_chemical_formula_sum "Y6 Ga17 Pt5"
_cell_length_a 8.11900182
_cell_length_b 8.11900182
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31.01343326
_space_group_name... | data_image0
_chemical_formula_structural Y6Ga17Pt5Y6Ga17Pt5Y6Ga17Pt5
_chemical_formula_sum "Y18 Ga51 Pt15"
_cell_length_a 8.11900182
_cell_length_b 24.357005459999996
_cell_length_c 15.63976875
_cell_angle_alpha 77.19919537
_cell_angle_beta 77.19919537
_cell_angle_gamma 31... |
SuperCellAction | ba9adb69-e4a3-4cee-b2f0-90661513c155 | mp-1247128 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural SmMg2Cr3S8
_chemical_formula_sum "Sm1 Mg2 Cr3 S8"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 7.493654620000001
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma 58.83750572999999
_... | data_image0
_chemical_formula_structural SmMg2Cr3S8SmMg2Cr3S8SmMg2Cr3S8
_chemical_formula_sum "Sm3 Mg6 Cr9 S24"
_cell_length_a 7.47872266
_cell_length_b 7.49320347
_cell_length_c 22.480963860000003
_cell_angle_alpha 58.93402922
_cell_angle_beta 58.83723436
_cell_angle_gamma ... |
SuperCellAction | 47f4c009-db14-4e3c-b23e-b0e535cda808 | mp-1349418 | Create a supercell with the size 4x1x1. | data_image0
_chemical_formula_structural Mg4Mo12O28
_chemical_formula_sum "Mg4 Mo12 O28"
_cell_length_a 5.765112
_cell_length_b 9.952709
_cell_length_c 11.030421
_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 Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28Mg4Mo12O28
_chemical_formula_sum "Mg16 Mo48 O112"
_cell_length_a 23.060448
_cell_length_b 9.952709
_cell_length_c 11.030421
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
SuperCellAction | 00f9922d-97c3-4301-9f37-02b7f4804495 | mp-1222315 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural LiLaTi2O6
_chemical_formula_sum "Li1 La1 Ti2 O6"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 5.50131621
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural LiLaTi2O6LiLaTi2O6LiLaTi2O6
_chemical_formula_sum "Li3 La3 Ti6 O18"
_cell_length_a 5.50131621
_cell_length_b 5.50131621
_cell_length_c 16.503948629999996
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_an... |
SuperCellAction | 6c0f6e41-dc3e-43ba-834e-43926fdfbeb4 | mp-556015 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Dy18Sb10O10
_chemical_formula_sum "Dy18 Sb10 O10"
_cell_length_a 9.875127
_cell_length_b 9.875127
_cell_length_c 8.87761
_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 Dy18Sb10O10Dy18Sb10O10Dy18Sb10O10Dy18Sb10O10Dy18Sb10O10Dy18Sb10O10
_chemical_formula_sum "Dy108 Sb60 O60"
_cell_length_a 29.625381000000004
_cell_length_b 9.875127
_cell_length_c 17.75522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_c... |
SuperCellAction | 9b37f6ff-a672-4762-81a0-db43096046f9 | mp-730460 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Na10H6C8O24
_chemical_formula_sum "Na10 H6 C8 O24"
_cell_length_a 3.40453221
_cell_length_b 9.99076164
_cell_length_c 15.456632970000001
_cell_angle_alpha 107.73262794999998
_cell_angle_beta 95.45983126000002
_cell_angle_gamma 94.88... | data_image0
_chemical_formula_structural Na10H6C8O24Na10H6C8O24Na10H6C8O24Na10H6C8O24Na10H6C8O24Na10H6C8O24Na10H6C8O24Na10H6C8O24
_chemical_formula_sum "Na80 H48 C64 O192"
_cell_length_a 13.61812884
_cell_length_b 9.99076164
_cell_length_c 30.913265940000002
_cell_angle_alpha 107... |
SuperCellAction | 6efad470-4cd3-4d0f-8d5a-fd4728bdb9a2 | mp-19484 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Ba4Ca4V8O28
_chemical_formula_sum "Ba4 Ca4 V8 O28"
_cell_length_a 5.871943
_cell_length_b 7.615046
_cell_length_c 15.713467
_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 Ba4Ca4V8O28Ba4Ca4V8O28Ba4Ca4V8O28Ba4Ca4V8O28
_chemical_formula_sum "Ba16 Ca16 V32 O112"
_cell_length_a 11.743886
_cell_length_b 7.615046
_cell_length_c 31.426934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_... |
SuperCellAction | e89de940-e6af-421f-a682-83b45479335f | mp-1376216 | Create a supercell with the size 1 by 4 by 1. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Mg4V8O16Mg4V8O16Mg4V8O16
_chemical_formula_sum "Mg16 V32 O64"
_cell_length_a 2.964384
_cell_length_b 36.678216
_cell_length_c 10.559834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
SuperCellAction | c24da9f7-9056-4d1f-bdfe-cacd1fde4bc5 | mp-1045114 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16
_chemical_formula_sum "Al2 V6 Se4 Cl2 O16"
_cell_length_a 6.64995
_cell_length_b 8.00421245
_cell_length_c 9.98110253
_cell_angle_alpha 90.95969209
_cell_angle_beta 104.33704289
_cell_angle_gamma 90.33209238
_space_g... | data_image0
_chemical_formula_structural Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16Al2V6Se4Cl2O16
_chemical_formula_sum "Al12 V36 Se24 Cl12 O96"
_cell_length_a 6.64995
_cell_length_b 16.0084249
_cell_length_c 29.94330759
_cell_angle_alpha 90.95969209
_... |
SuperCellAction | e7da229d-ee1b-4b85-8ec8-73cd6ca651bf | mp-758643 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_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 V4C8O24V4C8O24V4C8O24V4C8O24
_chemical_formula_sum "V16 C32 O96"
_cell_length_a 28.536504
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
SuperCellAction | a405353d-7d08-44f4-adba-7922b668f2df | mp-6606 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Sr2Y2Si8N14
_chemical_formula_sum "Sr2 Y2 Si8 N14"
_cell_length_a 6.06146913
_cell_length_b 6.061469130000001
_cell_length_c 9.888144
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999050999999
_space_group_na... | data_image0
_chemical_formula_structural Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14Sr2Y2Si8N14
_chemical_formula_sum "Sr12 Y12 Si48 N84"
_cell_length_a 6.06146913
_cell_length_b 12.122938260000002
_cell_length_c 29.664432
_cell_angle_alpha 90.0
_cell_angle_beta 9... |
SuperCellAction | 058e4fef-e09c-4c6f-b9d5-b214af9efe79 | mp-1245698 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Zn4Cr4N8
_chemical_formula_sum "Zn4 Cr4 N8"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 5.232644
_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 Zn4Cr4N8Zn4Cr4N8Zn4Cr4N8
_chemical_formula_sum "Zn12 Cr12 N24"
_cell_length_a 5.545738
_cell_length_b 6.374528
_cell_length_c 15.697931999999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | d469262a-65d6-49e9-a874-50b90eaba270 | mp-625941 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural TeH6O6
_chemical_formula_sum "Te1 H6 O6"
_cell_length_a 5.91528034
_cell_length_b 5.790779660000001
_cell_length_c 5.37207892
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_gamma 54.621599350000... | data_image0
_chemical_formula_structural TeH6O6TeH6O6TeH6O6TeH6O6
_chemical_formula_sum "Te4 H24 O24"
_cell_length_a 11.83056068
_cell_length_b 5.790779660000001
_cell_length_c 10.74415784
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_cell_angle_ga... |
SuperCellAction | fddf86e1-df9e-4a46-9687-db9a8a6e5715 | mp-777836 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li14Co13O28
_chemical_formula_sum "Li14 Co13 O28"
_cell_length_a 7.499182
_cell_length_b 8.05935355
_cell_length_c 8.55269923
_cell_angle_alpha 102.77987539999998
_cell_angle_beta 104.52860817999999
_cell_angle_gamma 105.43692013
_... | data_image0
_chemical_formula_structural Li14Co13O28Li14Co13O28Li14Co13O28Li14Co13O28Li14Co13O28Li14Co13O28Li14Co13O28Li14Co13O28
_chemical_formula_sum "Li112 Co104 O224"
_cell_length_a 14.998364
_cell_length_b 8.05935355
_cell_length_c 34.21079692
_cell_angle_alpha 102.779875399... |
SuperCellAction | 166d7741-dc69-443c-b1df-902a06951611 | mp-570405 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural Ti4Hg24P16Cl28
_chemical_formula_sum "Ti4 Hg24 P16 Cl28"
_cell_length_a 12.046794
_cell_length_b 12.046794
_cell_length_c 12.046794
_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 Ti4Hg24P16Cl28Ti4Hg24P16Cl28Ti4Hg24P16Cl28Ti4Hg24P16Cl28
_chemical_formula_sum "Ti16 Hg96 P64 Cl112"
_cell_length_a 48.187176
_cell_length_b 12.046794
_cell_length_c 12.046794
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_ga... |
SuperCellAction | 17eb129a-9fd7-49a6-904e-a5d4fb52acf9 | mp-1111469 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6Rb2AgAuCl6
_chemical_formula_sum "Rb4 Ag2 Au2 Cl12"
_cell_length_a 14.61673156
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59... |
SuperCellAction | b6e77e1a-89e5-4fa8-bbda-ea0a5a3815f5 | mp-1202046 | Create a supercell with the size 4*1*2. | data_image0
_chemical_formula_structural Sr8P4I4O16
_chemical_formula_sum "Sr8 P4 I4 O16"
_cell_length_a 9.019828
_cell_length_b 8.540954
_cell_length_c 9.22496142
_cell_angle_alpha 67.48799209
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16Sr8P4I4O16
_chemical_formula_sum "Sr64 P32 I32 O128"
_cell_length_a 36.079312
_cell_length_b 8.540954
_cell_length_c 18.44992284
_cell_angle_alpha 67.48799209
_cell_angl... |
SuperCellAction | f703b0c5-9650-4fd6-b863-1162fe9f89e3 | mp-1203429 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Tm8B24Os4
_chemical_formula_sum "Tm8 B24 Os4"
_cell_length_a 3.61183316
_cell_length_b 9.05426635
_cell_length_c 11.41713141
_cell_angle_alpha 90.00000214
_cell_angle_beta 90.00000165
_cell_angle_gamma 89.99999971
_space_group_name... | data_image0
_chemical_formula_structural Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4Tm8B24Os4
_chemical_formula_sum "Tm64 B192 Os32"
_cell_length_a 14.44733264
_cell_length_b 9.05426635
_cell_length_c 22.83426282
_cell_angle_alpha 90.00000214
_cell_angle_beta ... |
SuperCellAction | b8984e47-1939-45ed-ae61-2fc4a95e7f5e | mp-1074916 | Create a supercell with the size 1x1x3. | data_image0
_chemical_formula_structural Mg14Si8
_chemical_formula_sum "Mg14 Si8"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 15.49498043
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.04907515
_space_group... | data_image0
_chemical_formula_structural Mg14Si8Mg14Si8Mg14Si8
_chemical_formula_sum "Mg42 Si24"
_cell_length_a 4.510152
_cell_length_b 6.18780927
_cell_length_c 46.484941289999995
_cell_angle_alpha 93.37384975000002
_cell_angle_beta 91.72385019000001
_cell_angle_gamma 90.... |
SuperCellAction | 8f0eae0a-e5b1-41a3-b1e7-2ecec8010aa9 | mp-1233723 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural MgAlBi12O20
_chemical_formula_sum "Mg1 Al1 Bi12 O20"
_cell_length_a 8.99253013
_cell_length_b 8.98975872
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_beta 108.55081522000002
_cell_angle_gamma 108.60741344
_s... | data_image0
_chemical_formula_structural MgAlBi12O20MgAlBi12O20MgAlBi12O20MgAlBi12O20MgAlBi12O20MgAlBi12O20
_chemical_formula_sum "Mg6 Al6 Bi72 O120"
_cell_length_a 26.977590390000003
_cell_length_b 17.97951744
_cell_length_c 8.98900456
_cell_angle_alpha 108.47524051
_cell_angle_... |
SuperCellAction | 046a1409-4438-4bcd-a35c-e89de2e93521 | mp-703316 | Create a supercell with the size 1x3x2. | data_image0
_chemical_formula_structural La4Mg8H28
_chemical_formula_sum "La4 Mg8 H28"
_cell_length_a 6.33773359
_cell_length_b 6.33773359
_cell_length_c 9.5362298
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural La4Mg8H28La4Mg8H28La4Mg8H28La4Mg8H28La4Mg8H28La4Mg8H28
_chemical_formula_sum "La24 Mg48 H168"
_cell_length_a 6.33773359
_cell_length_b 19.01320077
_cell_length_c 19.0724596
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma... |
SuperCellAction | 28336376-a32c-4789-9370-ebde1f4e1eef | mp-1202826 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Gd8U4S20
_chemical_formula_sum "Gd8 U4 S20"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 11.77541072
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
_space_g... | data_image0
_chemical_formula_structural Gd8U4S20Gd8U4S20
_chemical_formula_sum "Gd16 U8 S40"
_cell_length_a 7.4439669
_cell_length_b 8.00870386
_cell_length_c 23.55082144
_cell_angle_alpha 89.99970638999999
_cell_angle_beta 89.99995996999999
_cell_angle_gamma 89.99990333
... |
SuperCellAction | d8310e8c-e306-493e-84f5-f4b71bd91673 | mp-1210721 | Create a supercell with the size 1 by 1 by 2. | data_image0
_chemical_formula_structural Nd4Cr8O8
_chemical_formula_sum "Nd4 Cr8 O8"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 8.0100726
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412211
_space... | data_image0
_chemical_formula_structural Nd4Cr8O8Nd4Cr8O8
_chemical_formula_sum "Nd8 Cr16 O16"
_cell_length_a 8.0100726
_cell_length_b 8.010072599999999
_cell_length_c 16.0201452
_cell_angle_alpha 112.69276483000002
_cell_angle_beta 112.69276483
_cell_angle_gamma 103.20412... |
SuperCellAction | d2580956-5b04-4d02-8f29-066c0066d4e3 | mp-866810 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ca4Sn2S8
_chemical_formula_sum "Ca4 Sn2 S8"
_cell_length_a 6.18460896
_cell_length_b 6.18460896
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 110.59572336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8Ca4Sn2S8
_chemical_formula_sum "Ca32 Sn16 S64"
_cell_length_a 12.36921792
_cell_length_b 24.73843584
_cell_length_c 9.736881
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | d98be1fa-0eb0-4648-abdf-077794b42735 | mp-1104734 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Te2Br12
_chemical_formula_sum "Te2 Br12"
_cell_length_a 7.428041
_cell_length_b 7.428041
_cell_length_c 11.0806
_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_... | data_image0
_chemical_formula_structural Te2Br12Te2Br12Te2Br12Te2Br12Te2Br12Te2Br12Te2Br12Te2Br12
_chemical_formula_sum "Te16 Br96"
_cell_length_a 7.428041
_cell_length_b 29.712164
_cell_length_c 22.1612
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
... |
SuperCellAction | 6962266d-db8b-427d-a1a8-a01fe7cc69be | mp-1234724 | Create a supercell with the size 1x1x2. | data_image0
_chemical_formula_structural MgCo4Te8O20
_chemical_formula_sum "Mg1 Co4 Te8 O20"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 6.31252205
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
_space_grou... | data_image0
_chemical_formula_structural MgCo4Te8O20MgCo4Te8O20
_chemical_formula_sum "Mg2 Co8 Te16 O40"
_cell_length_a 7.21797646
_cell_length_b 10.99906875
_cell_length_c 12.6250441
_cell_angle_alpha 93.50586638
_cell_angle_beta 89.91877175
_cell_angle_gamma 88.66718852
... |
SuperCellAction | bf6cdd4f-df4d-4de0-b1ed-01722defa587 | mp-1101228 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural V4F18
_chemical_formula_sum "V4 F18"
_cell_length_a 5.15948158
_cell_length_b 5.15948158
_cell_length_c 14.418455
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural V4F18V4F18V4F18V4F18V4F18V4F18V4F18V4F18
_chemical_formula_sum "V32 F144"
_cell_length_a 5.15948158
_cell_length_b 10.31896316
_cell_length_c 57.67382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999463999998... |
SuperCellAction | 86f1ecca-5596-41f1-8688-cf03e3344332 | mp-1104537 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4NdAl8Cr4
_chemical_formula_sum "Nd8 Al64 Cr32"
_cell_length_a 5.060121
_cell_length_b 27.39570156
_cell_length_c 13.69785078
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.3207... |
SuperCellAction | 0a90e90d-7e22-4591-87f8-f1a58b8334e7 | mp-545706 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Ca3Cu2Br2O4
_chemical_formula_sum "Ca3 Cu2 Br2 O4"
_cell_length_a 12.26960226
_cell_length_b 12.26960226
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740200000002
_cell_angle_beta 161.80740200000002
_cell_angle_gamma 25.838674... | data_image0
_chemical_formula_structural Ca3Cu2Br2O4Ca3Cu2Br2O4Ca3Cu2Br2O4
_chemical_formula_sum "Ca9 Cu6 Br6 O12"
_cell_length_a 12.26960226
_cell_length_b 36.80880678
_cell_length_c 12.26960226
_cell_angle_alpha 161.80740199999997
_cell_angle_beta 161.80740200000002
_cell_a... |
SuperCellAction | 73171996-8c48-4cf8-aa7c-ac96d5b2fca0 | mp-1191832 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Na2Mo8O12
_chemical_formula_sum "Na2 Mo8 O12"
_cell_length_a 10.016629
_cell_length_b 10.016629
_cell_length_c 3.26276
_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 Na2Mo8O12Na2Mo8O12
_chemical_formula_sum "Na4 Mo16 O24"
_cell_length_a 20.033258
_cell_length_b 10.016629
_cell_length_c 3.26276
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
SuperCellAction | 5f73b23e-a8b3-4614-ab3e-3af49fa92c57 | mp-754658 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Te4O12
_chemical_formula_sum "Te4 O12"
_cell_length_a 5.12838914
_cell_length_b 4.80121244
_cell_length_c 8.3421979
_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 Te4O12Te4O12Te4O12Te4O12Te4O12Te4O12Te4O12Te4O12
_chemical_formula_sum "Te32 O96"
_cell_length_a 10.25677828
_cell_length_b 9.60242488
_cell_length_c 16.6843958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
SuperCellAction | 61843c81-c5e1-4890-8f9e-78a48f002aa0 | mp-17822 | Create a supercell with the size 2X2X2. | 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 19.714609539999998
_cell_length_c 10.68227944
_cell_angle_alpha 74.85744461
_cell_ang... |
SuperCellAction | af47cd68-b37a-4986-813b-ef30cd59ecbc | mp-1026735 | Create a supercell with the size 1X1X3. | data_image0
_chemical_formula_structural CeMg14Sb
_chemical_formula_sum "Ce1 Mg14 Sb1"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 10.55270559
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural CeMg14SbCeMg14SbCeMg14Sb
_chemical_formula_sum "Ce3 Mg42 Sb3"
_cell_length_a 6.42162915
_cell_length_b 6.42162863
_cell_length_c 31.65811677
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000275000001
_space_g... |
SuperCellAction | 45e84dc2-d8c1-414d-a7b2-38096fb839fe | mp-558603 | Create a supercell with the size 1×2×1. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18K4Si8O18
_chemical_formula_sum "K8 Si16 O36"
_cell_length_a 4.93890481
_cell_length_b 16.69284132
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_spa... |
SuperCellAction | 8507fecb-7cf5-4129-bbd9-bb2dc0e3596d | mp-754012 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Mn2C4O12
_chemical_formula_sum "Mn2 C4 O12"
_cell_length_a 4.66888862
_cell_length_b 11.27689333
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta 120.0022389
_cell_angle_gamma 90.00444884
_space_group... | data_image0
_chemical_formula_structural Mn2C4O12Mn2C4O12Mn2C4O12Mn2C4O12Mn2C4O12Mn2C4O12Mn2C4O12Mn2C4O12
_chemical_formula_sum "Mn16 C32 O96"
_cell_length_a 9.33777724
_cell_length_b 45.10757332
_cell_length_c 4.668973390000001
_cell_angle_alpha 78.05049791
_cell_angle_beta ... |
SuperCellAction | b6acf0bc-8596-4a8d-9d13-d059c3318ae0 | mp-1026930 | Create a supercell with the size 1×3×1. | data_image0
_chemical_formula_structural Te2MoW3Se2S4
_chemical_formula_sum "Te2 Mo1 W3 Se2 S4"
_cell_length_a 3.3083593
_cell_length_b 3.3083593000000002
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998606000001
_space_gro... | data_image0
_chemical_formula_structural Te2MoW3Se2S4Te2MoW3Se2S4Te2MoW3Se2S4
_chemical_formula_sum "Te6 Mo3 W9 Se6 S12"
_cell_length_a 3.3083593
_cell_length_b 9.9250779
_cell_length_c 37.684738
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.9999860600... |
SuperCellAction | efcf37d7-8566-413d-b4bf-2465ceff4dff | mp-1041539 | Create a supercell with the size 1×3×2. | data_image0
_chemical_formula_structural Ti4Zn2O8
_chemical_formula_sum "Ti4 Zn2 O8"
_cell_length_a 6.1031153
_cell_length_b 6.103115300000001
_cell_length_c 6.1031153
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle_gamma 89.24758957
_space_group_n... | data_image0
_chemical_formula_structural Ti4Zn2O8Ti4Zn2O8Ti4Zn2O8Ti4Zn2O8Ti4Zn2O8Ti4Zn2O8
_chemical_formula_sum "Ti24 Zn12 O48"
_cell_length_a 6.1031153
_cell_length_b 18.3093459
_cell_length_c 12.2062306
_cell_angle_alpha 121.13934974
_cell_angle_beta 119.7363984
_cell_angle... |
SuperCellAction | de7110ea-f287-463d-9822-a3b70a68438c | mp-543011 | Create a supercell with the size 1*1*3. | data_image0
_chemical_formula_structural Zn7S7
_chemical_formula_sum "Zn7 S7"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 22.15738081
_cell_angle_alpha 9.99203003000004
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.992031460000021
_space_... | data_image0
_chemical_formula_structural Zn7S7Zn7S7Zn7S7
_chemical_formula_sum "Zn21 S21"
_cell_length_a 22.15738029
_cell_length_b 22.15738029
_cell_length_c 66.47214243
_cell_angle_alpha 9.992030030000002
_cell_angle_beta 9.992030030000002
_cell_angle_gamma 9.99203146000... |
SuperCellAction | a51d296d-c33b-45a5-8ee4-1346e677a49a | mp-1029915 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Ca8Sn4N8
_chemical_formula_sum "Ca8 Sn4 N8"
_cell_length_a 6.19494953
_cell_length_b 6.19494953
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.08566149
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ca8Sn4N8Ca8Sn4N8Ca8Sn4N8Ca8Sn4N8Ca8Sn4N8Ca8Sn4N8
_chemical_formula_sum "Ca48 Sn24 N48"
_cell_length_a 12.38989906
_cell_length_b 18.58484859
_cell_length_c 12.130428
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131... |
SuperCellAction | 6854a198-c454-41e6-9646-14d1fc7c60e4 | mp-760977 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 4.68898674
_cell_length_b 4.68906755
_cell_length_c 9.283474999999997
_cell_angle_alpha 90.00154264
_cell_angle_beta 89.99872225
_cell_angle_gamma 89.21634516
_space_group_... | data_image0
_chemical_formula_structural Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10Ni6O2F10
_chemical_formula_sum "Ni48 O16 F80"
_cell_length_a 9.37797348
_cell_length_b 4.68906755
_cell_length_c 37.13389999999999
_cell_angle_alpha 90.00154264
_cell_angle_beta 8... |
SuperCellAction | 3a0734d0-2ae6-4795-8704-e68ac56a42b2 | mp-1209044 | Create a supercell with the size 3 by 1 by 2. | data_image0
_chemical_formula_structural Sc20Sb12
_chemical_formula_sum "Sc20 Sb12"
_cell_length_a 7.61616863
_cell_length_b 8.76414466
_cell_length_c 11.17943473
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12Sc20Sb12
_chemical_formula_sum "Sc120 Sb72"
_cell_length_a 22.84850589
_cell_length_b 8.76414466
_cell_length_c 22.35886946
_cell_angle_alpha 90.0
_cell_angle_beta 90.00107002
_cell_angle_gamma ... |
SuperCellAction | 8570b469-feb5-4ef7-a624-bc84d18de317 | mp-675770 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Nd3U2O10
_chemical_formula_sum "Nd3 U2 O10"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 8.478072710000001
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_angle_gamma 49.08860705999... | data_image0
_chemical_formula_structural Nd3U2O10Nd3U2O10Nd3U2O10Nd3U2O10
_chemical_formula_sum "Nd12 U8 O40"
_cell_length_a 6.5796035
_cell_length_b 6.5796035
_cell_length_c 33.912290840000004
_cell_angle_alpha 51.801004170000006
_cell_angle_beta 51.801004170000006
_cell_ang... |
SuperCellAction | 852882aa-d809-4eff-9272-ec502c0f0042 | mp-1147737 | Create a supercell with the size 2 by 2 by 1. | data_image0
_chemical_formula_structural Li4ZnP2S8
_chemical_formula_sum "Li4 Zn1 P2 S8"
_cell_length_a 5.784305
_cell_length_b 6.23957908
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_gamma 62.53240826
_space_gro... | data_image0
_chemical_formula_structural Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8Li4ZnP2S8
_chemical_formula_sum "Li16 Zn4 P8 S32"
_cell_length_a 11.56861
_cell_length_b 12.47915816
_cell_length_c 10.197389130000001
_cell_angle_alpha 79.85876685
_cell_angle_beta 73.96717925
_cell_angle_ga... |
SuperCellAction | 61d0c771-518e-446a-a1f6-e819d72b1253 | mp-693620 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K2 Ca4 Be4 Al2 Si24 O60"
_cell_length_a 10.47966448
_cell_length_b 10.47966448
_cell_length_c 14.094663
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.96705842
_space_gr... | data_image0
_chemical_formula_structural K2Ca4Be4Al2Si24O60K2Ca4Be4Al2Si24O60K2Ca4Be4Al2Si24O60K2Ca4Be4Al2Si24O60K2Ca4Be4Al2Si24O60K2Ca4Be4Al2Si24O60
_chemical_formula_sum "K12 Ca24 Be24 Al12 Si144 O360"
_cell_length_a 20.95932896
_cell_length_b 31.43899344
_cell_length_c 14.094663
... |
SuperCellAction | 2016f9c4-6558-4da4-9335-baf2d4282432 | mp-1573889 | Create a supercell with the size 2X3X1. | data_image0
_chemical_formula_structural Na8Fe4O12
_chemical_formula_sum "Na8 Fe4 O12"
_cell_length_a 5.39118514
_cell_length_b 10.9576286
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.00086546000001
_cell_angle_gamma 85.12197187999999
... | data_image0
_chemical_formula_structural Na8Fe4O12Na8Fe4O12Na8Fe4O12Na8Fe4O12Na8Fe4O12Na8Fe4O12
_chemical_formula_sum "Na48 Fe24 O72"
_cell_length_a 10.78237028
_cell_length_b 32.87288579999999
_cell_length_c 5.39117953
_cell_angle_alpha 94.87793644999999
_cell_angle_beta 60.... |
SuperCellAction | 6f9bb6a6-4354-4719-9720-0670297e27ef | mp-1203061 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Tc8F32
_chemical_formula_sum "Tc8 F32"
_cell_length_a 5.3816679
_cell_length_b 9.33728238
_cell_length_c 11.21256405
_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 Tc8F32Tc8F32Tc8F32Tc8F32Tc8F32Tc8F32
_chemical_formula_sum "Tc48 F192"
_cell_length_a 16.1450037
_cell_length_b 18.67456476
_cell_length_c 11.21256405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
SuperCellAction | 12bdc71d-c36f-4091-831f-f1ee0bff10d0 | mp-2231186 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb2 Mg1 Mo2 P2 Cl2 O10"
_cell_length_a 6.67572734
_cell_length_b 6.67572734
_cell_length_c 7.605368190000001
_cell_angle_alpha 97.32842016
_cell_angle_beta 82.67157984
_cell_angle_gamma 87.974... | data_image0
_chemical_formula_structural Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10Rb2MgMo2P2Cl2O10
_chemical_formula_sum "Rb16 Mg8 Mo16 P16 Cl16 O80"
_cell_length_a 13.35145468
_cell_length_b 6.67572734
_cell_length_c ... |
SuperCellAction | b639789f-f2a7-441e-8d70-f12b0ecbafd2 | mp-761710 | Create a supercell with the size 2x3x1. | data_image0
_chemical_formula_structural Li2Fe2Co2O8
_chemical_formula_sum "Li2 Fe2 Co2 O8"
_cell_length_a 5.84785554
_cell_length_b 5.847855770000001
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta 119.157337
_cell_angle_gamma 59.184920010000006
... | data_image0
_chemical_formula_structural Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8Li2Fe2Co2O8
_chemical_formula_sum "Li12 Fe12 Co12 O48"
_cell_length_a 11.69571108
_cell_length_b 17.54356731
_cell_length_c 5.84785554
_cell_angle_alpha 89.97011905
_cell_angle_beta ... |
SuperCellAction | 3c1b117c-93f9-4bb2-90aa-d047563491ee | mp-1746 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Mg4F8
_chemical_formula_sum "Mg4 F8"
_cell_length_a 5.012339
_cell_length_b 5.012339
_cell_length_c 5.012339
_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 Mg4F8Mg4F8
_chemical_formula_sum "Mg8 F16"
_cell_length_a 10.024678
_cell_length_b 5.012339
_cell_length_c 5.012339
_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... |
SuperCellAction | 38481cb4-0066-447d-a865-22ea8a69fec5 | mp-1228452 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba3 Ti3 Fe3 Bi2 O18"
_cell_length_a 5.63716603
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000038999998
_space_group... | data_image0
_chemical_formula_structural Ba3Ti3Fe3Bi2O18Ba3Ti3Fe3Bi2O18
_chemical_formula_sum "Ba6 Ti6 Fe6 Bi4 O36"
_cell_length_a 11.27433206
_cell_length_b 5.63716603
_cell_length_c 13.886766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.000000389999... |
SuperCellAction | 16cc7ea3-3257-4352-932a-142c3b7f322e | mp-28802 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Sr4Zn3F14
_chemical_formula_sum "Sr4 Zn3 F14"
_cell_length_a 6.75415152
_cell_length_b 6.75415767
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma 119.99806076000002
_space_grou... | data_image0
_chemical_formula_structural Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14Sr4Zn3F14
_chemical_formula_sum "Sr16 Zn12 F56"
_cell_length_a 13.50830304
_cell_length_b 13.50831534
_cell_length_c 7.12313619
_cell_angle_alpha 89.99988321
_cell_angle_beta 89.99985789
_cell_angle_gamma ... |
SuperCellAction | e09b5292-0b98-46da-b0ef-ca29b5bef986 | mp-754293 | Create a supercell with the size 1 by 3 by 1. | data_image0
_chemical_formula_structural Co6O4F8
_chemical_formula_sum "Co6 O4 F8"
_cell_length_a 4.582993
_cell_length_b 5.659017
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Co6O4F8Co6O4F8Co6O4F8
_chemical_formula_sum "Co18 O12 F24"
_cell_length_a 4.582993
_cell_length_b 16.977051000000003
_cell_length_c 7.73275339
_cell_angle_alpha 87.86569851
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | 8b61666c-652e-4369-91e1-e13233c5ec35 | mp-752419 | Create a supercell with the size 1*3*2. | 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 Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16Sr4Ca4I16
_chemical_formula_sum "Sr24 Ca24 I96"
_cell_length_a 10.902408
_cell_length_b 29.495483999999998
_cell_length_c 22.72336264
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cel... |
SuperCellAction | f0e66789-59d6-4452-a81a-33716ac2d79d | mp-28251 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Ta4Zn6O16
_chemical_formula_sum "Ta4 Zn6 O16"
_cell_length_a 6.11858135
_cell_length_b 6.11857964
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gamma 86.94086499
_space_grou... | data_image0
_chemical_formula_structural Ta4Zn6O16Ta4Zn6O16Ta4Zn6O16Ta4Zn6O16
_chemical_formula_sum "Ta16 Zn24 O64"
_cell_length_a 12.2371627
_cell_length_b 12.23715928
_cell_length_c 9.515213199999998
_cell_angle_alpha 71.39814522
_cell_angle_beta 71.39813469
_cell_angle_gam... |
SuperCellAction | 0dea1933-a60d-4ead-8fc8-10b0d5eceb56 | mp-1045008 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7Ba2AlW3O7
_chemical_formula_sum "Ba8 Al4 W12 O28"
_cell_length_a 3.44532
_cell_length_b 16.644844
_cell_length_c 13.564674
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
SuperCellAction | f491c10a-b088-42f5-8447-fcf1ab0ff3cb | mp-1213522 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs16 Rb16 Mo48 P48 O272"
_cell_length_a 19.42317
_cell_length_b 10.998928
_cell_length_c 32.04263186
_cell_angle_alpha 68.56286102
_cell_angle_beta ... |
SuperCellAction | 59dd27f5-648d-48ab-aca8-25b6609959ea | mp-1040411 | Create a supercell with the size 1×2×2. | data_image0
_chemical_formula_structural CsHfMg30O31
_chemical_formula_sum "Cs1 Hf1 Mg30 O31"
_cell_length_a 8.66402699
_cell_length_b 8.77212617
_cell_length_c 8.770686989999998
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999999
_cell_angle_gamma 90.00112454
... | data_image0
_chemical_formula_structural CsHfMg30O31CsHfMg30O31CsHfMg30O31CsHfMg30O31
_chemical_formula_sum "Cs4 Hf4 Mg120 O124"
_cell_length_a 8.66402699
_cell_length_b 17.54425234
_cell_length_c 17.541373979999996
_cell_angle_alpha 89.9996359
_cell_angle_beta 89.99991935999... |
SuperCellAction | 8534ccb9-0fa6-4a48-a7f7-09c5d763962c | mp-1201281 | Create a supercell with the size 1×4×1. | 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 Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28
_chemical_formula_sum "Cs16 Np16 Mo16 O112"
_cell_length_a 8.198976
_cell_length_b 37.794276
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90... |
SuperCellAction | 1b054dd2-e375-46de-9358-a1bc7d5dd0c4 | mp-754915 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Na2Fe2O6
_chemical_formula_sum "Na2 Fe2 O6"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 6.02608011
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_group_name... | data_image0
_chemical_formula_structural Na2Fe2O6Na2Fe2O6
_chemical_formula_sum "Na4 Fe4 O12"
_cell_length_a 5.0819733
_cell_length_b 5.081823
_cell_length_c 12.05216022
_cell_angle_alpha 65.06173316
_cell_angle_beta 89.99959398000001
_cell_angle_gamma 59.99876032
_space_... |
SuperCellAction | a3348bd1-26e5-4db8-baa0-fcd54a2a98e2 | mp-1193985 | Create a supercell with the size 1*2*4. | 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 Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6Ta2Co21B6
_chemical_formula_sum "Ta16 Co168 B48"
_cell_length_a 7.42278272
_cell_length_b 14.84556544
_cell_length_c 29.69113088
_cell_angle_alpha 59.99999999999999
_cell_angle... |
SuperCellAction | 4058905d-2c5d-4490-bc80-6421063254db | mp-1042619 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12MgCu3Sn4O12
_chemical_formula_sum "Mg8 Cu24 Sn32 O96"
_cell_length_a 6.68046281
_cell_length_b 26.72185124
_cell_length_c 13.36092562
_cell_angle_alpha 109.471220... |
SuperCellAction | 33c53039-30a8-4d5d-bdaa-c2dd5f772897 | mp-1226835 | Create a supercell with the size 1×3×2. | 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 Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2Ce4Al6Ru2
_chemical_formula_sum "Ce24 Al36 Ru12"
_cell_length_a 5.57111515
_cell_length_b 16.71334545
_cell_length_c 17.549664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 2a4a0ba2-ff77-4cf5-b527-c4f878cba0bc | mp-7152 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6"
_cell_length_a 3.946362
_cell_length_b 8.38487027
_cell_length_c 10.286295
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.61086135
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6Cs2Zr2Cu2Se6
_chemical_formula_sum "Cs8 Zr8 Cu8 Se24"
_cell_length_a 3.946362
_cell_length_b 16.76974054
_cell_length_c 20.57259
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.... |
SuperCellAction | 8ed018a9-be65-4ee7-947e-0af7b4093f3d | mp-768946 | Create a supercell with the size 1*3*1. | data_image0
_chemical_formula_structural Li8Cr6Co2O16
_chemical_formula_sum "Li8 Cr6 Co2 O16"
_cell_length_a 5.08422505
_cell_length_b 10.24775626
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle_gamma 80.49168511
_space_gro... | data_image0
_chemical_formula_structural Li8Cr6Co2O16Li8Cr6Co2O16Li8Cr6Co2O16
_chemical_formula_sum "Li24 Cr18 Co6 O48"
_cell_length_a 5.08422505
_cell_length_b 30.743268779999998
_cell_length_c 5.87238314
_cell_angle_alpha 73.37294484
_cell_angle_beta 90.01373118
_cell_angle... |
SuperCellAction | de52e819-bcf3-4895-8982-2456be60fa2e | mp-1180605 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Na2Al2S4O38
_chemical_formula_sum "Na2 Al2 S4 O38"
_cell_length_a 11.55504909
_cell_length_b 11.55504909
_cell_length_c 8.29750683
_cell_angle_alpha 87.88790446000002
_cell_angle_beta 87.88790446000002
_cell_angle_gamma 44.456240189... | data_image0
_chemical_formula_structural Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38Na2Al2S4O38
_chemical_formula_sum "Na12 Al12 S24 O228"
_cell_length_a 11.55504909
_cell_length_b 23.11009818
_cell_length_c 24.89252049
_cell_angle_alpha 87.88790446000002
_cell_angle_... |
SuperCellAction | 638e8d88-699e-40d7-86d5-a2b29984ad28 | mp-754936 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Dy2Al2O6
_chemical_formula_sum "Dy2 Al2 O6"
_cell_length_a 5.23705629
_cell_length_b 5.23705629
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91956114
_cell_angle_gamma 60.91956644
_space_group_name_H-... | data_image0
_chemical_formula_structural Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6Dy2Al2O6
_chemical_formula_sum "Dy16 Al16 O48"
_cell_length_a 20.94822516
_cell_length_b 10.47411258
_cell_length_c 5.23705661
_cell_angle_alpha 60.91956114
_cell_angle_beta 60.91... |
SuperCellAction | ebec5172-2d89-4e1a-a633-57ae0e254ab5 | mp-1200529 | Create a supercell with the size 2×1×4. | data_image0
_chemical_formula_structural Cu4As4Pb4O20
_chemical_formula_sum "Cu4 As4 Pb4 O20"
_cell_length_a 6.049413
_cell_length_b 8.473073
_cell_length_c 8.958571
_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 Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20Cu4As4Pb4O20
_chemical_formula_sum "Cu32 As32 Pb32 O160"
_cell_length_a 12.098826
_cell_length_b 8.473073
_cell_length_c 35.834284
_cell_angle_alpha 90.0
_... |
SuperCellAction | a0c3b841-c251-4ee7-80b9-c0173495b8c7 | mp-542449 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Sc5Cl8
_chemical_formula_sum "Sc5 Cl8"
_cell_length_a 3.56970842
_cell_length_b 9.51391888
_cell_length_c 9.733746090000002
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14940743
_space_group_name_... | data_image0
_chemical_formula_structural Sc5Cl8Sc5Cl8Sc5Cl8Sc5Cl8Sc5Cl8Sc5Cl8
_chemical_formula_sum "Sc30 Cl48"
_cell_length_a 7.13941684
_cell_length_b 9.51391888
_cell_length_c 29.20123827
_cell_angle_alpha 88.02303824
_cell_angle_beta 79.45927861
_cell_angle_gamma 79.14... |
SuperCellAction | a1f516d2-c82c-407f-ac3e-bcb886404bcf | mp-22106 | Create a supercell with the size 1x4x2. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12Nd4Ni4O12
_chemical_formula_sum "Nd32 Ni32 O96"
_cell_length_a 5.38376377
_cell_length_b 21.55431184
_cell_length_c 15.209022
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | 7e23c890-2134-4bec-9ef2-064b44f17206 | mp-759390 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48Li12Bi8P12O48
_chemical_formula_sum "Li72 Bi48 P72 O288"
_cell_length_a 28.349705999999998
_cell_length_b 8.813636
_cell_length_c 25.7060221
_cell_angle_alpha 81.95434423
_ce... |
SuperCellAction | 573d6829-1eba-41c1-a749-814438a06e55 | mp-780531 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural Na12Mn12O32
_chemical_formula_sum "Na12 Mn12 O32"
_cell_length_a 8.769133
_cell_length_b 8.769133
_cell_length_c 8.769133
_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 Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32Na12Mn12O32
_chemical_formula_sum "Na96 Mn96 O256"
_cell_length_a 17.538266
_cell_length_b 8.769133
_cell_length_c 35.076532
_cell_angle_alpha 90.0
_cell_angle_be... |
SuperCellAction | cbdba88c-a0f9-4c68-b188-94e38f984aa8 | mp-1225344 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14
_chemical_formula_sum "Dy4 Mn2 Sb2 O14"
_cell_length_a 7.32090987
_cell_length_b 7.320909870000001
_cell_length_c 7.3209098699999995
_cell_angle_alpha 121.66856854000002
_cell_angle_beta 118.61004259
_cell_angle_gamma 8... | data_image0
_chemical_formula_structural Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14Dy4Mn2Sb2O14
_chemical_formula_sum "Dy32 Mn16 Sb16 O112"
_cell_length_a 14.64181974
_cell_length_b 29.283639480000005
_cell_length_c 7.3209098699999995
_cell_... |
SuperCellAction | a0b0ce3e-4966-4132-94ee-dbd72d81970b | mp-1522797 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural BaTiNbGaO6
_chemical_formula_sum "Ba1 Ti1 Nb1 Ga1 O6"
_cell_length_a 5.71715084
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 60.00000000... | data_image0
_chemical_formula_structural BaTiNbGaO6BaTiNbGaO6
_chemical_formula_sum "Ba2 Ti2 Nb2 Ga2 O12"
_cell_length_a 11.43430168
_cell_length_b 5.71715084
_cell_length_c 5.71715084
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 60.00000000000001
_cell_angle_gamma ... |
SuperCellAction | 79478ff1-f939-4301-8dab-b6e83f927548 | mp-2426125 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural Mg18Sn10
_chemical_formula_sum "Mg18 Sn10"
_cell_length_a 8.88839894
_cell_length_b 8.888398940000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.87516981
_space_g... | data_image0
_chemical_formula_structural Mg18Sn10Mg18Sn10Mg18Sn10
_chemical_formula_sum "Mg54 Sn30"
_cell_length_a 8.88839894
_cell_length_b 26.665196820000002
_cell_length_c 8.88839933
_cell_angle_alpha 96.87517038
_cell_angle_beta 96.87517036999999
_cell_angle_gamma 96.8... |
SuperCellAction | 0dc8e7f5-eba5-4dc0-b244-67daa80e0017 | mp-3073 | Create a supercell with the size 4 by 2 by 1. | data_image0
_chemical_formula_structural Sm4Te8O22
_chemical_formula_sum "Sm4 Te8 O22"
_cell_length_a 6.78496314
_cell_length_b 6.78496314
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta 75.59757158
_cell_angle_gamma 45.011500870000006
_space_gro... | data_image0
_chemical_formula_structural Sm4Te8O22Sm4Te8O22Sm4Te8O22Sm4Te8O22Sm4Te8O22Sm4Te8O22Sm4Te8O22Sm4Te8O22
_chemical_formula_sum "Sm32 Te64 O176"
_cell_length_a 27.13985256
_cell_length_b 13.56992628
_cell_length_c 16.25884552
_cell_angle_alpha 75.59757158
_cell_angle_beta... |
SuperCellAction | 0b581f4e-da07-4301-981d-b6dadb45dd10 | mp-1043368 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural V4Zn4Ge8O24
_chemical_formula_sum "V4 Zn4 Ge8 O24"
_cell_length_a 9.385584
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural V4Zn4Ge8O24V4Zn4Ge8O24V4Zn4Ge8O24
_chemical_formula_sum "V12 Zn12 Ge24 O72"
_cell_length_a 28.156751999999997
_cell_length_b 5.531833
_cell_length_c 9.84020205
_cell_angle_alpha 77.2231305
_cell_angle_beta 90.0
_cell_angle_gamma 90.... |
SuperCellAction | 09508357-bddd-41d4-bb78-4a21db993892 | mp-698134 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20
_chemical_formula_sum "K4 Na4 Sb4 H12 O6 F20"
_cell_length_a 17.902519
_cell_length_b 6.153828
_cell_length_c 6.1553536
_cell_angle_alpha 89.39108713999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... | data_image0
_chemical_formula_structural K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20K4Na4Sb4H12O6F20
_chemical_formula_sum "K24 Na24 Sb24 H72 O36 F120"
_cell_length_a 35.805038
_cell_length_b 6.153828
_cell_length_c 18.466060799999997
_cell_angle... |
SuperCellAction | a048cda4-d04c-42c1-97d5-df8f65302c4e | mp-1516503 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural KHfNbInO6
_chemical_formula_sum "K1 Hf1 Nb1 In1 O6"
_cell_length_a 5.78982912
_cell_length_b 5.78982912
_cell_length_c 5.78982912
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... | data_image0
_chemical_formula_structural KHfNbInO6KHfNbInO6KHfNbInO6KHfNbInO6KHfNbInO6KHfNbInO6KHfNbInO6KHfNbInO6
_chemical_formula_sum "K8 Hf8 Nb8 In8 O48"
_cell_length_a 11.57965824
_cell_length_b 11.57965824
_cell_length_c 11.57965824
_cell_angle_alpha 59.99999999999999
_cell_... |
SuperCellAction | 854bfbfb-ec2f-497c-b504-6030572f2be0 | mp-1105549 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ba4Hf4S12
_chemical_formula_sum "Ba4 Hf4 S12"
_cell_length_a 7.01916792
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_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 Ba4Hf4S12Ba4Hf4S12Ba4Hf4S12
_chemical_formula_sum "Ba12 Hf12 S36"
_cell_length_a 21.05750376
_cell_length_b 7.04466639
_cell_length_c 9.97598706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | c06fb757-a74f-4945-9c92-24c10e9c17c8 | mp-1193899 | Create a supercell with the size 2X4X1. | data_image0
_chemical_formula_structural Ta8Fe8Si14
_chemical_formula_sum "Ta8 Fe8 Si14"
_cell_length_a 9.22762901
_cell_length_b 9.22762901
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_angle_beta 94.22080954
_cell_angle_gamma 148.51744114999997
_space_gr... | data_image0
_chemical_formula_structural Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14Ta8Fe8Si14
_chemical_formula_sum "Ta64 Fe64 Si112"
_cell_length_a 18.45525802
_cell_length_b 36.91051604
_cell_length_c 9.22762901
_cell_angle_alpha 94.22080954
_cell_an... |
SuperCellAction | a63ff858-e7cf-4211-a832-857505909c2a | mp-1216402 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Y2U4B24Rh24
_chemical_formula_sum "Y2 U4 B24 Rh24"
_cell_length_a 5.335617
_cell_length_b 5.335617
_cell_length_c 22.517084
_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 Y2U4B24Rh24Y2U4B24Rh24Y2U4B24Rh24Y2U4B24Rh24
_chemical_formula_sum "Y8 U16 B96 Rh96"
_cell_length_a 5.335617
_cell_length_b 10.671234
_cell_length_c 45.034168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
SuperCellAction | 37b28767-b79e-49df-99a0-2bdccd79a86d | mp-555792 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Na2Os4O12
_chemical_formula_sum "Na2 Os4 O12"
_cell_length_a 7.20794247
_cell_length_b 7.20794247
_cell_length_c 7.20794247
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Na2Os4O12Na2Os4O12Na2Os4O12Na2Os4O12
_chemical_formula_sum "Na8 Os16 O48"
_cell_length_a 14.41588494
_cell_length_b 7.20794247
_cell_length_c 14.41588494
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angl... |
SuperCellAction | 1b0989a0-2777-4bd6-9ecb-346368663605 | mp-613620 | Create a supercell with the size 4X2X1. | data_image0
_chemical_formula_structural Rh16O24
_chemical_formula_sum "Rh16 O24"
_cell_length_a 5.16383549
_cell_length_b 5.4518602
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cell_angle_gamma 89.99997548
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24Rh16O24
_chemical_formula_sum "Rh128 O192"
_cell_length_a 20.65534196
_cell_length_b 10.9037204
_cell_length_c 14.75820022
_cell_angle_alpha 89.99988639
_cell_angle_beta 90.00004483
_cel... |
SuperCellAction | f76da6a9-22cc-4959-a247-96251fe3d2ae | mp-1195683 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Na10Lu2H8C8O28
_chemical_formula_sum "Na10 Lu2 H8 C8 O28"
_cell_length_a 7.645634
_cell_length_b 7.645634
_cell_length_c 11.670033
_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 Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28Na10Lu2H8C8O28
_chemical_formula_sum "Na80 Lu16 H64 C64 O224"
_cell_length_a 7.645634
_cell_length_b 15.291268
_cell_length_c 46.680132
_cell_an... |
SuperCellAction | 330cdb98-decd-487b-a550-6a09498d3ba1 | mp-753883 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural La4Bi2O9
_chemical_formula_sum "La4 Bi2 O9"
_cell_length_a 5.848957
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999
_space_g... | data_image0
_chemical_formula_structural La4Bi2O9La4Bi2O9
_chemical_formula_sum "La8 Bi4 O18"
_cell_length_a 11.697914
_cell_length_b 5.85465833
_cell_length_c 9.236225210000002
_cell_angle_alpha 107.93200039
_cell_angle_beta 93.52215625
_cell_angle_gamma 91.30189329999999... |
SuperCellAction | 8555c6d3-7315-4950-9409-b2f96872e5f1 | mp-1031226 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural RbMg6TiO8
_chemical_formula_sum "Rb1 Mg6 Ti1 O8"
_cell_length_a 8.65829641
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_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 RbMg6TiO8RbMg6TiO8
_chemical_formula_sum "Rb2 Mg12 Ti2 O16"
_cell_length_a 17.31659282
_cell_length_b 4.61044527
_cell_length_c 4.61044527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 67ef039d-597f-4e1f-b868-0f982fedc242 | mp-1238897 | Create a supercell with the size 2x1x2. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16Ti4Cr4Ag4S16Ti4Cr4Ag4S16Ti4Cr4Ag4S16
_chemical_formula_sum "Ti16 Cr16 Ag16 S64"
_cell_length_a 12.95123
_cell_length_b 7.69109295
_cell_length_c 25.70270938
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_a... |
SuperCellAction | 00a74227-6c40-47be-ac38-f5734ad3c03a | mp-1182886 | Create a supercell with the size 4×1×2. | data_image0
_chemical_formula_structural Al8O24
_chemical_formula_sum "Al8 O24"
_cell_length_a 5.430238
_cell_length_b 8.937896
_cell_length_c 12.15981255
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al8O24Al8O24Al8O24Al8O24Al8O24Al8O24Al8O24Al8O24
_chemical_formula_sum "Al64 O192"
_cell_length_a 21.720952
_cell_length_b 8.937896
_cell_length_c 24.3196251
_cell_angle_alpha 49.744131579999994
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 9273804c-f12d-4c43-803f-ea5061c0d34b | mp-780571 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Li6Mn8B8O24
_chemical_formula_sum "Li6 Mn8 B8 O24"
_cell_length_a 6.192752
_cell_length_b 9.07713544
_cell_length_c 9.67224295
_cell_angle_alpha 78.03873525
_cell_angle_beta 80.14275177
_cell_angle_gamma 72.81904888000001
_space_gr... | data_image0
_chemical_formula_structural Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24Li6Mn8B8O24
_chemical_formula_sum "Li48 Mn64 B64 O192"
_cell_length_a 24.771008
_cell_length_b 9.07713544
_cell_length_c 19.3444859
_cell_angle_alpha 78.03873525
... |
SuperCellAction | 0892468c-c05a-4e56-8595-bc0ff0ea1095 | mp-1210244 | Create a supercell with the size 4x1x2. | data_image0
_chemical_formula_structural Pr46Mg8Pt14
_chemical_formula_sum "Pr46 Mg8 Pt14"
_cell_length_a 10.22769297
_cell_length_b 10.227692969999998
_cell_length_c 23.10771016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000229
_space_group_name... | data_image0
_chemical_formula_structural Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14Pr46Mg8Pt14
_chemical_formula_sum "Pr368 Mg64 Pt112"
_cell_length_a 40.91077188
_cell_length_b 10.227692969999998
_cell_length_c 46.21542032
_cell_angle_alpha 90.... |
SuperCellAction | 054ed17a-b7a1-413d-aa43-d19c5758b944 | mp-1094113 | Create a supercell with the size 2 by 3 by 1. | data_image0
_chemical_formula_structural Na4V8P8O36
_chemical_formula_sum "Na4 V8 P8 O36"
_cell_length_a 6.453138
_cell_length_b 7.676809
_cell_length_c 14.065464
_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 Na4V8P8O36Na4V8P8O36Na4V8P8O36Na4V8P8O36Na4V8P8O36Na4V8P8O36
_chemical_formula_sum "Na24 V48 P48 O216"
_cell_length_a 12.906276
_cell_length_b 23.030427000000003
_cell_length_c 14.065464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_ce... |
SuperCellAction | b94ca530-e52a-4786-a397-8c883cb42505 | mp-1192032 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4
_chemical_formula_sum "Na1 Sr3 Be3 B3 O9 F4"
_cell_length_a 6.76163682
_cell_length_b 6.761636819999999
_cell_length_c 6.76163698
_cell_angle_alpha 103.68584915
_cell_angle_beta 103.68584915
_cell_angle_gamma 103.6858... | data_image0
_chemical_formula_structural NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4NaSr3Be3B3O9F4
_chemical_formula_sum "Na6 Sr18 Be18 B18 O54 F24"
_cell_length_a 6.76163682
_cell_length_b 20.284910459999995
_cell_length_c 13.52327396
_cell_angle_alpha ... |
SuperCellAction | ca160a0a-256d-4367-ba66-86b09be2545d | mp-2232164 | Create a supercell with the size 4X1X2. | data_image0
_chemical_formula_structural MgMn4Ni2O8
_chemical_formula_sum "Mg1 Mn4 Ni2 O8"
_cell_length_a 6.19030256
_cell_length_b 6.19030258
_cell_length_c 6.5341021
_cell_angle_alpha 58.14515097000001
_cell_angle_beta 58.14514497
_cell_angle_gamma 59.50659378000001
_sp... | data_image0
_chemical_formula_structural MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8MgMn4Ni2O8
_chemical_formula_sum "Mg8 Mn32 Ni16 O64"
_cell_length_a 24.76121024
_cell_length_b 6.19030258
_cell_length_c 13.0682042
_cell_angle_alpha 58.14515097000001
_... |
SuperCellAction | 8f92c7ee-977d-466b-911d-d431d5e60b17 | mp-1223746 | Create a supercell with the size 2x1x3. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13InSb3Pb4O13
_chemical_formula_sum "In6 Sb18 Pb24 O78"
_cell_length_a 15.17230306
_cell_length_b 7.58615153
_cell_length_c 22.75845294
_cell_angle_alpha 60.33834119000001
_cell_angle_be... |
SuperCellAction | e593deb2-5ab9-4a44-9dee-7327fdfedf35 | mp-1045731 | Create a supercell with the size 3X1X1. | 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 Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56Ca8Sb8As16Se8O56
_chemical_formula_sum "Ca24 Sb24 As48 Se24 O168"
_cell_length_a 33.12695814
_cell_length_b 13.262266809999998
_cell_length_c 13.259987380000002
_cell_angle_alpha 80.0333665
_cell_angle_beta ... |
SuperCellAction | aacd89ee-1e08-4b07-887c-c746669deec3 | mp-11726 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural La2Si8Ni18
_chemical_formula_sum "La2 Si8 Ni18"
_cell_length_a 7.9671485
_cell_length_b 7.9671485
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_angle_beta 121.00716574
_cell_angle_gamma 88.26421403
_space_grou... | data_image0
_chemical_formula_structural La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18La2Si8Ni18
_chemical_formula_sum "La16 Si64 Ni144"
_cell_length_a 31.868594
_cell_length_b 15.934297
_cell_length_c 7.9671485
_cell_angle_alpha 121.00716573999998
_cell_... |
SuperCellAction | 541c7e19-f71d-4c76-9728-1ed3ee52ba74 | mp-567505 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8Si8C8Si8C8Si8C8Si8C8Si8C8
_chemical_formula_sum "Si48 C48"
_cell_length_a 3.07718443
_cell_length_b 6.154365939999999
_cell_length_c 60.37689405
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_spac... |
SuperCellAction | 78e73334-f8c3-4d34-8b2d-ad71fe5308df | mp-557006 | Create a supercell with the size 3x1x1. | 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 Na8Sb4S4O16F12Na8Sb4S4O16F12Na8Sb4S4O16F12
_chemical_formula_sum "Na24 Sb12 S12 O48 F36"
_cell_length_a 24.77044737
_cell_length_b 8.25681579
_cell_length_c 11.02966494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 8c50c85b-6036-4a97-a511-c2e2e682ad43 | mp-1246483 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Li12Re2N8
_chemical_formula_sum "Li12 Re2 N8"
_cell_length_a 6.739893
_cell_length_b 6.739893
_cell_length_c 4.877962
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Li12Re2N8Li12Re2N8Li12Re2N8Li12Re2N8
_chemical_formula_sum "Li48 Re8 N32"
_cell_length_a 6.739893
_cell_length_b 13.479786
_cell_length_c 9.755924
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
SuperCellAction | 95b57f48-2833-41fd-a670-2be8aec2f61c | mp-1200471 | Create a supercell with the size 1*3*2. | data_image0
_chemical_formula_structural CsV3B2P4H8O22
_chemical_formula_sum "Cs1 V3 B2 P4 H8 O22"
_cell_length_a 10.54751473
_cell_length_b 10.54751473
_cell_length_c 5.1309377199999995
_cell_angle_alpha 80.72800578
_cell_angle_beta 80.72800578
_cell_angle_gamma 125.37907... | data_image0
_chemical_formula_structural CsV3B2P4H8O22CsV3B2P4H8O22CsV3B2P4H8O22CsV3B2P4H8O22CsV3B2P4H8O22CsV3B2P4H8O22
_chemical_formula_sum "Cs6 V18 B12 P24 H48 O132"
_cell_length_a 10.54751473
_cell_length_b 31.642544190000002
_cell_length_c 10.261875439999999
_cell_angle_alpha ... |
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