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 |
|---|---|---|---|---|---|
InsertBetweenAtomsAction | b2237d15-db0e-47c9-972a-b49281f379bf | mp-1195020 | Insert a Ba atom in the line between atoms at indices 15 and 25, and the inserted atom must be 3.72 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Pr4Tl4P8Se24
_chemical_formula_sum "Pr4 Tl4 P8 Se24"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr4Tl4P8Se24Ba
_chemical_formula_sum "Pr4 Tl4 P8 Se24 Ba1"
_cell_length_a 7.832904
_cell_length_b 12.042155
_cell_length_c 12.536434
_cell_angle_alpha 70.55859086
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 9dd0983f-9185-4e88-b896-5e9d666df468 | mp-4068 | Insert a Sr atom in the line between atoms at indices 12 and 6, and the inserted atom must be 5.46 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Na8Ge4S12
_chemical_formula_sum "Na8 Ge4 S12"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Na8Ge4S12Sr
_chemical_formula_sum "Na8 Ge4 S12 Sr1"
_cell_length_a 15.32306115
_cell_length_b 5.81126591
_cell_length_c 6.86534521
_cell_angle_alpha 66.31847418
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | a5413c05-1c1d-456d-90f3-3c13d51a1ef5 | mp-17827 | Insert a W atom in the line between atoms at indices 9 and 12, and the inserted atom must be 2.64 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14
_chemical_formula_sum "Nd6 Si2 Ag2 Se14"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Nd6Si2Ag2Se14W
_chemical_formula_sum "Nd6 Si2 Ag2 Se14 W1"
_cell_length_a 10.7664337
_cell_length_b 10.7664337
_cell_length_c 6.075528
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999813
_space_group_name_H-... |
InsertBetweenAtomsAction | 929c7731-4b1e-47c3-84c6-0fc42a98688a | mp-772788 | Insert a Zn atom in the line between atoms at indices 11 and 33, and the inserted atom must be 4.79 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba8Cu8O20
_chemical_formula_sum "Ba8 Cu8 O20"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_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 Ba8Cu8O20Zn
_chemical_formula_sum "Ba8 Cu8 O20 Zn1"
_cell_length_a 4.14542501
_cell_length_b 10.68465801
_cell_length_c 13.96996051
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | b7042324-aad6-4bc7-bb0e-9130752ef289 | mp-1104069 | Insert a Rh atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.58 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Y2Ni8As4
_chemical_formula_sum "Y2 Ni8 As4"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_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 Y2Ni8As4Rh
_chemical_formula_sum "Y2 Ni8 As4 Rh1"
_cell_length_a 7.20676801
_cell_length_b 7.20676801
_cell_length_c 3.73949047
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 91d31533-e9d8-4089-835a-00cd9925d6bf | mp-1211390 | Insert a Tc atom in the line between atoms at indices 12 and 6, and the inserted atom must be 5.71 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Te7As6
_chemical_formula_sum "Te7 As6"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te7As6Tc
_chemical_formula_sum "Te7 As6 Tc1"
_cell_length_a 14.03875547
_cell_length_b 13.27688533
_cell_length_c 104.17872583
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.91709385999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 04e05592-43cf-42a7-943b-7993d5f8df79 | mp-1026902 | Insert a Gd atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.66 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg14CuB
_chemical_formula_sum "Mg14 Cu1 B1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14CuBGd
_chemical_formula_sum "Mg14 Cu1 B1 Gd1"
_cell_length_a 6.21930327
_cell_length_b 6.273270720000001
_cell_length_c 9.98555831
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.28746915
_space_group_name_H-... |
InsertBetweenAtomsAction | 8483f3ff-947f-4d83-92fa-3eebdc14d2e7 | mp-984755 | Insert a Fe atom in the line between atoms at indices 33 and 14, and the inserted atom must be 2.06 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Nb8Ag4O22
_chemical_formula_sum "Nb8 Ag4 O22"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.349797... | data_image0
_chemical_formula_structural Nb8Ag4O22Fe
_chemical_formula_sum "Nb8 Ag4 O22 Fe1"
_cell_length_a 13.2430866
_cell_length_b 13.243086600000002
_cell_length_c 13.24308617
_cell_angle_alpha 27.34979933000001
_cell_angle_beta 27.349799329999986
_cell_angle_gamma 27.... |
InsertBetweenAtomsAction | ab2609be-4a70-495b-868f-f408c3e16bcf | mp-756100 | Insert a H atom in the line between atoms at indices 0 and 10, and the inserted atom must be 0.94 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li2Fe2F8
_chemical_formula_sum "Li2 Fe2 F8"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_space_g... | data_image0
_chemical_formula_structural Li2Fe2F8H
_chemical_formula_sum "Li2 Fe2 F8 H1"
_cell_length_a 6.05218545
_cell_length_b 6.05218545
_cell_length_c 5.32375247
_cell_angle_alpha 87.10378728000002
_cell_angle_beta 87.10378728000002
_cell_angle_gamma 55.89357918
_spa... |
InsertBetweenAtomsAction | 0b0fd394-7392-4a85-8ccf-644f2ec38d70 | mp-1216993 | Insert a Tl atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.72 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural U2Co3CuGe4
_chemical_formula_sum "U2 Co3 Cu1 Ge4"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_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 U2Co3CuGe4Tl
_chemical_formula_sum "U2 Co3 Cu1 Ge4 Tl1"
_cell_length_a 4.061368
_cell_length_b 4.061368
_cell_length_c 9.806505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 5c53c8be-a086-4ac5-92c2-568eeb0b995d | mp-1229042 | Insert a Hf atom in the line between atoms at indices 31 and 18, and the inserted atom must be 3.40 angstrom from atom at 31 in the cif file. | 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 Al9Fe2Si4O24Hf
_chemical_formula_sum "Al9 Fe2 Si4 O24 Hf1"
_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
_spa... |
InsertBetweenAtomsAction | 6cabc6e2-a517-4840-94b9-d63b1d9e7fb1 | mp-758894 | Insert a Ga atom in the line between atoms at indices 7 and 0, and the inserted atom must be 4.73 angstrom from atom at 7 in the cif file. | 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 Li4Ti2Te6O24Ga
_chemical_formula_sum "Li4 Ti2 Te6 O24 Ga1"
_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... |
InsertBetweenAtomsAction | ed82cf44-a48b-41ba-a8f3-b111569b7641 | mp-1196371 | Insert a Cn atom in the line between atoms at indices 5 and 60, and the inserted atom must be 8.17 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ce2Cu12P6O42
_chemical_formula_sum "Ce2 Cu12 P6 O42"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ce2Cu12P6O42Cn
_chemical_formula_sum "Ce2 Cu12 P6 O42 Cn1"
_cell_length_a 5.769265
_cell_length_b 13.090704
_cell_length_c 13.12293819
_cell_angle_alpha 60.443047209999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 52f66d58-f2a5-4019-b79d-34f6bf0bda4b | mp-1209763 | Insert a Md atom in the line between atoms at indices 1 and 29, and the inserted atom must be 1.87 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Rb8Eu4F20
_chemical_formula_sum "Rb8 Eu4 F20"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_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 Rb8Eu4F20Md
_chemical_formula_sum "Rb8 Eu4 F20 Md1"
_cell_length_a 7.019993
_cell_length_b 7.75779
_cell_length_c 11.718263
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 40480986-c122-4784-89b0-69124cea00ba | mp-1188770 | Insert a Hf atom in the line between atoms at indices 11 and 13, and the inserted atom must be 2.42 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Er12Co4
_chemical_formula_sum "Er12 Co4"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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 Er12Co4Hf
_chemical_formula_sum "Er12 Co4 Hf1"
_cell_length_a 6.104596
_cell_length_b 6.838953
_cell_length_c 9.285942
_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... |
InsertBetweenAtomsAction | a04b887c-1927-4c14-b2b0-0f14891628c6 | mp-772660 | Insert a Tm atom in the line between atoms at indices 12 and 19, and the inserted atom must be 4.02 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nb4Cr4O16
_chemical_formula_sum "Nb4 Cr4 O16"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4Cr4O16Tm
_chemical_formula_sum "Nb4 Cr4 O16 Tm1"
_cell_length_a 4.5187362
_cell_length_b 11.61773218
_cell_length_c 4.91121829
_cell_angle_alpha 89.99995699
_cell_angle_beta 89.998968
_cell_angle_gamma 89.99993829
_space_group_n... |
InsertBetweenAtomsAction | 9c7fba06-766d-4729-9f8c-a8a25ee2c24f | mp-600038 | Insert a Sb atom in the line between atoms at indices 0 and 21, and the inserted atom must be 2.90 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Si10O20
_chemical_formula_sum "Si10 O20"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_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 Si10O20Sb
_chemical_formula_sum "Si10 O20 Sb1"
_cell_length_a 13.81934545
_cell_length_b 6.91058365
_cell_length_c 6.41899888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 5473b535-3014-428d-b95c-079a3cc290a8 | mp-531064 | Insert a Fm atom in the line between atoms at indices 87 and 50, and the inserted atom must be 5.53 angstrom from atom at 87 in the cif file. | 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 K8Mo24Br56Fm
_chemical_formula_sum "K8 Mo24 Br56 Fm1"
_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"... |
InsertBetweenAtomsAction | e4eda622-df91-447e-ab61-391cb42b52b3 | mp-1518110 | Insert a Kr atom in the line between atoms at indices 1 and 7, and the inserted atom must be 0.75 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6Kr
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 Kr1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 5ffc7c13-0918-45b0-93ab-4ed123daaec0 | mp-1224634 | Insert a Yb atom in the line between atoms at indices 12 and 2, and the inserted atom must be 2.77 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24Yb
_chemical_formula_sum "In9 Ga3 Bi4 S24 Yb1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 5884a378-5881-4d68-9c94-2cf838ca98f1 | mp-21286 | Insert a Ga atom in the line between atoms at indices 2 and 11, and the inserted atom must be 0.75 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mn4Co4Ge4
_chemical_formula_sum "Mn4 Co4 Ge4"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mn4Co4Ge4Ga
_chemical_formula_sum "Mn4 Co4 Ge4 Ga1"
_cell_length_a 3.82385196
_cell_length_b 5.9037076
_cell_length_c 6.901116699999999
_cell_angle_alpha 89.99795725
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 22418822-b0c8-46ac-99a8-e5d5325f8b0d | mp-1111080 | Insert a H atom in the line between atoms at indices 1 and 6, and the inserted atom must be 2.04 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K3GaF6
_chemical_formula_sum "K3 Ga1 F6"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_spa... | data_image0
_chemical_formula_structural K3GaF6H
_chemical_formula_sum "K3 Ga1 F6 H1"
_cell_length_a 6.15047484
_cell_length_b 6.15047484
_cell_length_c 6.15047484
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... |
InsertBetweenAtomsAction | 31882281-ed1c-4bac-85f6-5d6fdee9f034 | mp-1237261 | Insert a Ce atom in the line between atoms at indices 14 and 6, and the inserted atom must be 0.83 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ba3MnF12
_chemical_formula_sum "Ba3 Mn1 F12"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_space_grou... | data_image0
_chemical_formula_structural Ba3MnF12Ce
_chemical_formula_sum "Ba3 Mn1 F12 Ce1"
_cell_length_a 8.16736363
_cell_length_b 8.16736363
_cell_length_c 6.800095679999999
_cell_angle_alpha 88.67356185
_cell_angle_beta 88.67356185
_cell_angle_gamma 119.35473064
_spac... |
InsertBetweenAtomsAction | 2a252685-d8cd-4895-8a3b-f5e5b6ee5b29 | mp-1198355 | Insert a Fm atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.98 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Fm
_chemical_formula_sum "Sr4 B22 O44 Fm1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3af51547-5060-42e3-aee2-8044112edf8a | mp-1519604 | Insert a Sr atom in the line between atoms at indices 14 and 17, and the inserted atom must be 3.43 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sr4Eu2W2O12
_chemical_formula_sum "Sr4 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_group_... | data_image0
_chemical_formula_structural Sr4Eu2W2O12Sr
_chemical_formula_sum "Sr5 Eu2 W2 O12"
_cell_length_a 5.88026664
_cell_length_b 6.07182821
_cell_length_c 8.43527617
_cell_angle_alpha 89.97895811
_cell_angle_beta 90.46221734
_cell_angle_gamma 89.98973499
_space_grou... |
InsertBetweenAtomsAction | 810ef07d-99b5-4d2b-bdc2-65e477d5e660 | mp-753615 | Insert a Er atom in the line between atoms at indices 3 and 10, and the inserted atom must be 1.21 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Er
_chemical_formula_sum "Li3 Mn3 O4 F4 Er1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
InsertBetweenAtomsAction | a035d4a4-c056-4ffd-a6f7-433e5552697a | mp-14550 | Insert a Xe atom in the line between atoms at indices 0 and 11, and the inserted atom must be 2.67 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ti4Cd4O12
_chemical_formula_sum "Ti4 Cd4 O12"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_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 Ti4Cd4O12Xe
_chemical_formula_sum "Ti4 Cd4 O12 Xe1"
_cell_length_a 5.369678
_cell_length_b 5.486639
_cell_length_c 7.718095
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | 054e4a22-2e04-4d01-abd1-708d0be4d09a | mp-753161 | Insert a Pu atom in the line between atoms at indices 25 and 22, and the inserted atom must be 2.74 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li8V4O8F8
_chemical_formula_sum "Li8 V4 O8 F8"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_space_g... | data_image0
_chemical_formula_structural Li8V4O8F8Pu
_chemical_formula_sum "Li8 V4 O8 F8 Pu1"
_cell_length_a 5.84904216
_cell_length_b 10.165467960000003
_cell_length_c 5.97356504
_cell_angle_alpha 106.60283058
_cell_angle_beta 60.71069946
_cell_angle_gamma 90.03257767
_s... |
InsertBetweenAtomsAction | 1bd779b7-ff72-4dbb-8b72-3081754fc17d | mp-677070 | Insert a Ti atom in the line between atoms at indices 33 and 31, and the inserted atom must be 1.30 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural V18Ni2O30
_chemical_formula_sum "V18 Ni2 O30"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V18Ni2O30Ti
_chemical_formula_sum "V18 Ni2 O30 Ti1"
_cell_length_a 7.534096
_cell_length_b 8.8214313
_cell_length_c 9.09382388
_cell_angle_alpha 80.76396242
_cell_angle_beta 71.80909095
_cell_angle_gamma 67.0160077
_space_group_nam... |
InsertBetweenAtomsAction | 06c30bec-fa9e-4bde-8a13-1c5d6a708fa7 | mp-23675 | Insert a Bh atom in the line between atoms at indices 0 and 11, and the inserted atom must be 3.24 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2Bh
_chemical_formula_sum "H8 Br2 N2 Bh1"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | bd393c9e-7c16-41b7-96c3-c40383b8470b | mp-761404 | Insert a Lu atom in the line between atoms at indices 22 and 21, and the inserted atom must be 3.76 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Co10Cu2O16
_chemical_formula_sum "Co10 Cu2 O16"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamma 9... | data_image0
_chemical_formula_structural Co10Cu2O16Lu
_chemical_formula_sum "Co10 Cu2 O16 Lu1"
_cell_length_a 5.70306307
_cell_length_b 9.970635759999999
_cell_length_c 5.7029860900000005
_cell_angle_alpha 73.38625429000001
_cell_angle_beta 119.99147556000001
_cell_angle_gamm... |
InsertBetweenAtomsAction | a016e8b6-33c7-4212-8210-bc67a4335a75 | mp-30210 | Insert a Sb atom in the line between atoms at indices 12 and 6, and the inserted atom must be 3.78 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural La10Sn6Cl2
_chemical_formula_sum "La10 Sn6 Cl2"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_space_gr... | data_image0
_chemical_formula_structural La10Sn6Cl2Sb
_chemical_formula_sum "La10 Sn6 Cl2 Sb1"
_cell_length_a 9.64466193
_cell_length_b 9.64465667
_cell_length_c 6.98350171
_cell_angle_alpha 90.00002461
_cell_angle_beta 89.99999048
_cell_angle_gamma 119.99997646999998
_sp... |
InsertBetweenAtomsAction | 0debf46d-4f86-407c-a53a-6f0ca140cb68 | mp-1226157 | Insert a Ba atom in the line between atoms at indices 4 and 15, and the inserted atom must be 1.00 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Cs2TiW3O12
_chemical_formula_sum "Cs2 Ti1 W3 O12"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60.40379... | data_image0
_chemical_formula_structural Cs2TiW3O12Ba
_chemical_formula_sum "Cs2 Ti1 W3 O12 Ba1"
_cell_length_a 7.25743517
_cell_length_b 7.25743517
_cell_length_c 7.257435400000001
_cell_angle_alpha 60.40379137000001
_cell_angle_beta 60.40379136999999
_cell_angle_gamma 60... |
InsertBetweenAtomsAction | f3a86824-61a2-4ab2-b399-cb5637663bb1 | mp-1177469 | Insert a Pm atom in the line between atoms at indices 20 and 12, and the inserted atom must be 2.67 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li4Mn3Fe3O12
_chemical_formula_sum "Li4 Mn3 Fe3 O12"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_group_n... | data_image0
_chemical_formula_structural Li4Mn3Fe3O12Pm
_chemical_formula_sum "Li4 Mn3 Fe3 O12 Pm1"
_cell_length_a 5.133782
_cell_length_b 6.00692906
_cell_length_c 7.94440924
_cell_angle_alpha 78.7039096
_cell_angle_beta 78.15957972
_cell_angle_gamma 73.05872918
_space_g... |
InsertBetweenAtomsAction | eb46811b-e8dd-4026-8477-ce13641814bc | mp-1210214 | Insert a P atom in the line between atoms at indices 20 and 27, and the inserted atom must be 1.49 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Na2Nb4Bi4O18
_chemical_formula_sum "Na2 Nb4 Bi4 O18"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2Nb4Bi4O18P
_chemical_formula_sum "Na2 Nb4 Bi4 O18 P1"
_cell_length_a 5.58523
_cell_length_b 5.675994
_cell_length_c 12.54198163
_cell_angle_alpha 90.0
_cell_angle_beta 102.86539251
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | a6f4da81-815c-4427-ae6e-da47e3b5ce3e | mp-4584 | Insert a Mg atom in the line between atoms at indices 13 and 4, and the inserted atom must be 5.37 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Tl6B2O6
_chemical_formula_sum "Tl6 B2 O6"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Tl6B2O6Mg
_chemical_formula_sum "Tl6 B2 O6 Mg1"
_cell_length_a 9.28345655
_cell_length_b 9.28345696
_cell_length_c 3.76205605
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999569
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | cbfda0d1-7cac-4798-a8d0-f904e42a9cd2 | mp-1105236 | Insert a W atom in the line between atoms at indices 2 and 14, and the inserted atom must be 0.73 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural FeCu6Sn2S8
_chemical_formula_sum "Fe1 Cu6 Sn2 S8"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_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 FeCu6Sn2S8W
_chemical_formula_sum "Fe1 Cu6 Sn2 S8 W1"
_cell_length_a 7.773067
_cell_length_b 7.773067
_cell_length_c 5.45241
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | c40e6ab2-4ba5-48b5-bd90-7f70ed1d9e29 | mp-1096809 | Insert a Tm atom in the line between atoms at indices 10 and 2, and the inserted atom must be 0.44 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Al8Zn4S16
_chemical_formula_sum "Al8 Zn4 S16"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_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 Al8Zn4S16Tm
_chemical_formula_sum "Al8 Zn4 S16 Tm1"
_cell_length_a 5.910544
_cell_length_b 7.22181
_cell_length_c 12.474986
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
InsertBetweenAtomsAction | d450be70-f4e5-41df-9b6a-487915541496 | mp-6144 | Insert a Hg atom in the line between atoms at indices 11 and 16, and the inserted atom must be 13.46 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na2La2Ti3O10
_chemical_formula_sum "Na2 La2 Ti3 O10"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Na2La2Ti3O10Hg
_chemical_formula_sum "Na2 La2 Ti3 O10 Hg1"
_cell_length_a 14.69641334
_cell_length_b 14.69641334
_cell_length_c 14.696413339999998
_cell_angle_alpha 164.86303529000003
_cell_angle_beta 164.86303529000003
_cell_angle_gam... |
InsertBetweenAtomsAction | b880dd7b-8098-4222-aee1-5934db98d31f | mp-755978 | Insert a Sc atom in the line between atoms at indices 15 and 6, and the inserted atom must be 2.92 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Ni6O2F10
_chemical_formula_sum "Ni6 O2 F10"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_space_g... | data_image0
_chemical_formula_structural Ni6O2F10Sc
_chemical_formula_sum "Ni6 O2 F10 Sc1"
_cell_length_a 5.62698948
_cell_length_b 5.62698948
_cell_length_c 7.28440981
_cell_angle_alpha 72.78738557000001
_cell_angle_beta 72.78738557000001
_cell_angle_gamma 73.13765929
_s... |
InsertBetweenAtomsAction | b9bd8f71-8604-45e4-a5bc-e85a4b8dc989 | mp-7152 | Insert a Si atom in the line between atoms at indices 4 and 6, and the inserted atom must be 1.72 angstrom from atom at 4 in the cif file. | 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 Cs2Zr2Cu2Se6Si
_chemical_formula_sum "Cs2 Zr2 Cu2 Se6 Si1"
_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... |
InsertBetweenAtomsAction | c896f905-d185-42c3-9e28-d4968c2ac9a4 | mp-758323 | Insert a Eu atom in the line between atoms at indices 2 and 13, and the inserted atom must be 4.32 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li2Ti3CoP6O24
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_space_g... | data_image0
_chemical_formula_structural Li2Ti3CoP6O24Eu
_chemical_formula_sum "Li2 Ti3 Co1 P6 O24 Eu1"
_cell_length_a 8.64736777
_cell_length_b 8.64736777
_cell_length_c 8.6473677
_cell_angle_alpha 59.35002677
_cell_angle_beta 59.35002677
_cell_angle_gamma 59.35002351
_s... |
InsertBetweenAtomsAction | 03530ffd-4c76-4ba4-a445-bda0e0c1db9e | mp-30524 | Insert a No atom in the line between atoms at indices 7 and 6, and the inserted atom must be 4.64 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ti12O22
_chemical_formula_sum "Ti12 O22"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_group_na... | data_image0
_chemical_formula_structural Ti12O22No
_chemical_formula_sum "Ti12 O22 No1"
_cell_length_a 5.56435157
_cell_length_b 7.12801541
_cell_length_c 9.73572192
_cell_angle_alpha 89.90935394
_cell_angle_beta 100.53000427
_cell_angle_gamma 108.49487590999999
_space_gr... |
InsertBetweenAtomsAction | 121fdabf-e95b-4461-ab3c-9223e18d63e7 | mp-11639 | Insert a Ho atom in the line between atoms at indices 8 and 11, and the inserted atom must be 2.97 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Rb4Ge2S6
_chemical_formula_sum "Rb4 Ge2 S6"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_space_g... | data_image0
_chemical_formula_structural Rb4Ge2S6Ho
_chemical_formula_sum "Rb4 Ge2 S6 Ho1"
_cell_length_a 6.94579339
_cell_length_b 7.60679798
_cell_length_c 8.73518639
_cell_angle_alpha 72.50630257999998
_cell_angle_beta 66.57329911000001
_cell_angle_gamma 62.83517662
_s... |
InsertBetweenAtomsAction | dcd14ad6-ff36-458a-b1b2-a428f4577390 | mp-556333 | Insert a Ba atom in the line between atoms at indices 12 and 20, and the inserted atom must be 2.59 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural K4Zn2Cu6P6O24F2Ba
_chemical_formula_sum "K4 Zn2 Cu6 P6 O24 F2 Ba1"
_cell_length_a 14.36556291
_cell_length_b 4.87981883
_cell_length_c 7.87006132
_cell_angle_alpha 89.91131838999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_spa... |
InsertBetweenAtomsAction | d79407f7-2e38-40c1-a694-0225e03cdfa5 | mp-1037954 | Insert a La atom in the line between atoms at indices 23 and 49, and the inserted atom must be 2.88 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural CsMg30AlO32
_chemical_formula_sum "Cs1 Mg30 Al1 O32"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_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 CsMg30AlO32La
_chemical_formula_sum "Cs1 Mg30 Al1 O32 La1"
_cell_length_a 8.649622
_cell_length_b 8.649622
_cell_length_c 8.662416
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 90cb0b92-0711-45b1-b6b9-dc623c12d6bf | mp-1176288 | Insert a Tb atom in the line between atoms at indices 4 and 27, and the inserted atom must be 0.50 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Tb
_chemical_formula_sum "Li9 Mn2 Co5 O16 Tb1"
_cell_length_a 11.335053
_cell_length_b 5.183895
_cell_length_c 5.21193958
_cell_angle_alpha 67.51091001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 5b98c76f-2294-4fd1-ba19-f4a21c58768a | mp-1208067 | Insert a Sb atom in the line between atoms at indices 17 and 6, and the inserted atom must be 0.79 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Tm16Cd4Pd4
_chemical_formula_sum "Tm16 Cd4 Pd4"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_group_nam... | data_image0
_chemical_formula_structural Tm16Cd4Pd4Sb
_chemical_formula_sum "Tm16 Cd4 Pd4 Sb1"
_cell_length_a 9.49881182
_cell_length_b 9.49868892
_cell_length_c 9.49875746
_cell_angle_alpha 59.99933265
_cell_angle_beta 59.99960467
_cell_angle_gamma 59.99946519
_space_gro... |
InsertBetweenAtomsAction | 0b2b28b7-2ecf-4712-9da3-8b52a5ed39fb | mp-1205145 | Insert a Pb atom in the line between atoms at indices 7 and 79, and the inserted atom must be 2.22 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na8Ti4Si16H8O52
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_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 Na8Ti4Si16H8O52Pb
_chemical_formula_sum "Na8 Ti4 Si16 H8 O52 Pb1"
_cell_length_a 7.446428
_cell_length_b 8.787016
_cell_length_c 16.530264
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 3eb25b21-ecee-4aee-b00b-4d19366902ee | mp-1033461 | Insert a Yb atom in the line between atoms at indices 11 and 14, and the inserted atom must be 4.57 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural BaMg6CrO8
_chemical_formula_sum "Ba1 Mg6 Cr1 O8"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_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 BaMg6CrO8Yb
_chemical_formula_sum "Ba1 Mg6 Cr1 O8 Yb1"
_cell_length_a 8.75022402
_cell_length_b 4.70931995
_cell_length_c 4.70931995
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 218046ce-bd93-440a-9445-ab7e67153eca | mp-1103256 | Insert a Sg atom in the line between atoms at indices 10 and 6, and the inserted atom must be 1.02 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Fe4Sb4Se4
_chemical_formula_sum "Fe4 Sb4 Se4"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Fe4Sb4Se4Sg
_chemical_formula_sum "Fe4 Sb4 Se4 Sg1"
_cell_length_a 6.09302977
_cell_length_b 6.201098
_cell_length_c 6.20939352
_cell_angle_alpha 113.35185831
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3db0757c-bbfa-47ec-ba2d-ea895fd3a0f1 | mp-1198143 | Insert a Pt atom in the line between atoms at indices 26 and 37, and the inserted atom must be 1.05 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ca4B8H40O4
_chemical_formula_sum "Ca4 B8 H40 O4"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_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 Ca4B8H40O4Pt
_chemical_formula_sum "Ca4 B8 H40 O4 Pt1"
_cell_length_a 6.01929
_cell_length_b 8.052479
_cell_length_c 11.659561
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 3fdbb355-cd78-4170-bb5a-cf51ea209a8f | mp-758053 | Insert a Es atom in the line between atoms at indices 7 and 0, and the inserted atom must be 3.49 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Nb2Cr2O8
_chemical_formula_sum "Nb2 Cr2 O8"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space_group... | data_image0
_chemical_formula_structural Nb2Cr2O8Es
_chemical_formula_sum "Nb2 Cr2 O8 Es1"
_cell_length_a 5.57055069
_cell_length_b 5.57054898
_cell_length_c 5.570557780000001
_cell_angle_alpha 72.86725807
_cell_angle_beta 107.13264135
_cell_angle_gamma 65.74309285
_space... |
InsertBetweenAtomsAction | 25b5805d-0c74-4439-ab4b-ac4dd9258df9 | mp-1221055 | Insert a Ge atom in the line between atoms at indices 46 and 29, and the inserted atom must be 0.92 angstrom from atom at 46 in the cif file. | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 113.8554... | data_image0
_chemical_formula_structural NaMg2Al6VSi6B3H3O31Ge
_chemical_formula_sum "Na1 Mg2 Al6 V1 Si6 B3 H3 O31 Ge1"
_cell_length_a 9.6145201
_cell_length_b 9.6145201
_cell_length_c 7.22996037
_cell_angle_alpha 75.4273574
_cell_angle_beta 75.4273574
_cell_angle_gamma 11... |
InsertBetweenAtomsAction | 37a27fa9-937c-46c2-8fed-64334b794dd6 | mp-23565 | Insert a Rh atom in the line between atoms at indices 5 and 13, and the inserted atom must be 2.46 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Rh
_chemical_formula_sum "Cr4 Ag1 Bi1 O14 Rh1"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498... |
InsertBetweenAtomsAction | 5f24c6a5-d527-4c11-93eb-5976e13357c6 | mp-1233440 | Insert a Fe atom in the line between atoms at indices 21 and 20, and the inserted atom must be 0.68 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural MgGa4P6H6O18
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_name_H-M_... | data_image0
_chemical_formula_structural MgGa4P6H6O18Fe
_chemical_formula_sum "Mg1 Ga4 P6 H6 O18 Fe1"
_cell_length_a 8.51019773
_cell_length_b 8.51019737
_cell_length_c 8.10157161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999685
_space_group_nam... |
InsertBetweenAtomsAction | 585f4f9d-7013-4292-b9eb-a83b9268fe2b | mp-776448 | Insert a Er atom in the line between atoms at indices 11 and 23, and the inserted atom must be 2.15 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba2Nb6N2O14
_chemical_formula_sum "Ba2 Nb6 N2 O14"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space_group... | data_image0
_chemical_formula_structural Ba2Nb6N2O14Er
_chemical_formula_sum "Ba2 Nb6 N2 O14 Er1"
_cell_length_a 10.79420589
_cell_length_b 10.79420589
_cell_length_c 9.12912202
_cell_angle_alpha 89.50859623
_cell_angle_beta 89.50859623
_cell_angle_gamma 20.7547255
_space... |
InsertBetweenAtomsAction | 899e855f-7286-4a7a-98ae-5b119ad8699a | mp-850204 | Insert a Th atom in the line between atoms at indices 10 and 3, and the inserted atom must be 4.25 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li5Co2O2F5
_chemical_formula_sum "Li5 Co2 O2 F5"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma 16.... | data_image0
_chemical_formula_structural Li5Co2O2F5Th
_chemical_formula_sum "Li5 Co2 O2 F5 Th1"
_cell_length_a 14.62900426
_cell_length_b 14.629004259999999
_cell_length_c 14.629004259999999
_cell_angle_alpha 168.43291069000003
_cell_angle_beta 168.43291069
_cell_angle_gamma ... |
InsertBetweenAtomsAction | c0da1524-8f15-499c-869d-1276b4e40f6b | mp-761075 | Insert a Te atom in the line between atoms at indices 1 and 55, and the inserted atom must be 1.12 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ni4P16O44
_chemical_formula_sum "Ni4 P16 O44"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
_spac... | data_image0
_chemical_formula_structural Ni4P16O44Te
_chemical_formula_sum "Ni4 P16 O44 Te1"
_cell_length_a 9.172254
_cell_length_b 9.20584772
_cell_length_c 10.69975843
_cell_angle_alpha 108.96845521999998
_cell_angle_beta 108.18002872
_cell_angle_gamma 90.91766442999999
... |
InsertBetweenAtomsAction | fe11322c-ec84-405c-9906-8fd85f615d1b | mp-1221008 | Insert a Hf atom in the line between atoms at indices 75 and 25, and the inserted atom must be 1.05 angstrom from atom at 75 in the cif file. | data_image0
_chemical_formula_structural Nd9Ni24Sn49
_chemical_formula_sum "Nd9 Ni24 Sn49"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_space_grou... | data_image0
_chemical_formula_structural Nd9Ni24Sn49Hf
_chemical_formula_sum "Nd9 Ni24 Sn49 Hf1"
_cell_length_a 10.40052865
_cell_length_b 10.40052865
_cell_length_c 17.11282481
_cell_angle_alpha 89.88282626
_cell_angle_beta 89.88282626
_cell_angle_gamma 70.72407511
_spac... |
InsertBetweenAtomsAction | 38fe41b5-a5c5-4a66-8485-f8d958f06e41 | mp-1022621 | Insert a Eu atom in the line between atoms at indices 9 and 10, and the inserted atom must be 1.30 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg12Zn2Cu2
_chemical_formula_sum "Mg12 Zn2 Cu2"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_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 Mg12Zn2Cu2Eu
_chemical_formula_sum "Mg12 Zn2 Cu2 Eu1"
_cell_length_a 4.944464
_cell_length_b 5.998818
_cell_length_c 10.550665
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | f5ba4520-7a6b-4e5e-aeac-3fa071d79d17 | mp-1195048 | Insert a W atom in the line between atoms at indices 51 and 35, and the inserted atom must be 0.98 angstrom from atom at 51 in the cif file. | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.318122... | data_image0
_chemical_formula_structural Na2Ca2Mn6Si10H2O30W
_chemical_formula_sum "Na2 Ca2 Mn6 Si10 H2 O30 W1"
_cell_length_a 6.88200997
_cell_length_b 7.80432588
_cell_length_c 12.1280066
_cell_angle_alpha 110.93483247
_cell_angle_beta 84.50278834
_cell_angle_gamma 94.31... |
InsertBetweenAtomsAction | a713c0a5-2f5e-429c-85c6-4c1a2fc8f06c | mp-1520689 | Insert a Ge atom in the line between atoms at indices 4 and 11, and the inserted atom must be 2.89 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural BaSrTi4O12
_chemical_formula_sum "Ba1 Sr1 Ti4 O12"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_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 BaSrTi4O12Ge
_chemical_formula_sum "Ba1 Sr1 Ti4 O12 Ge1"
_cell_length_a 5.5757866
_cell_length_b 5.5757866
_cell_length_c 7.87964887
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 98404fff-51a2-4e46-a3c3-1094061124d4 | mp-1208808 | Insert a Rb atom in the line between atoms at indices 8 and 2, and the inserted atom must be 4.18 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sr4Li2Te2O12
_chemical_formula_sum "Sr4 Li2 Te2 O12"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Sr4Li2Te2O12Rb
_chemical_formula_sum "Sr4 Li2 Te2 O12 Rb1"
_cell_length_a 5.679665
_cell_length_b 5.67929352
_cell_length_c 8.070007170000002
_cell_angle_alpha 90.08535325
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 607ff26f-4bb9-4332-adb2-55cd7f898dc5 | mp-649415 | Insert a At atom in the line between atoms at indices 22 and 25, and the inserted atom must be 2.21 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural K4Bi4N4Cl12O12At
_chemical_formula_sum "K4 Bi4 N4 Cl12 O12 At1"
_cell_length_a 8.531401
_cell_length_b 10.022379
_cell_length_c 10.45207687
_cell_angle_alpha 67.52483892000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gro... |
InsertBetweenAtomsAction | 75571c09-1631-4e8b-aee5-4fb33a7037ef | mp-540267 | Insert a Sb atom in the line between atoms at indices 7 and 16, and the inserted atom must be 2.91 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Cr2P4O14
_chemical_formula_sum "Cr2 P4 O14"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_group_n... | data_image0
_chemical_formula_structural Cr2P4O14Sb
_chemical_formula_sum "Cr2 P4 O14 Sb1"
_cell_length_a 6.335876
_cell_length_b 6.415262979999999
_cell_length_c 6.90502087
_cell_angle_alpha 89.08847891
_cell_angle_beta 113.74398703
_cell_angle_gamma 94.57539448
_space_g... |
InsertBetweenAtomsAction | 47857550-9793-4fdb-ad23-967f41640ef0 | mp-21322 | Insert a Ar atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.56 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural V2Pb3O8
_chemical_formula_sum "V2 Pb3 O8"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734139999... | data_image0
_chemical_formula_structural V2Pb3O8Ar
_chemical_formula_sum "V2 Pb3 O8 Ar1"
_cell_length_a 7.54608979
_cell_length_b 7.546089790000001
_cell_length_c 7.54609002
_cell_angle_alpha 45.30973056999999
_cell_angle_beta 45.309730570000006
_cell_angle_gamma 45.309734... |
InsertBetweenAtomsAction | 1fd72c45-e329-4566-8416-3a38c9238ed4 | mp-685444 | Insert a Tb atom in the line between atoms at indices 58 and 24, and the inserted atom must be 3.41 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural Mg11Fe30O56
_chemical_formula_sum "Mg11 Fe30 O56"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.03193310000001
_s... | data_image0
_chemical_formula_structural Mg11Fe30O56Tb
_chemical_formula_sum "Mg11 Fe30 O56 Tb1"
_cell_length_a 6.019515
_cell_length_b 6.024068190000001
_cell_length_c 34.58633018
_cell_angle_alpha 85.08342474
_cell_angle_beta 85.01700373
_cell_angle_gamma 60.031933100000... |
InsertBetweenAtomsAction | 4d1bbfa6-c43c-4c57-b66e-889bff3a2c89 | mp-1182197 | Insert a Br atom in the line between atoms at indices 11 and 13, and the inserted atom must be 3.40 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12Br
_chemical_formula_sum "Nd4 Mn4 O12 Br1"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a790daeb-9609-45c7-8802-60d4e390d8e7 | mp-1029037 | Insert a Ac atom in the line between atoms at indices 7 and 6, and the inserted atom must be 16.46 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MoW3Se2S6
_chemical_formula_sum "Mo1 W3 Se2 S6"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural MoW3Se2S6Ac
_chemical_formula_sum "Mo1 W3 Se2 S6 Ac1"
_cell_length_a 3.21988457
_cell_length_b 3.21988457
_cell_length_c 36.406804
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001172
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | b96c4374-cd75-4d33-b245-5e2923f75236 | mp-1205276 | Insert a Ir atom in the line between atoms at indices 1 and 16, and the inserted atom must be 4.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ru4N24Cl12O8
_chemical_formula_sum "Ru4 N24 Cl12 O8"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_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 Ru4N24Cl12O8Ir
_chemical_formula_sum "Ru4 N24 Cl12 O8 Ir1"
_cell_length_a 7.600382
_cell_length_b 11.419559
_cell_length_c 13.827968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 19c5ebe1-d42c-406b-ab0d-1e4600a1840b | mp-2218579 | Insert a Tb atom in the line between atoms at indices 7 and 5, and the inserted atom must be 1.78 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na2MgCu4O6
_chemical_formula_sum "Na2 Mg1 Cu4 O6"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na2MgCu4O6Tb
_chemical_formula_sum "Na2 Mg1 Cu4 O6 Tb1"
_cell_length_a 4.27997979
_cell_length_b 9.66600533
_cell_length_c 3.85086784
_cell_angle_alpha 90.0
_cell_angle_beta 80.78352214
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 4f4f34f3-e602-4116-b2d3-84028a24dbb0 | mp-1037436 | Insert a Hs atom in the line between atoms at indices 16 and 63, and the inserted atom must be 3.63 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural YMg30CdO32
_chemical_formula_sum "Y1 Mg30 Cd1 O32"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_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 YMg30CdO32Hs
_chemical_formula_sum "Y1 Mg30 Cd1 O32 Hs1"
_cell_length_a 8.648656
_cell_length_b 8.648656
_cell_length_c 8.694971
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 4d00ceea-ee51-4f37-a580-28c5450411b0 | mp-567566 | Insert a Cd atom in the line between atoms at indices 10 and 0, and the inserted atom must be 1.69 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ho7FeI12
_chemical_formula_sum "Ho7 Fe1 I12"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_space_gr... | data_image0
_chemical_formula_structural Ho7FeI12Cd
_chemical_formula_sum "Ho7 Fe1 I12 Cd1"
_cell_length_a 9.63303313
_cell_length_b 9.63303336
_cell_length_c 9.633033229999999
_cell_angle_alpha 107.05682541
_cell_angle_beta 107.05682423
_cell_angle_gamma 107.05683085
_sp... |
InsertBetweenAtomsAction | 3d928a2d-b2f3-4918-8561-09d1a5f7e0a5 | mp-540477 | Insert a Ce atom in the line between atoms at indices 4 and 2, and the inserted atom must be 3.87 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Ce
_chemical_formula_sum "Li2 Mn1 P4 O12 Ce1"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.9886620000000... |
InsertBetweenAtomsAction | ad913699-070e-4247-8b28-f3f294455a82 | mp-2459381 | Insert a Cu atom in the line between atoms at indices 0 and 6, and the inserted atom must be 1.38 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural W2Br4O4
_chemical_formula_sum "W2 Br4 O4"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_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 W2Br4O4Cu
_chemical_formula_sum "W2 Br4 O4 Cu1"
_cell_length_a 3.85105356
_cell_length_b 7.70105544
_cell_length_c 8.98355385
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 9e99c06c-c2ea-42f0-9208-53b5dfd748c1 | mp-1182082 | Insert a Pd atom in the line between atoms at indices 5 and 12, and the inserted atom must be 1.24 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ca2Al2O4F8
_chemical_formula_sum "Ca2 Al2 O4 F8"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066999998... | data_image0
_chemical_formula_structural Ca2Al2O4F8Pd
_chemical_formula_sum "Ca2 Al2 O4 F8 Pd1"
_cell_length_a 4.977718
_cell_length_b 6.81246392
_cell_length_c 7.06145267
_cell_angle_alpha 97.85664077999999
_cell_angle_beta 93.78255747000001
_cell_angle_gamma 108.87985066... |
InsertBetweenAtomsAction | 66259820-f288-487c-bae9-9b4f9594c959 | mp-554704 | Insert a Xe atom in the line between atoms at indices 27 and 28, and the inserted atom must be 0.97 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ti4P4H4O20
_chemical_formula_sum "Ti4 P4 H4 O20"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ti4P4H4O20Xe
_chemical_formula_sum "Ti4 P4 H4 O20 Xe1"
_cell_length_a 7.16377
_cell_length_b 7.48501
_cell_length_c 7.485935499999999
_cell_angle_alpha 63.15581535999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | c2542309-407d-48d9-a96c-e08133f39a7d | mp-1247259 | Insert a Cn atom in the line between atoms at indices 8 and 2, and the inserted atom must be 1.79 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ca6Rh2N6
_chemical_formula_sum "Ca6 Rh2 N6"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ca6Rh2N6Cn
_chemical_formula_sum "Ca6 Rh2 N6 Cn1"
_cell_length_a 7.29271414
_cell_length_b 7.29724511
_cell_length_c 4.95551802
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.77866697999998
_space_group_name_H-M... |
InsertBetweenAtomsAction | ced9f90d-898b-40b0-9edf-d212b0a64bec | mp-1347506 | Insert a Au atom in the line between atoms at indices 16 and 9, and the inserted atom must be 6.66 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12
_chemical_formula_sum "Mg4 Cu2 Ir2 O12"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Cu2Ir2O12Au
_chemical_formula_sum "Mg4 Cu2 Ir2 O12 Au1"
_cell_length_a 5.303478
_cell_length_b 5.072948
_cell_length_c 9.16550183
_cell_angle_alpha 57.35212348
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 393f4ed6-a998-4018-b153-1bd4aa608569 | mp-1203790 | Insert a Hf atom in the line between atoms at indices 5 and 13, and the inserted atom must be 5.56 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Si68
_chemical_formula_sum "Si68"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Si68Hf
_chemical_formula_sum "Si68 Hf1"
_cell_length_a 10.36662954
_cell_length_b 10.36662717
_cell_length_c 16.97027249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99996436
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 5e4e9ca7-d88b-4a8e-b5bb-166df212c706 | mp-778833 | Insert a F atom in the line between atoms at indices 4 and 13, and the inserted atom must be 1.02 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Co6O6F6
_chemical_formula_sum "Co6 O6 F6"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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 Co6O6F7
_chemical_formula_sum "Co6 O6 F7"
_cell_length_a 4.481577
_cell_length_b 4.508992
_cell_length_c 8.998599
_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... |
InsertBetweenAtomsAction | ffcaf0fc-283c-4ac9-9bd9-df880687b96c | mp-1045551 | Insert a Fe atom in the line between atoms at indices 7 and 13, and the inserted atom must be 2.34 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg2Fe4O8
_chemical_formula_sum "Mg2 Fe4 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_space... | data_image0
_chemical_formula_structural Mg2Fe4O8Fe
_chemical_formula_sum "Mg2 Fe5 O8"
_cell_length_a 5.96618767
_cell_length_b 5.96618767
_cell_length_c 5.96618767
_cell_angle_alpha 118.66061098
_cell_angle_beta 118.46925667999999
_cell_angle_gamma 92.50419208000001
_spa... |
InsertBetweenAtomsAction | 461c861e-6da7-445e-b665-32dac0b432b8 | mp-559052 | Insert a Er atom in the line between atoms at indices 3 and 39, and the inserted atom must be 3.81 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li2Nb6Bi8O28
_chemical_formula_sum "Li2 Nb6 Bi8 O28"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space_group... | data_image0
_chemical_formula_structural Li2Nb6Bi8O28Er
_chemical_formula_sum "Li2 Nb6 Bi8 O28 Er1"
_cell_length_a 7.6946639
_cell_length_b 7.6946639
_cell_length_c 12.25300206
_cell_angle_alpha 80.05054554
_cell_angle_beta 80.05054554
_cell_angle_gamma 60.84877041
_space... |
InsertBetweenAtomsAction | 1307da00-9822-4720-a886-3fc9abcc8672 | mp-753615 | Insert a Ru atom in the line between atoms at indices 3 and 1, and the inserted atom must be 1.38 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li3Mn3O4F4
_chemical_formula_sum "Li3 Mn3 O4 F4"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_group_n... | data_image0
_chemical_formula_structural Li3Mn3O4F4Ru
_chemical_formula_sum "Li3 Mn3 O4 F4 Ru1"
_cell_length_a 5.80379245
_cell_length_b 6.04470894
_cell_length_c 6.07094529
_cell_angle_alpha 61.13841958
_cell_angle_beta 90.00006757
_cell_angle_gamma 118.69020598
_space_g... |
InsertBetweenAtomsAction | 5868e942-9a8e-4548-895b-7b6069344c30 | mp-769018 | Insert a Ta atom in the line between atoms at indices 40 and 27, and the inserted atom must be 2.77 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48Ta
_chemical_formula_sum "Li4 Fe8 S12 O48 Ta1"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 9cb9bbeb-860d-422a-acff-3cfbd64560ee | mp-1212062 | Insert a Bi atom in the line between atoms at indices 11 and 17, and the inserted atom must be 0.95 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural K8Dy4Cl20
_chemical_formula_sum "K8 Dy4 Cl20"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_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 K8Dy4Cl20Bi
_chemical_formula_sum "K8 Dy4 Cl20 Bi1"
_cell_length_a 7.91673287
_cell_length_b 8.54467974
_cell_length_c 12.66536278
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 91495043-8dcb-48dc-b071-5d1505108b4d | mp-2218660 | Insert a Ni atom in the line between atoms at indices 6 and 5, and the inserted atom must be 3.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Na4MgBi2O6
_chemical_formula_sum "Na4 Mg1 Bi2 O6"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000001
_... | data_image0
_chemical_formula_structural Na4MgBi2O6Ni
_chemical_formula_sum "Na4 Mg1 Bi2 O6 Ni1"
_cell_length_a 6.34905994
_cell_length_b 6.41998489
_cell_length_c 6.011830709999999
_cell_angle_alpha 82.04947734
_cell_angle_beta 99.38249075
_cell_angle_gamma 59.92394204000... |
InsertBetweenAtomsAction | 73919dfa-691c-4e73-bdf1-ec05a8e2fe83 | mp-758762 | Insert a Yb atom in the line between atoms at indices 20 and 0, and the inserted atom must be 2.20 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li4Fe4P8O28
_chemical_formula_sum "Li4 Fe4 P8 O28"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Fe4P8O28Yb
_chemical_formula_sum "Li4 Fe4 P8 O28 Yb1"
_cell_length_a 8.064649
_cell_length_b 4.948896
_cell_length_c 14.20387287
_cell_angle_alpha 79.33603324
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | f38e608f-6320-4dfa-9288-2d75140dfd96 | mp-1304017 | Insert a Ni atom in the line between atoms at indices 8 and 10, and the inserted atom must be 4.01 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Li4Mn6Co2O16
_chemical_formula_sum "Li4 Mn6 Co2 O16"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31659584... | data_image0
_chemical_formula_structural Li4Mn6Co2O16Ni
_chemical_formula_sum "Li4 Mn6 Co2 O16 Ni1"
_cell_length_a 5.82743684
_cell_length_b 8.45367559
_cell_length_c 5.830694329999999
_cell_angle_alpha 90.00683183
_cell_angle_beta 89.99829138999999
_cell_angle_gamma 90.31... |
InsertBetweenAtomsAction | 10d62e17-73f9-47bf-ad3e-296613bb4491 | mp-1224634 | Insert a He atom in the line between atoms at indices 34 and 27, and the inserted atom must be 4.29 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural In9Ga3Bi4S24
_chemical_formula_sum "In9 Ga3 Bi4 S24"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural In9Ga3Bi4S24He
_chemical_formula_sum "In9 Ga3 Bi4 S24 He1"
_cell_length_a 3.884257
_cell_length_b 20.47284027
_cell_length_c 12.59901753
_cell_angle_alpha 83.63688405
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
InsertBetweenAtomsAction | 033e7786-1bbe-4810-8008-ef9756e4c1c4 | mp-541971 | Insert a H atom in the line between atoms at indices 0 and 2, and the inserted atom must be 0.74 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tm2Ni12P7
_chemical_formula_sum "Tm2 Ni12 P7"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
_sp... | data_image0
_chemical_formula_structural Tm2Ni12P7H
_chemical_formula_sum "Tm2 Ni12 P7 H1"
_cell_length_a 8.95021444
_cell_length_b 8.95019988
_cell_length_c 3.6448585100000006
_cell_angle_alpha 89.99999178
_cell_angle_beta 90.00000702
_cell_angle_gamma 119.99714150999999
... |
InsertBetweenAtomsAction | b5c6236e-09f5-4ec3-b363-71ba3a85fc5a | mp-1247520 | Insert a Sn atom in the line between atoms at indices 4 and 5, and the inserted atom must be 1.68 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca6Re4N8
_chemical_formula_sum "Ca6 Re4 N8"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_group_n... | data_image0
_chemical_formula_structural Ca6Re4N8Sn
_chemical_formula_sum "Ca6 Re4 N8 Sn1"
_cell_length_a 7.07157795
_cell_length_b 9.1900106
_cell_length_c 5.36736206
_cell_angle_alpha 90.00000385
_cell_angle_beta 93.61192825000002
_cell_angle_gamma 130.52539222
_space_g... |
InsertBetweenAtomsAction | 0b148eb1-5166-4c23-9492-70d0427c7b40 | mp-1172905 | Insert a Ni atom in the line between atoms at indices 7 and 0, and the inserted atom must be 1.25 angstrom from atom at 7 in the cif file. | 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 Ag3Bi3S6Ni
_chemical_formula_sum "Ag3 Bi3 S6 Ni1"
_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 ... |
InsertBetweenAtomsAction | 46e12294-4962-4f43-93cd-c8c4e9926976 | mp-772276 | Insert a Lu atom in the line between atoms at indices 20 and 12, and the inserted atom must be 1.30 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Cr4P4O20
_chemical_formula_sum "Cr4 P4 O20"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059046
_... | data_image0
_chemical_formula_structural Cr4P4O20Lu
_chemical_formula_sum "Cr4 P4 O20 Lu1"
_cell_length_a 5.180952
_cell_length_b 8.38677856
_cell_length_c 9.309508530000002
_cell_angle_alpha 102.25086210999999
_cell_angle_beta 104.36657557999999
_cell_angle_gamma 91.41059... |
InsertBetweenAtomsAction | a0af2e42-0988-4915-bc7a-a2cef8087ec7 | mp-28092 | Insert a Mc atom in the line between atoms at indices 40 and 61, and the inserted atom must be 7.94 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural B40H52O2
_chemical_formula_sum "B40 H52 O2"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_group_name... | data_image0
_chemical_formula_structural B40H52O2Mc
_chemical_formula_sum "B40 H52 O2 Mc1"
_cell_length_a 13.41078563
_cell_length_b 13.41078563
_cell_length_c 10.39757687
_cell_angle_alpha 84.05207654
_cell_angle_beta 84.05207654
_cell_angle_gamma 33.33214107
_space_grou... |
InsertBetweenAtomsAction | a1e33b7a-6cda-46ad-9183-2de1748c5a26 | mp-1519716 | Insert a Co atom in the line between atoms at indices 9 and 33, and the inserted atom must be 1.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Pr4Mg4Bi8O24
_chemical_formula_sum "Pr4 Mg4 Bi8 O24"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_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 Pr4Mg4Bi8O24Co
_chemical_formula_sum "Pr4 Mg4 Bi8 O24 Co1"
_cell_length_a 8.43650062
_cell_length_b 8.43650062
_cell_length_c 8.43650062
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 1c4da649-416b-4174-b1af-5d798d8a35b6 | mp-1197452 | Insert a Sc atom in the line between atoms at indices 27 and 33, and the inserted atom must be 0.35 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Ni4P4C20O8
_chemical_formula_sum "Ni4 P4 C20 O8"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ni4P4C20O8Sc
_chemical_formula_sum "Ni4 P4 C20 O8 Sc1"
_cell_length_a 7.12980752
_cell_length_b 10.5379638
_cell_length_c 12.190615
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 83.76935544
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4241a154-edd1-495f-bd19-fe25af2efb97 | mp-1227514 | Insert a Eu atom in the line between atoms at indices 20 and 3, and the inserted atom must be 1.79 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14
_chemical_formula_sum "Ca4 Ga4 Ge2 O14"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Ca4Ga4Ge2O14Eu
_chemical_formula_sum "Ca4 Ga4 Ge2 O14 Eu1"
_cell_length_a 7.979943
_cell_length_b 5.257897
_cell_length_c 7.995302279999999
_cell_angle_alpha 89.98483636
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | eb054f63-db1b-4068-a3c9-fee6d7879e17 | mp-17461 | Insert a Re atom in the line between atoms at indices 10 and 18, and the inserted atom must be 1.04 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28Re
_chemical_formula_sum "Na4 Ti4 P8 O28 Re1"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
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