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 | 833b2c23-2987-4aa1-9bdd-0b5838f5453c | mp-989179 | Create a supercell with the size 1x1x4. | data_image0
_chemical_formula_structural Mo8H2S16
_chemical_formula_sum "Mo8 H2 S16"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 29.668735
_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 Mo8H2S16Mo8H2S16Mo8H2S16Mo8H2S16
_chemical_formula_sum "Mo32 H8 S64"
_cell_length_a 3.144754
_cell_length_b 13.034438
_cell_length_c 118.67494
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | c96302e9-4061-4f1c-b9fd-fbc53391eba9 | mp-1244962 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Mg40O40
_chemical_formula_sum "Mg40 O40"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 10.174512770000002
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
_space_... | data_image0
_chemical_formula_structural Mg40O40Mg40O40
_chemical_formula_sum "Mg80 O80"
_cell_length_a 10.36242297
_cell_length_b 9.006326130000001
_cell_length_c 20.349025540000003
_cell_angle_alpha 96.13607717
_cell_angle_beta 88.32727291
_cell_angle_gamma 90.70177381
... |
SuperCellAction | c2c7358b-39ed-4ec7-ace4-7c83277f096d | mp-766138 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural Li6Fe4P4O20
_chemical_formula_sum "Li6 Fe4 P4 O20"
_cell_length_a 6.44122171
_cell_length_b 6.44122171
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70847916999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li6Fe4P4O20Li6Fe4P4O20Li6Fe4P4O20Li6Fe4P4O20
_chemical_formula_sum "Li24 Fe16 P16 O80"
_cell_length_a 6.44122171
_cell_length_b 25.76488684
_cell_length_c 8.691184
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.70... |
SuperCellAction | feb859ba-039e-4322-aa4e-4ba37a204c22 | mp-696780 | Create a supercell with the size 2X1X3. | data_image0
_chemical_formula_structural Fe2P4H16O20
_chemical_formula_sum "Fe2 P4 H16 O20"
_cell_length_a 9.748221
_cell_length_b 6.066428
_cell_length_c 8.7510914
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Fe2P4H16O20Fe2P4H16O20Fe2P4H16O20Fe2P4H16O20Fe2P4H16O20Fe2P4H16O20
_chemical_formula_sum "Fe12 P24 H96 O120"
_cell_length_a 19.496442
_cell_length_b 6.066428
_cell_length_c 26.2532742
_cell_angle_alpha 54.75552624
_cell_angle_beta 90.0... |
SuperCellAction | 4faaa39b-23f1-4daa-8bb2-b0cdd080b143 | mp-1666930 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Li10Cr4Co6O20
_chemical_formula_sum "Li10 Cr4 Co6 O20"
_cell_length_a 5.0762398
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_angle_gamma 70... | data_image0
_chemical_formula_structural Li10Cr4Co6O20Li10Cr4Co6O20
_chemical_formula_sum "Li20 Cr8 Co12 O40"
_cell_length_a 10.1524796
_cell_length_b 7.80439641
_cell_length_c 10.159901889999999
_cell_angle_alpha 109.30855762999998
_cell_angle_beta 99.45585543000001
_cell_an... |
SuperCellAction | d7fc7ddc-39b8-4792-8af7-7c101b0292af | mp-29778 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Nd8Ge14
_chemical_formula_sum "Nd8 Ge14"
_cell_length_a 6.03140039
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd8Ge14Nd8Ge14Nd8Ge14
_chemical_formula_sum "Nd24 Ge42"
_cell_length_a 18.094201169999998
_cell_length_b 7.60319809
_cell_length_c 12.06374994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.36803510000001
_space... |
SuperCellAction | 9da154d6-ecd4-40b5-befb-ae59df9c3b16 | mp-23702 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li4H8N4
_chemical_formula_sum "Li4 H8 N4"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 6.17904506
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
_space_g... | data_image0
_chemical_formula_structural Li4H8N4Li4H8N4
_chemical_formula_sum "Li8 H16 N8"
_cell_length_a 4.93582519
_cell_length_b 4.93582403
_cell_length_c 12.35809012
_cell_angle_alpha 113.54069253
_cell_angle_beta 113.54068121000002
_cell_angle_gamma 89.99999577999999
... |
SuperCellAction | 463c7abe-f4cc-4ef9-afde-c1e27aba573d | mp-1208464 | Create a supercell with the size 1 by 3 by 2. | data_image0
_chemical_formula_structural Tb16Mg4Co4
_chemical_formula_sum "Tb16 Mg4 Co4"
_cell_length_a 9.56896751
_cell_length_b 9.56904036
_cell_length_c 9.56899201
_cell_angle_alpha 59.99933482000001
_cell_angle_beta 59.99902591000001
_cell_angle_gamma 59.99920851
_spa... | data_image0
_chemical_formula_structural Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4Tb16Mg4Co4
_chemical_formula_sum "Tb96 Mg24 Co24"
_cell_length_a 9.56896751
_cell_length_b 28.707121080000004
_cell_length_c 19.13798402
_cell_angle_alpha 59.99933482000001
_cell_angle_beta... |
SuperCellAction | 2e5d0ab6-67e8-48f0-a4f7-18d7cd037df4 | mp-1097047 | Create a supercell with the size 1*2*2. | data_image0
_chemical_formula_structural Fe4Cu8B4O20
_chemical_formula_sum "Fe4 Cu8 B4 O20"
_cell_length_a 3.145458
_cell_length_b 9.74670169
_cell_length_c 12.14921419
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_gamma 81.59407378
_space_group_na... | data_image0
_chemical_formula_structural Fe4Cu8B4O20Fe4Cu8B4O20Fe4Cu8B4O20Fe4Cu8B4O20
_chemical_formula_sum "Fe16 Cu32 B16 O80"
_cell_length_a 3.145458
_cell_length_b 19.49340338
_cell_length_c 24.29842838
_cell_angle_alpha 89.4287378
_cell_angle_beta 89.53839224
_cell_angle_... |
SuperCellAction | 1b69e090-a1af-4524-98fd-f41e58b0cfd7 | mp-1516503 | Create a supercell with the size 4 by 1 by 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 23.15931648
_cell_length_b 5.78982912
_cell_length_c 11.57965824
_cell_angle_alpha 59.99999999999999
_cell_a... |
SuperCellAction | 4460a027-184c-4a32-9c2f-272929bcae3d | mp-26956 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural V4P16O48
_chemical_formula_sum "V4 P16 O48"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 12.866543
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural V4P16O48V4P16O48V4P16O48V4P16O48
_chemical_formula_sum "V16 P64 O192"
_cell_length_a 8.410582
_cell_length_b 9.194688
_cell_length_c 51.466172
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
SuperCellAction | 8481927c-d5c9-4683-b5c8-8adab4b291c8 | mp-1245617 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Sr8Cr4N8
_chemical_formula_sum "Sr8 Cr4 N8"
_cell_length_a 6.32990167
_cell_length_b 11.49833427
_cell_length_c 12.449538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 24.734643490000014
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8Sr8Cr4N8
_chemical_formula_sum "Sr64 Cr32 N64"
_cell_length_a 6.32990167
_cell_length_b 22.99666854
_cell_length_c 49.798152
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | 457e75cb-fc77-4317-ad9a-e1555fffe985 | mp-1105068 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7BaYFe4O7BaYFe4O7BaYFe4O7
_chemical_formula_sum "Ba4 Y4 Fe16 O28"
_cell_length_a 6.47491245
_cell_length_b 12.9498249
_cell_length_c 12.949824900000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gam... |
SuperCellAction | 0fade6e7-3613-412f-991c-d1e8bd7ebe52 | mp-2229983 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural MgGe4Bi2O12
_chemical_formula_sum "Mg1 Ge4 Bi2 O12"
_cell_length_a 5.65643612
_cell_length_b 7.5984859600000005
_cell_length_c 7.59848734
_cell_angle_alpha 83.18987735
_cell_angle_beta 76.8823644
_cell_angle_gamma 76.88235691
_spac... | data_image0
_chemical_formula_structural MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12MgGe4Bi2O12
_chemical_formula_sum "Mg8 Ge32 Bi16 O96"
_cell_length_a 11.31287224
_cell_length_b 7.5984859600000005
_cell_length_c 30.39394936
_cell_angle_alpha 83... |
SuperCellAction | dde6600d-81f5-4e68-804f-3065cc569cdb | mp-1320208 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Ba4Y2Cr6O14
_chemical_formula_sum "Ba4 Y2 Cr6 O14"
_cell_length_a 5.62234459
_cell_length_b 12.448562939999999
_cell_length_c 5.6223467
_cell_angle_alpha 102.69537061
_cell_angle_beta 91.54529385000001
_cell_angle_gamma 102.69469371... | data_image0
_chemical_formula_structural Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14Ba4Y2Cr6O14
_chemical_formula_sum "Ba32 Y16 Cr48 O112"
_cell_length_a 22.48937836
_cell_length_b 12.448562939999999
_cell_length_c 11.2446934
_cell_angle_alpha 10... |
SuperCellAction | e64670ee-ec19-49a3-9e42-7459ad94d020 | mp-531064 | Create a supercell with the size 1X3X1. | data_image0
_chemical_formula_structural K8Mo24Br56
_chemical_formula_sum "K8 Mo24 Br56"
_cell_length_a 14.128482
_cell_length_b 14.352916
_cell_length_c 14.393337
_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 K8Mo24Br56K8Mo24Br56K8Mo24Br56
_chemical_formula_sum "K24 Mo72 Br168"
_cell_length_a 14.128482
_cell_length_b 43.058748
_cell_length_c 14.393337
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
SuperCellAction | d38f1799-c76f-492f-a746-1246f9df693d | mp-3380 | Create a supercell with the size 2×2×2. | data_image0
_chemical_formula_structural La4Rh4C8
_chemical_formula_sum "La4 Rh4 C8"
_cell_length_a 3.991291
_cell_length_b 3.991291
_cell_length_c 15.419415
_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 La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8La4Rh4C8
_chemical_formula_sum "La32 Rh32 C64"
_cell_length_a 7.982582
_cell_length_b 7.982582
_cell_length_c 30.83883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | b2841236-85a7-4018-b7b2-74b891c784f9 | mp-1172905 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Ag3Bi3S6
_chemical_formula_sum "Ag3 Bi3 S6"
_cell_length_a 4.04844097
_cell_length_b 4.04844097
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001577
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6Ag3Bi3S6
_chemical_formula_sum "Ag24 Bi24 S48"
_cell_length_a 8.09688194
_cell_length_b 16.19376388
_cell_length_c 19.110277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_ang... |
SuperCellAction | f2a24b8f-a931-4b9f-991d-eca4d79fe487 | mp-1211239 | Create a supercell with the size 3x1x2. | data_image0
_chemical_formula_structural Nd4S6O40
_chemical_formula_sum "Nd4 S6 O40"
_cell_length_a 6.92283015
_cell_length_b 6.92283015
_cell_length_c 20.06569612
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_angle_gamma 60.71262649000001
_space_group_... | data_image0
_chemical_formula_structural Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40Nd4S6O40
_chemical_formula_sum "Nd24 S36 O240"
_cell_length_a 20.76849045
_cell_length_b 6.92283015
_cell_length_c 40.13139224
_cell_angle_alpha 81.47478249
_cell_angle_beta 81.47478249
_cell_ang... |
SuperCellAction | ad8ba00f-59b1-4f95-9f3a-6259053d5e21 | mp-1218449 | Create a supercell with the size 2 by 2 by 2. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12Sr2Ca6Ir2O12
_chemical_formula_sum "Sr16 Ca48 Ir16 O96"
_cell_length_a 13.364716
_cell_length_b 13.364716
_cell_length_c 13.44334848
_cell_angle_alpha 89.1... |
SuperCellAction | 7a5c49fd-b816-4e51-bf98-93b0a13af5eb | mp-557626 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Gd8Ti4O20
_chemical_formula_sum "Gd8 Ti4 O20"
_cell_length_a 3.7458484
_cell_length_b 10.49807509
_cell_length_c 11.34388027
_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 Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20Gd8Ti4O20
_chemical_formula_sum "Gd64 Ti32 O160"
_cell_length_a 3.7458484
_cell_length_b 41.99230036
_cell_length_c 22.68776054
_cell_angle_alpha 90.0
_cell_angle_beta 90.0... |
SuperCellAction | 10d676f3-414f-47e1-90d2-29d7afcc2dd3 | mp-1218759 | Create a supercell with the size 2 by 1 by 2. | data_image0
_chemical_formula_structural Sr2NdTlCu2O7
_chemical_formula_sum "Sr2 Nd1 Tl1 Cu2 O7"
_cell_length_a 3.859695
_cell_length_b 3.873027
_cell_length_c 12.314699
_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 Sr2NdTlCu2O7Sr2NdTlCu2O7Sr2NdTlCu2O7Sr2NdTlCu2O7
_chemical_formula_sum "Sr8 Nd4 Tl4 Cu8 O28"
_cell_length_a 7.71939
_cell_length_b 3.873027
_cell_length_c 24.629398
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0... |
SuperCellAction | 05df68ce-4427-433e-b36c-2d42a218ae94 | mp-1213447 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K1 Ba1 Na1 Ca1 Ti4 Fe8 Si8 O38 F2"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 20.84814459
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural KBaNaCaTi4Fe8Si8O38F2KBaNaCaTi4Fe8Si8O38F2
_chemical_formula_sum "K2 Ba2 Na2 Ca2 Ti8 Fe16 Si16 O76 F4"
_cell_length_a 5.40697631
_cell_length_b 7.10473773
_cell_length_c 41.69628918
_cell_angle_alpha 90.0
_cell_angle_beta 94.25512916
_... |
SuperCellAction | 44500854-c53b-4974-b4d1-965678b799fb | mp-1521703 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural BaZr2SnO6
_chemical_formula_sum "Ba1 Zr2 Sn1 O6"
_cell_length_a 4.2278895
_cell_length_b 4.22779909
_cell_length_c 8.45162975
_cell_angle_alpha 90.0
_cell_angle_beta 90.02101367
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaZr2SnO6BaZr2SnO6BaZr2SnO6BaZr2SnO6BaZr2SnO6BaZr2SnO6BaZr2SnO6BaZr2SnO6
_chemical_formula_sum "Ba8 Zr16 Sn8 O48"
_cell_length_a 4.2278895
_cell_length_b 8.45559818
_cell_length_c 33.806519
_cell_angle_alpha 90.0
_cell_angle_beta 90.02... |
SuperCellAction | 96c89b16-6532-4cd6-b752-f27737608787 | mp-1196464 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Cs4Fe4Ag4F24
_chemical_formula_sum "Cs4 Fe4 Ag4 F24"
_cell_length_a 7.586403
_cell_length_b 7.721376
_cell_length_c 10.868196
_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 Cs4Fe4Ag4F24Cs4Fe4Ag4F24
_chemical_formula_sum "Cs8 Fe8 Ag8 F48"
_cell_length_a 15.172806
_cell_length_b 7.721376
_cell_length_c 10.868196
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
SuperCellAction | 9ff80a61-b029-468d-a33f-a8546a57193b | mp-531661 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Nd10Ti12O39
_chemical_formula_sum "Nd10 Ti12 O39"
_cell_length_a 7.273009
_cell_length_b 10.2912685
_cell_length_c 12.53064596
_cell_angle_alpha 113.59612546
_cell_angle_beta 106.80972901999999
_cell_angle_gamma 88.92613835
_space_... | data_image0
_chemical_formula_structural Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39Nd10Ti12O39
_chemical_formula_sum "Nd60 Ti72 O234"
_cell_length_a 7.273009
_cell_length_b 20.582537
_cell_length_c 37.59193787999999
_cell_angle_alpha 113.59612546000001
_cell_angle_be... |
SuperCellAction | 2fe2db5a-f7d3-48aa-b89c-d3d5057043ba | mp-1175891 | Create a supercell with the size 2X1X4. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.116323
_cell_length_b 7.64613856
_cell_length_c 7.821690619999999
_cell_angle_alpha 97.97207279
_cell_angle_beta 101.73332476
_cell_angle_gamma 103.21506005
_spa... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li72 Mn16 Co40 O128"
_cell_length_a 10.232646
_cell_length_b 7.64613856
_cell_length_c 31.286762479999997
_cell_angle_alph... |
SuperCellAction | f5afc933-afad-4af0-9870-110c5df2d80e | mp-728431 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Li4Cr4O18
_chemical_formula_sum "Li4 Cr4 O18"
_cell_length_a 8.53267349
_cell_length_b 8.53267349
_cell_length_c 6.6120849
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 120.35945653
_space_group_name_... | data_image0
_chemical_formula_structural Li4Cr4O18Li4Cr4O18Li4Cr4O18Li4Cr4O18
_chemical_formula_sum "Li16 Cr16 O72"
_cell_length_a 17.06534698
_cell_length_b 8.53267349
_cell_length_c 13.2241698
_cell_angle_alpha 83.09252253
_cell_angle_beta 96.90747747
_cell_angle_gamma 1... |
SuperCellAction | 244c3492-d43e-4eb6-97ef-d15e75b4d586 | mp-1019719 | Create a supercell with the size 2X1X1. | data_image0
_chemical_formula_structural Cs8Si16B8O48
_chemical_formula_sum "Cs8 Si16 B8 O48"
_cell_length_a 11.38970566
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Cs8Si16B8O48Cs8Si16B8O48
_chemical_formula_sum "Cs16 Si32 B16 O96"
_cell_length_a 22.77941132
_cell_length_b 11.389705660000002
_cell_length_c 11.38970566
_cell_angle_alpha 109.25511421999998
_cell_angle_beta 109.25511421999998
_cell_a... |
SuperCellAction | 549379d1-3786-4725-b2d6-6fba2244c921 | mp-1072988 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 15.70600415
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_group_na... | data_image0
_chemical_formula_structural Mg8Si12Mg8Si12
_chemical_formula_sum "Mg16 Si24"
_cell_length_a 6.07136022
_cell_length_b 6.07136022
_cell_length_c 31.4120083
_cell_angle_alpha 82.26827983
_cell_angle_beta 82.26827983
_cell_angle_gamma 40.134289769999995
_space_g... |
SuperCellAction | c7abcd32-ce1c-460c-8437-0c6f2b7f0954 | mp-1095411 | Create a supercell with the size 3x2x1. | data_image0
_chemical_formula_structural EuIn2Ge4Ir4
_chemical_formula_sum "Eu1 In2 Ge4 Ir4"
_cell_length_a 6.63908276
_cell_length_b 6.63908276
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta 116.23124229
_cell_angle_gamma 96.66187853999999
_spa... | data_image0
_chemical_formula_structural EuIn2Ge4Ir4EuIn2Ge4Ir4EuIn2Ge4Ir4EuIn2Ge4Ir4EuIn2Ge4Ir4EuIn2Ge4Ir4
_chemical_formula_sum "Eu6 In12 Ge24 Ir24"
_cell_length_a 19.91724828
_cell_length_b 13.27816552
_cell_length_c 6.63908276
_cell_angle_alpha 116.23124229
_cell_angle_beta ... |
SuperCellAction | 6c7a892c-fa58-4eb9-8733-965e11bfbeb2 | mp-28684 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural Sb14Se16F70
_chemical_formula_sum "Sb14 Se16 F70"
_cell_length_a 13.914392
_cell_length_b 11.419592
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sb14Se16F70Sb14Se16F70
_chemical_formula_sum "Sb28 Se32 F140"
_cell_length_a 13.914392
_cell_length_b 22.839184
_cell_length_c 15.91966876
_cell_angle_alpha 47.748210029999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
SuperCellAction | eea61cc8-a917-4acd-87a8-b8eabf05eb5d | mp-1208667 | Create a supercell with the size 2×4×1. | data_image0
_chemical_formula_structural Sr2C4O10
_chemical_formula_sum "Sr2 C4 O10"
_cell_length_a 6.4825783
_cell_length_b 6.482578300000001
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta 75.39235516
_cell_angle_gamma 72.68142132
_space_group_n... | data_image0
_chemical_formula_structural Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10Sr2C4O10
_chemical_formula_sum "Sr16 C32 O80"
_cell_length_a 12.9651566
_cell_length_b 25.930313200000004
_cell_length_c 6.55297993
_cell_angle_alpha 75.39235516
_cell_angle_beta ... |
SuperCellAction | 954774b2-d05d-4046-a2cd-5f3d1e9e02af | mp-1080794 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Tb2P2Ru4C2
_chemical_formula_sum "Tb2 P2 Ru4 C2"
_cell_length_a 5.83282683
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Tb2P2Ru4C2Tb2P2Ru4C2
_chemical_formula_sum "Tb4 P4 Ru8 C4"
_cell_length_a 11.66565366
_cell_length_b 5.83282683
_cell_length_c 7.078588
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 141.93686356000003
_space_group_... |
SuperCellAction | 38e7fb86-3079-48d3-8d81-6526822e946f | mp-2713621 | Create a supercell with the size 1×1×3. | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na12 Zr4 Ti4 Si8 P4 O48"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 9.0447651
_cell_angle_alpha 89.98724374000001
_cell_angle_beta 125.00184299
_cell_angle_gamma 90.... | data_image0
_chemical_formula_structural Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48Na12Zr4Ti4Si8P4O48
_chemical_formula_sum "Na36 Zr12 Ti12 Si24 P12 O144"
_cell_length_a 15.70059751
_cell_length_b 9.08334196
_cell_length_c 27.134295299999998
_cell_angle_alpha 89.98724374000001
_cell_an... |
SuperCellAction | 9b181ff2-1c64-4cb3-a869-a4052c1713ca | mp-1028643 | Create a supercell with the size 1X2X3. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2
_chemical_formula_sum "Te36 Mo12 W12 S12"
_cell_length_a 3.45920571
_cell_length_b 6.91841142
_cell_length_c 111.78352250999998
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_... |
SuperCellAction | ef9740c9-5f5c-49cf-ae7d-572da32fc98e | mp-1196543 | Create a supercell with the size 3x1x1. | data_image0
_chemical_formula_structural Ga40Mo8C
_chemical_formula_sum "Ga40 Mo8 C1"
_cell_length_a 9.5569173
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ga40Mo8CGa40Mo8CGa40Mo8C
_chemical_formula_sum "Ga120 Mo24 C3"
_cell_length_a 28.6707519
_cell_length_b 9.5569173
_cell_length_c 9.55691725
_cell_angle_alpha 94.10402885
_cell_angle_beta 94.10402885
_cell_angle_gamma 94.10402928
_s... |
SuperCellAction | c759e725-3405-40ad-b4cb-60611dbbeec4 | mp-29393 | Create a supercell with the size 1*2*1. | data_image0
_chemical_formula_structural U2Nb4O14
_chemical_formula_sum "U2 Nb4 O14"
_cell_length_a 10.81807734
_cell_length_b 10.81807734
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural U2Nb4O14U2Nb4O14
_chemical_formula_sum "U4 Nb8 O28"
_cell_length_a 10.81807734
_cell_length_b 21.63615468
_cell_length_c 6.543083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 159.67399374
_space_group_name_H-M_alt... |
SuperCellAction | e415d0eb-ee3c-4785-8fa8-a6005eb75fd1 | mp-758894 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Li4Ti2Te6O24
_chemical_formula_sum "Li4 Ti2 Te6 O24"
_cell_length_a 8.520907
_cell_length_b 7.079706
_cell_length_c 7.29606655
_cell_angle_alpha 87.35303227000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24Li4Ti2Te6O24
_chemical_formula_sum "Li32 Ti16 Te48 O192"
_cell_length_a 8.520907
_cell_length_b 14.159412
_cell_length_c 29.1842662
_cell_angle_alpha 87.35... |
SuperCellAction | a7f05ede-af06-4d4c-8403-52019db5e19a | mp-1212483 | Create a supercell with the size 1 by 2 by 3. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28Hg16P4H4N4O28
_chemical_formula_sum "Hg96 P24 H24 N24 O168"
_cell_length_a 6.12443421
_cell_length_b 16.636404
_cell_length_c 58.06325441999999
_cell_angle_alpha 90.0
_cell_a... |
SuperCellAction | 16127a54-3d42-4e05-afa0-b62647cd9bc0 | mp-1516307 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural KLaDyFeO6
_chemical_formula_sum "K1 La1 Dy1 Fe1 O6"
_cell_length_a 5.73485535
_cell_length_b 5.73485535
_cell_length_c 5.734855349999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... | data_image0
_chemical_formula_structural KLaDyFeO6KLaDyFeO6KLaDyFeO6KLaDyFeO6KLaDyFeO6KLaDyFeO6KLaDyFeO6KLaDyFeO6
_chemical_formula_sum "K8 La8 Dy8 Fe8 O48"
_cell_length_a 5.73485535
_cell_length_b 11.4697107
_cell_length_c 22.939421399999997
_cell_angle_alpha 59.999999999999986
... |
SuperCellAction | 47529035-f2a2-4797-8699-24ede6f428cb | mp-1201281 | Create a supercell with the size 3*2*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 Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28Cs4Np4Mo4O28
_chemical_formula_sum "Cs24 Np24 Mo24 O168"
_cell_length_a 24.596928
_cell_length_b 18.897138
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | bba01926-6d37-4cb3-9c0d-0e337d06e0cb | mp-1075627 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 6.95179
_cell_length_b 7.0860226
_cell_length_c 12.60241938
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.94999404
_cell_angle_gamma 62.96007212000001
_space_group... | data_image0
_chemical_formula_structural Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18Mg10Si18
_chemical_formula_sum "Mg80 Si144"
_cell_length_a 13.90358
_cell_length_b 7.0860226
_cell_length_c 50.40967752
_cell_angle_alpha 76.53564366000002
_cell_angle_beta 82.949... |
SuperCellAction | e0c0bad9-c089-4a44-a5ab-45b2e216d5c9 | mp-1105354 | Create a supercell with the size 1 by 2 by 4. | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca4 Fe2 Cu2 S2 O6"
_cell_length_a 3.87717203
_cell_length_b 3.87472426
_cell_length_c 14.90745591
_cell_angle_alpha 90.03974904
_cell_angle_beta 90.00472766
_cell_angle_gamma 89.98749329
_space_... | data_image0
_chemical_formula_structural Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6Ca4Fe2Cu2S2O6
_chemical_formula_sum "Ca32 Fe16 Cu16 S16 O48"
_cell_length_a 3.87717203
_cell_length_b 7.74944852
_cell_length_c 59.62982364
_cell_angle... |
SuperCellAction | fc621f33-c59c-4cb2-af75-f616a4c4a777 | mp-1228475 | Create a supercell with the size 1x1x4. | 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 Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28Ba10Mn2Co8O28
_chemical_formula_sum "Ba40 Mn8 Co32 O112"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 48.3587324
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_... |
SuperCellAction | ad00cc5e-7221-459b-9a9c-4c0d57fa33db | mp-1401213 | Create a supercell with the size 2*1*3. | data_image0
_chemical_formula_structural Mg2Ti4O8
_chemical_formula_sum "Mg2 Ti4 O8"
_cell_length_a 7.6351781
_cell_length_b 7.6351781
_cell_length_c 9.63444063
_cell_angle_alpha 51.23972896
_cell_angle_beta 51.23972896
_cell_angle_gamma 21.98626025999998
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Ti4O8Mg2Ti4O8Mg2Ti4O8Mg2Ti4O8Mg2Ti4O8Mg2Ti4O8
_chemical_formula_sum "Mg12 Ti24 O48"
_cell_length_a 15.2703562
_cell_length_b 7.6351781
_cell_length_c 28.903321890000004
_cell_angle_alpha 51.23972896000001
_cell_angle_beta 51.2397289... |
SuperCellAction | 63202ff7-da9a-41e2-b686-af1e142646fd | mp-1176457 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural Mn6O2F10
_chemical_formula_sum "Mn6 O2 F10"
_cell_length_a 5.858324
_cell_length_b 5.89193293
_cell_length_c 7.57491206
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966378
_cell_angle_gamma 71.89549521
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10Mn6O2F10
_chemical_formula_sum "Mn48 O16 F80"
_cell_length_a 5.858324
_cell_length_b 11.78386586
_cell_length_c 30.29964824
_cell_angle_alpha 73.75590791
_cell_angle_beta 73.47966... |
SuperCellAction | d18fde36-6b62-480b-96e2-f37266a6750c | mp-30012 | Create a supercell with the size 4 by 1 by 2. | data_image0
_chemical_formula_structural Bi4Kr4F28
_chemical_formula_sum "Bi4 Kr4 F28"
_cell_length_a 10.59321774
_cell_length_b 5.29125236
_cell_length_c 11.01870519
_cell_angle_alpha 84.47635688
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28Bi4Kr4F28
_chemical_formula_sum "Bi32 Kr32 F224"
_cell_length_a 42.37287096
_cell_length_b 5.29125236
_cell_length_c 22.03741038
_cell_angle_alpha 84.47635688
_cell_angle_beta ... |
SuperCellAction | 7d9a16e3-37aa-41fc-ae67-872794fcdd92 | mp-758646 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 10.877277
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4V4F20Li4V4F20
_chemical_formula_sum "Li8 V8 F40"
_cell_length_a 5.9939823
_cell_length_b 5.993982300000001
_cell_length_c 21.754554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 98.87053668
_space_group_name_H-M... |
SuperCellAction | f4a443d4-e7c5-4b54-8e16-8ce546bf60a1 | mp-1239191 | Create a supercell with the size 1*1*4. | data_image0
_chemical_formula_structural Cs4Cr8S16
_chemical_formula_sum "Cs4 Cr8 S16"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 13.287917
_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 Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16Cs4Cr8S16
_chemical_formula_sum "Cs16 Cr32 S64"
_cell_length_a 3.594919
_cell_length_b 12.069073
_cell_length_c 53.151668
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
SuperCellAction | 5ccf94cd-549a-4d56-bc8d-d43495a91f01 | mp-850401 | Create a supercell with the size 3 by 2 by 1. | data_image0
_chemical_formula_structural Li8Fe4O4F12
_chemical_formula_sum "Li8 Fe4 O4 F12"
_cell_length_a 5.964115
_cell_length_b 5.964249000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta 89.99975499999998
_cell_angle_gamma 89.99676256
_spac... | data_image0
_chemical_formula_structural Li8Fe4O4F12Li8Fe4O4F12Li8Fe4O4F12Li8Fe4O4F12Li8Fe4O4F12Li8Fe4O4F12
_chemical_formula_sum "Li48 Fe24 O24 F72"
_cell_length_a 17.892345
_cell_length_b 11.928498000000001
_cell_length_c 8.58639
_cell_angle_alpha 90.00007179
_cell_angle_beta ... |
SuperCellAction | 50a80c28-a75d-4467-a06c-0dbe43d11e5d | mp-1029771 | Create a supercell with the size 1×2×3. | data_image0
_chemical_formula_structural Ca8Re4N12
_chemical_formula_sum "Ca8 Re4 N12"
_cell_length_a 6.06534937
_cell_length_b 10.75755626
_cell_length_c 12.34777212
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780477000001
_cell_angle_gamma 27.525234260000015
_sp... | data_image0
_chemical_formula_structural Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12Ca8Re4N12
_chemical_formula_sum "Ca48 Re24 N72"
_cell_length_a 6.06534937
_cell_length_b 21.51511252
_cell_length_c 37.043316360000006
_cell_angle_alpha 89.98624235
_cell_angle_beta 89.98780... |
SuperCellAction | fa841638-9ea9-45ff-b783-48c617f686b9 | mp-763174 | Create a supercell with the size 2×1×1. | data_image0
_chemical_formula_structural Li8V4O8F4
_chemical_formula_sum "Li8 V4 O8 F4"
_cell_length_a 6.0236089
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.827165259999994
_space... | data_image0
_chemical_formula_structural Li8V4O8F4Li8V4O8F4
_chemical_formula_sum "Li16 V8 O16 F8"
_cell_length_a 12.0472178
_cell_length_b 6.023608899999999
_cell_length_c 8.98532133
_cell_angle_alpha 59.9489622
_cell_angle_beta 59.9489622
_cell_angle_gamma 59.82716525999... |
SuperCellAction | 390485ef-7380-40c4-93fb-13f64fb13809 | mp-1175453 | Create a supercell with the size 3X1X1. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.083666
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_angle_gamma 107.65282792
... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Li9Mn2Co5O16Li9Mn2Co5O16
_chemical_formula_sum "Li27 Mn6 Co15 O48"
_cell_length_a 15.250998
_cell_length_b 5.89114957
_cell_length_c 10.09419816
_cell_angle_alpha 88.84453634999998
_cell_angle_beta 99.76659610999998
_cell_a... |
SuperCellAction | d493b719-452b-4bc6-9749-c1a13e633d3b | mp-1194096 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Sr8Ni4Se12O36
_chemical_formula_sum "Sr8 Ni4 Se12 O36"
_cell_length_a 7.4440848
_cell_length_b 10.350755760000002
_cell_length_c 12.988963870000001
_cell_angle_alpha 82.00291873
_cell_angle_beta 97.24416022
_cell_angle_gamma 107.365... | data_image0
_chemical_formula_structural Sr8Ni4Se12O36Sr8Ni4Se12O36Sr8Ni4Se12O36Sr8Ni4Se12O36
_chemical_formula_sum "Sr32 Ni16 Se48 O144"
_cell_length_a 7.4440848
_cell_length_b 20.701511520000004
_cell_length_c 25.977927740000002
_cell_angle_alpha 82.00291873
_cell_angle_beta ... |
SuperCellAction | 3f0cebc8-1c01-404e-80e1-163e9e020f4d | mp-23013 | Create a supercell with the size 2X2X2. | data_image0
_chemical_formula_structural U4Cl8O8
_chemical_formula_sum "U4 Cl8 O8"
_cell_length_a 5.76341914
_cell_length_b 8.44405204
_cell_length_c 8.73800116
_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 U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8U4Cl8O8
_chemical_formula_sum "U32 Cl64 O64"
_cell_length_a 11.52683828
_cell_length_b 16.88810408
_cell_length_c 17.47600232
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 4649e012-3c04-4c18-af80-5b4aaf40e129 | mp-1198616 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Na4In4B4P8H4O36
_chemical_formula_sum "Na4 In4 B4 P8 H4 O36"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 8.95999236
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma 90.0
_space_gr... | data_image0
_chemical_formula_structural Na4In4B4P8H4O36Na4In4B4P8H4O36
_chemical_formula_sum "Na8 In8 B8 P16 H8 O72"
_cell_length_a 5.17658486
_cell_length_b 16.79093092
_cell_length_c 17.91998472
_cell_angle_alpha 90.0
_cell_angle_beta 121.13523207000001
_cell_angle_gamma ... |
SuperCellAction | c203a163-eef6-4e60-8712-f0b820cd1010 | mp-980108 | Create a supercell with the size 2X1X2. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12Sm4Mg2Ir2O12Sm4Mg2Ir2O12Sm4Mg2Ir2O12
_chemical_formula_sum "Sm16 Mg8 Ir8 O48"
_cell_length_a 11.520388
_cell_length_b 5.428014
_cell_length_c 18.97070976
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 0583ae7d-0bc1-478c-ab70-6b05c4722267 | mp-1217947 | Create a supercell with the size 2*3*1. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_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 Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24Ta4Nb4Ag8O24
_chemical_formula_sum "Ta24 Nb24 Ag48 O144"
_cell_length_a 11.228542
_cell_length_b 17.060184
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.... |
SuperCellAction | a2dc3f22-073d-45b7-a4e5-9a10fe5826c1 | mp-697807 | Create a supercell with the size 4×2×1. | data_image0
_chemical_formula_structural Li2Mn8P14O48
_chemical_formula_sum "Li2 Mn8 P14 O48"
_cell_length_a 10.312902
_cell_length_b 10.477423819999998
_cell_length_c 10.77161187
_cell_angle_alpha 109.86704881
_cell_angle_beta 111.33068254999999
_cell_angle_gamma 105.6353... | data_image0
_chemical_formula_structural Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48Li2Mn8P14O48
_chemical_formula_sum "Li16 Mn64 P112 O384"
_cell_length_a 41.251608
_cell_length_b 20.954847639999997
_cell_length_c 10.77161187
_cell_angle_alp... |
SuperCellAction | 2312f113-056d-446b-a48b-69d2178c6217 | mp-755699 | Create a supercell with the size 1X1X2. | data_image0
_chemical_formula_structural Li4CrCu3O8
_chemical_formula_sum "Li4 Cr1 Cu3 O8"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 14.33816371
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma 33.61800237... | data_image0
_chemical_formula_structural Li4CrCu3O8Li4CrCu3O8
_chemical_formula_sum "Li8 Cr2 Cu6 O16"
_cell_length_a 10.14217904
_cell_length_b 10.14144136
_cell_length_c 28.67632742
_cell_angle_alpha 19.50460015000001
_cell_angle_beta 19.503536469999972
_cell_angle_gamma ... |
SuperCellAction | f9d32c62-cad3-4e53-a3e6-57c9c14923a9 | mp-625941 | Create a supercell with the size 1x3x2. | 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 TeH6O6TeH6O6TeH6O6TeH6O6TeH6O6TeH6O6
_chemical_formula_sum "Te6 H36 O36"
_cell_length_a 5.91528034
_cell_length_b 17.372338980000002
_cell_length_c 10.74415784
_cell_angle_alpha 63.869127299999995
_cell_angle_beta 61.509273349999994
_c... |
SuperCellAction | 2f59c098-bca9-4806-8291-592e94e3a408 | mp-1179245 | Create a supercell with the size 2*1*4. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20V6H12O20
_chemical_formula_sum "V48 H96 O160"
_cell_length_a 12.219818
_cell_length_b 8.90692701
_cell_length_c 36.288375720000005
_cell_angle_alpha 88.65203732
_cell_angle_beta 8... |
SuperCellAction | 9b2df76a-44d1-446e-bae0-a4ed9eebcb1d | mp-1114234 | Create a supercell with the size 3*2*1. | data_image0
_chemical_formula_structural Na2LiRhF6
_chemical_formula_sum "Na2 Li1 Rh1 F6"
_cell_length_a 5.63395672
_cell_length_b 5.63395672
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6Na2LiRhF6
_chemical_formula_sum "Na12 Li6 Rh6 F36"
_cell_length_a 16.901870159999998
_cell_length_b 11.26791344
_cell_length_c 5.63395672
_cell_angle_alpha 59.99999999999999
_cell_angle_beta ... |
SuperCellAction | ea01fd80-6e40-4472-82b5-c9bc6b91edea | mp-766386 | Create a supercell with the size 2×2×1. | data_image0
_chemical_formula_structural Mn6Fe2P8O32
_chemical_formula_sum "Mn6 Fe2 P8 O32"
_cell_length_a 11.53339526
_cell_length_b 11.533395260000002
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746044999999
_cell_angle_gamma 62.83... | data_image0
_chemical_formula_structural Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32Mn6Fe2P8O32
_chemical_formula_sum "Mn24 Fe8 P32 O128"
_cell_length_a 23.06679052
_cell_length_b 23.066790520000005
_cell_length_c 4.92890101
_cell_angle_alpha 89.99746044999999
_cell_angle_beta 89.99746... |
SuperCellAction | d34f6f09-7848-4193-bf1e-86c8bff95dba | mp-757196 | Create a supercell with the size 1 by 2 by 2. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14Hg4W4O14Hg4W4O14Hg4W4O14
_chemical_formula_sum "Hg16 W16 O56"
_cell_length_a 5.314241
_cell_length_b 17.11381862
_cell_length_c 18.1880084
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma ... |
SuperCellAction | 0986aac4-cb5b-4dd7-b5de-c971ee83a6c1 | mp-768505 | Create a supercell with the size 1x2x4. | data_image0
_chemical_formula_structural Lu6Ga6O18
_chemical_formula_sum "Lu6 Ga6 O18"
_cell_length_a 5.90261744
_cell_length_b 5.90261585
_cell_length_c 11.574137249999998
_cell_angle_alpha 89.99999338
_cell_angle_beta 89.99995016
_cell_angle_gamma 119.99938731
_space_gr... | data_image0
_chemical_formula_structural Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18Lu6Ga6O18
_chemical_formula_sum "Lu48 Ga48 O144"
_cell_length_a 5.90261744
_cell_length_b 11.8052317
_cell_length_c 46.29654899999999
_cell_angle_alpha 89.99999338
_cell_angle_... |
SuperCellAction | 82612f9a-30c9-44d6-96a3-64aa330d0cb8 | mp-1208355 | Create a supercell with the size 3*1*2. | data_image0
_chemical_formula_structural Tb4As4O8
_chemical_formula_sum "Tb4 As4 O8"
_cell_length_a 7.00963605
_cell_length_b 7.00963605
_cell_length_c 7.009636050000001
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
_cell_angle_gamma 108.85809727
_space_gro... | data_image0
_chemical_formula_structural Tb4As4O8Tb4As4O8Tb4As4O8Tb4As4O8Tb4As4O8Tb4As4O8
_chemical_formula_sum "Tb24 As24 O48"
_cell_length_a 21.02890815
_cell_length_b 7.00963605
_cell_length_c 14.019272100000002
_cell_angle_alpha 109.77864946
_cell_angle_beta 109.77864946
... |
SuperCellAction | a035b880-2e26-482f-b6fa-8cec472a57c6 | mp-978989 | Create a supercell with the size 1X1X4. | data_image0
_chemical_formula_structural Tc14B6
_chemical_formula_sum "Tc14 B6"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 4.82992795
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tc14B6Tc14B6Tc14B6Tc14B6
_chemical_formula_sum "Tc56 B24"
_cell_length_a 7.46654839
_cell_length_b 7.4665463800000005
_cell_length_c 19.3197118
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99981629
_space_grou... |
SuperCellAction | c06e0750-e9e3-42f7-847b-8879c775eb9a | mp-1079634 | Create a supercell with the size 4X1X1. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4Tb4Sn2Au4
_chemical_formula_sum "Tb16 Sn8 Au16"
_cell_length_a 31.66639236
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.99803... |
SuperCellAction | b1fdff62-f8c7-47d3-bbd0-5a583c12c223 | mp-1223532 | Create a supercell with the size 1x2x2. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural K2La2C2O8K2La2C2O8K2La2C2O8K2La2C2O8
_chemical_formula_sum "K8 La8 C8 O32"
_cell_length_a 3.686097
_cell_length_b 9.521238
_cell_length_c 24.392768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
SuperCellAction | 676fafe9-0ad1-4f13-8819-026aeea4b92d | mp-1043615 | Create a supercell with the size 1*1*2. | data_image0
_chemical_formula_structural Mn6Zn2P8O28
_chemical_formula_sum "Mn6 Zn2 P8 O28"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 9.902182270000003
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn6Zn2P8O28Mn6Zn2P8O28
_chemical_formula_sum "Mn12 Zn4 P16 O56"
_cell_length_a 7.541915
_cell_length_b 7.529579
_cell_length_c 19.804364540000005
_cell_angle_alpha 66.5660246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_grou... |
SuperCellAction | 882e9200-578b-40d4-8249-5f2dba858445 | mp-1206319 | Create a supercell with the size 1X4X1. | data_image0
_chemical_formula_structural Rb2Co2Br6
_chemical_formula_sum "Rb2 Co2 Br6"
_cell_length_a 7.42861131
_cell_length_b 7.42750215
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle_gamma 119.99551734999999... | data_image0
_chemical_formula_structural Rb2Co2Br6Rb2Co2Br6Rb2Co2Br6Rb2Co2Br6
_chemical_formula_sum "Rb8 Co8 Br24"
_cell_length_a 7.42861131
_cell_length_b 29.7100086
_cell_length_c 6.244587669999999
_cell_angle_alpha 89.99999801
_cell_angle_beta 90.00002781999999
_cell_angle... |
SuperCellAction | b7bc3e55-ff33-474d-b144-a6241a245a76 | mp-850540 | Create a supercell with the size 2*1*2. | data_image0
_chemical_formula_structural Zn4Fe8P12O48
_chemical_formula_sum "Zn4 Fe8 P12 O48"
_cell_length_a 5.956416
_cell_length_b 4.893716
_cell_length_c 29.86220092
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zn4Fe8P12O48Zn4Fe8P12O48Zn4Fe8P12O48Zn4Fe8P12O48
_chemical_formula_sum "Zn16 Fe32 P48 O192"
_cell_length_a 11.912832
_cell_length_b 4.893716
_cell_length_c 59.72440184
_cell_angle_alpha 89.98575769
_cell_angle_beta 90.0
_cell_angle_gam... |
SuperCellAction | 504335aa-2ed0-48bf-84f7-93439ad736cb | mp-549058 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba24 Fe24 Se24 O12 F24"
_cell_length_a 12.797512470000001
_cell_length_b 4.2657151
_cell_length_c 39.89317032000001
_cell_angle_alpha 89.... |
SuperCellAction | fbb82bcd-a4d3-464e-9b66-ca426053d210 | mp-1192688 | Create a supercell with the size 1x2x3. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24Zn4N24Zn4N24Zn4N24Zn4N24Zn4N24
_chemical_formula_sum "Zn24 N144"
_cell_length_a 3.46225614
_cell_length_b 32.69835478
_cell_length_c 22.12887897
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_spac... |
SuperCellAction | 2e0d9884-170a-411d-884c-ac494aa981a3 | mp-1228441 | Create a supercell with the size 2*2*1. | data_image0
_chemical_formula_structural Ba7Hg31
_chemical_formula_sum "Ba7 Hg31"
_cell_length_a 10.96998198
_cell_length_b 10.970007279999999
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba7Hg31Ba7Hg31Ba7Hg31Ba7Hg31
_chemical_formula_sum "Ba28 Hg124"
_cell_length_a 21.93996396
_cell_length_b 21.940014559999998
_cell_length_c 10.4440168
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00007175
_spa... |
SuperCellAction | ff29c568-1c89-49b3-acf9-e4ea9026e984 | mp-6606 | Create a supercell with the size 2X1X1. | 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 Sr2Y2Si8N14Sr2Y2Si8N14
_chemical_formula_sum "Sr4 Y4 Si16 N28"
_cell_length_a 12.12293826
_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
_s... |
SuperCellAction | 35724232-abc6-477b-8005-bf8c3c75afea | mp-1229042 | Create a supercell with the size 1×1×2. | data_image0
_chemical_formula_structural Al9Fe2Si4O24
_chemical_formula_sum "Al9 Fe2 Si4 O24"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 5.71036493
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.63019072
_space_gro... | data_image0
_chemical_formula_structural Al9Fe2Si4O24Al9Fe2Si4O24
_chemical_formula_sum "Al18 Fe4 Si8 O48"
_cell_length_a 9.27066262
_cell_length_b 9.27066262
_cell_length_c 11.42072986
_cell_angle_alpha 89.69804354
_cell_angle_beta 89.69804354
_cell_angle_gamma 129.630190... |
SuperCellAction | 793cc7d3-b4a9-49af-8854-3538c3816b94 | mp-1220380 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Nd3NiSn7
_chemical_formula_sum "Nd3 Ni1 Sn7"
_cell_length_a 13.90377236
_cell_length_b 13.90377236
_cell_length_c 4.5517161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161.25257191
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nd3NiSn7Nd3NiSn7Nd3NiSn7Nd3NiSn7Nd3NiSn7Nd3NiSn7
_chemical_formula_sum "Nd18 Ni6 Sn42"
_cell_length_a 41.71131708
_cell_length_b 13.90377236
_cell_length_c 9.1034322
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 161... |
SuperCellAction | 5d5127c7-f3c9-4d50-b48d-439f803b33b0 | mp-2713601 | Create a supercell with the size 2 by 1 by 1. | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na12 Zr4 Si8 Sn4 P4 O48"
_cell_length_a 15.80930235
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell_angle_gamma 90... | data_image0
_chemical_formula_structural Na12Zr4Si8Sn4P4O48Na12Zr4Si8Sn4P4O48
_chemical_formula_sum "Na24 Zr8 Si16 Sn8 P8 O96"
_cell_length_a 31.6186047
_cell_length_b 9.12113413
_cell_length_c 9.16076048
_cell_angle_alpha 89.95736308
_cell_angle_beta 124.88498987999999
_cell... |
SuperCellAction | fc9fd016-68f3-4d90-befa-9e338d46bc0e | mp-1218286 | Create a supercell with the size 2*1*1. | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr1 La3 Mn2 Cr2 O12"
_cell_length_a 5.46755873
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cell_angle_gamma ... | data_image0
_chemical_formula_structural SrLa3Mn2Cr2O12SrLa3Mn2Cr2O12
_chemical_formula_sum "Sr2 La6 Mn4 Cr4 O24"
_cell_length_a 10.93511746
_cell_length_b 7.985748690000001
_cell_length_c 5.541264629999999
_cell_angle_alpha 90.00051804
_cell_angle_beta 89.99987303999998
_cel... |
SuperCellAction | e813b3c4-7f72-4e19-b1f6-e6c86f9b37b6 | mp-642735 | Create a supercell with the size 1x2x1. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Rb4H8Pt2
_chemical_formula_sum "Rb8 H16 Pt4"
_cell_length_a 5.8618533
_cell_length_b 11.7237066
_cell_length_c 8.40442138
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
SuperCellAction | e1adb439-a73e-4694-a320-6cedcd4f1a56 | mp-1204112 | Create a supercell with the size 1*2*3. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12Sn2H8S12N12Cl12
_chemical_formula_sum "Sn12 H48 S72 N72 Cl72"
_cell_length_a 13.290174
_cell_length_b 14.72832
_cell_length_c 35.79126168
_cell_angle_alpha 57.87495... |
SuperCellAction | 3fda2c05-9587-4f81-b76e-1a60a45c96e5 | mp-31273 | Create a supercell with the size 1X2X4. | data_image0
_chemical_formula_structural La8Cu4S16
_chemical_formula_sum "La8 Cu4 S16"
_cell_length_a 7.57804436
_cell_length_b 7.7499303
_cell_length_c 10.90141497
_cell_angle_alpha 75.46525323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16La8Cu4S16
_chemical_formula_sum "La64 Cu32 S128"
_cell_length_a 7.57804436
_cell_length_b 15.4998606
_cell_length_c 43.60565988
_cell_angle_alpha 75.46525323
_cell_angle_beta ... |
SuperCellAction | 7d26aa6c-ded8-420b-b62e-49df75f0573f | mp-759173 | Create a supercell with the size 1x4x1. | data_image0
_chemical_formula_structural LiV3O8
_chemical_formula_sum "Li1 V3 O8"
_cell_length_a 5.56596741
_cell_length_b 5.56596741
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural LiV3O8LiV3O8LiV3O8LiV3O8
_chemical_formula_sum "Li4 V12 O32"
_cell_length_a 5.56596741
_cell_length_b 22.26386964
_cell_length_c 5.947745
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999295000002
_space_grou... |
SuperCellAction | 25d19876-915f-4fb9-bc68-1421e1d720d8 | mp-1521970 | Create a supercell with the size 2 by 1 by 3. | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr4 Ca4 Eu4 Bi4 O24"
_cell_length_a 8.54600394
_cell_length_b 8.54462051
_cell_length_c 8.54397561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Sr4Ca4Eu4Bi4O24Sr4Ca4Eu4Bi4O24Sr4Ca4Eu4Bi4O24Sr4Ca4Eu4Bi4O24Sr4Ca4Eu4Bi4O24Sr4Ca4Eu4Bi4O24
_chemical_formula_sum "Sr24 Ca24 Eu24 Bi24 O144"
_cell_length_a 17.09200788
_cell_length_b 8.54462051
_cell_length_c 25.63192683
_cell_angle_alpha 9... |
SuperCellAction | a3ede7ff-5c0b-4d3d-9d7a-ebc7f0ac70c3 | mp-1239141 | Create a supercell with the size 3 by 1 by 1. | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16
_chemical_formula_sum "Ta2 Cr6 Cu4 S16"
_cell_length_a 12.195021
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ta2Cr6Cu4S16Ta2Cr6Cu4S16Ta2Cr6Cu4S16
_chemical_formula_sum "Ta6 Cr18 Cu12 S48"
_cell_length_a 36.585063000000005
_cell_length_b 5.74575
_cell_length_c 8.92965446
_cell_angle_alpha 50.87768145
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 14fc28db-aea5-41ae-a4f9-370638ccf83f | mp-607917 | Create a supercell with the size 4×1×1. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12La21Fe8Sn7C12La21Fe8Sn7C12La21Fe8Sn7C12
_chemical_formula_sum "La84 Fe32 Sn28 C48"
_cell_length_a 46.57425
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 5... |
SuperCellAction | cefbb3ad-e293-4803-900a-02dee2f6d5c7 | mp-695887 | Create a supercell with the size 2x1x4. | data_image0
_chemical_formula_structural K3Cu2P4HO14
_chemical_formula_sum "K3 Cu2 P4 H1 O14"
_cell_length_a 5.26174534
_cell_length_b 5.52086112
_cell_length_c 12.69132558
_cell_angle_alpha 90.60332849
_cell_angle_beta 100.43952077
_cell_angle_gamma 117.17330493999998
_s... | data_image0
_chemical_formula_structural K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14K3Cu2P4HO14
_chemical_formula_sum "K24 Cu16 P32 H8 O112"
_cell_length_a 10.52349068
_cell_length_b 5.52086112
_cell_length_c 50.76530232
_cell_angle_alpha 90.6033... |
SuperCellAction | 59d4847a-212e-4fe4-9b0f-792cbaa64c21 | mp-1245505 | Create a supercell with the size 2 by 4 by 1. | data_image0
_chemical_formula_structural Mn4V2N6
_chemical_formula_sum "Mn4 V2 N6"
_cell_length_a 5.86989221
_cell_length_b 6.02094344
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.85496952
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn4V2N6Mn4V2N6Mn4V2N6Mn4V2N6Mn4V2N6Mn4V2N6Mn4V2N6Mn4V2N6
_chemical_formula_sum "Mn32 V16 N48"
_cell_length_a 11.73978442
_cell_length_b 24.08377376
_cell_length_c 4.024515
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma ... |
SuperCellAction | 68012442-a61a-490d-9308-80d2cf7f6fcb | mp-541094 | Create a supercell with the size 1X4X2. | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20
_chemical_formula_sum "Ta4 Hg6 S2 O8 F20"
_cell_length_a 12.3091215
_cell_length_b 10.48936124
_cell_length_c 9.306227819999998
_cell_angle_alpha 76.63821534
_cell_angle_beta 56.00576460999999
_cell_angle_gamma 47.3560... | data_image0
_chemical_formula_structural Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20Ta4Hg6S2O8F20
_chemical_formula_sum "Ta32 Hg48 S16 O64 F160"
_cell_length_a 12.3091215
_cell_length_b 41.95744496
_cell_length_c 18.612455639999997
_ce... |
SuperCellAction | e78e43f0-0bd1-4906-938d-fb1f54d520f4 | mp-1029952 | Create a supercell with the size 1*2*4. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.46013268
_cell_length_b 3.4601326799999996
_cell_length_c 39.261307
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001304
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2Te6Mo2W2S2
_chemical_formula_sum "Te48 Mo16 W16 S16"
_cell_length_a 3.46013268
_cell_length_b 6.920265359999999
_cell_length_c 157.045228
_cell_angle_alpha 90.0
_cell_an... |
SuperCellAction | 771d3e2b-b7a2-4df3-b237-eb5f144154ff | mp-1197808 | Create a supercell with the size 1*4*2. | data_image0
_chemical_formula_structural Ca4Sn4O24
_chemical_formula_sum "Ca4 Sn4 O24"
_cell_length_a 8.792803
_cell_length_b 8.792803
_cell_length_c 8.792803
_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 Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24Ca4Sn4O24
_chemical_formula_sum "Ca32 Sn32 O192"
_cell_length_a 8.792803
_cell_length_b 35.171212
_cell_length_c 17.585606
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cel... |
SuperCellAction | 8e151da0-88aa-4e79-8db0-b327478640b1 | mp-1041051 | Create a supercell with the size 1X2X2. | data_image0
_chemical_formula_structural Ca6V12O24
_chemical_formula_sum "Ca6 V12 O24"
_cell_length_a 6.30176056
_cell_length_b 6.30176056
_cell_length_c 15.47552296
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angle_gamma 59.88871945
_spac... | data_image0
_chemical_formula_structural Ca6V12O24Ca6V12O24Ca6V12O24Ca6V12O24
_chemical_formula_sum "Ca24 V48 O96"
_cell_length_a 6.30176056
_cell_length_b 12.60352112
_cell_length_c 30.95104592
_cell_angle_alpha 89.87511083999999
_cell_angle_beta 89.87511083999999
_cell_angl... |
SuperCellAction | 4654c26a-3309-4546-8284-3c35d563ba53 | mp-1204185 | Create a supercell with the size 3X2X1. | data_image0
_chemical_formula_structural Ag12Te8W6O40
_chemical_formula_sum "Ag12 Te8 W6 O40"
_cell_length_a 15.52412535
_cell_length_b 15.52412535
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_beta 88.40717391
_cell_angle_gamma 25.386584279999997
_s... | data_image0
_chemical_formula_structural Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40Ag12Te8W6O40
_chemical_formula_sum "Ag72 Te48 W36 O240"
_cell_length_a 46.57237605
_cell_length_b 31.0482507
_cell_length_c 9.71240627
_cell_angle_alpha 88.40717391
_cell_angle_be... |
SuperCellAction | f31e3d42-3ef9-49c7-8545-086b39db4be9 | mp-560603 | Create a supercell with the size 2 by 1 by 4. | data_image0
_chemical_formula_structural Na4Mg2Si10O24
_chemical_formula_sum "Na4 Mg2 Si10 O24"
_cell_length_a 8.737959
_cell_length_b 5.33376
_cell_length_c 9.34515631
_cell_angle_alpha 75.45457203
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24Na4Mg2Si10O24
_chemical_formula_sum "Na32 Mg16 Si80 O192"
_cell_length_a 17.475918
_cell_length_b 5.33376
_cell_length_c 37.38062524
_cell_angle_alpha ... |
SuperCellAction | f7f11b06-e4ec-4b2c-bb4f-a6ab01162351 | mp-703305 | Create a supercell with the size 3X1X2. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16Na8P4H4O16
_chemical_formula_sum "Na48 P24 H24 O96"
_cell_length_a 20.781888000000002
_cell_length_b 5.506799
_cell_length_c 22.161476299999997
_cell_angle_alpha 63.67625642000001
_cell_ang... |
SuperCellAction | 068fb8fb-8aab-4113-9e54-d02a8d96a63b | mp-1220650 | Create a supercell with the size 3×1×2. | data_image0
_chemical_formula_structural Nb4B20Mo11
_chemical_formula_sum "Nb4 B20 Mo11"
_cell_length_a 3.10222374
_cell_length_b 3.20556237
_cell_length_c 35.07391058
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.53468053
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Nb4B20Mo11Nb4B20Mo11Nb4B20Mo11Nb4B20Mo11Nb4B20Mo11Nb4B20Mo11
_chemical_formula_sum "Nb24 B120 Mo66"
_cell_length_a 9.30667122
_cell_length_b 3.20556237
_cell_length_c 70.14782116
_cell_angle_alpha 92.61917236
_cell_angle_beta 92.534680... |
SuperCellAction | 7d9e4657-ae13-4d97-b64b-caf3efd9758c | mp-1028096 | Create a supercell with the size 1 by 2 by 1. | data_image0
_chemical_formula_structural Mg14MnSi
_chemical_formula_sum "Mg14 Mn1 Si1"
_cell_length_a 6.20733672
_cell_length_b 6.20733624
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Mg14MnSiMg14MnSi
_chemical_formula_sum "Mg28 Mn2 Si2"
_cell_length_a 6.20733672
_cell_length_b 12.41467248
_cell_length_c 10.20989807
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000254
_space_group_name_H-M... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.