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 | 3f7edac6-ae8d-4c54-abb7-551fb76c49dd | mp-1101787 | Insert a Ac atom in the line between atoms at indices 10 and 9, and the inserted atom must be 1.94 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural La2Si10
_chemical_formula_sum "La2 Si10"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.62230927999999
... | data_image0
_chemical_formula_structural La2Si10Ac
_chemical_formula_sum "La2 Si10 Ac1"
_cell_length_a 7.8028555
_cell_length_b 7.8028555
_cell_length_c 8.434587650000001
_cell_angle_alpha 72.19401657999998
_cell_angle_beta 72.19401657999998
_cell_angle_gamma 29.6223092799... |
InsertBetweenAtomsAction | 50efef4a-5b12-49db-9959-749ff7d1b1e8 | mp-1220847 | Insert a Ho atom in the line between atoms at indices 15 and 17, and the inserted atom must be 2.94 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17
_chemical_formula_sum "Na6 Sm4 Ge4 Se17"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000001
_... | data_image0
_chemical_formula_structural Na6Sm4Ge4Se17Ho
_chemical_formula_sum "Na6 Sm4 Ge4 Se17 Ho1"
_cell_length_a 12.81247054
_cell_length_b 12.81247054
_cell_length_c 6.99168961
_cell_angle_alpha 78.20347702
_cell_angle_beta 78.20347702
_cell_angle_gamma 51.53427954000... |
InsertBetweenAtomsAction | 64d56830-9418-41c5-9441-73c928c99835 | mp-1214585 | Insert a Tm atom in the line between atoms at indices 3 and 11, and the inserted atom must be 4.18 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba2PrCu3O6
_chemical_formula_sum "Ba2 Pr1 Cu3 O6"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_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 Ba2PrCu3O6Tm
_chemical_formula_sum "Ba2 Pr1 Cu3 O6 Tm1"
_cell_length_a 3.927893
_cell_length_b 3.927893
_cell_length_c 12.23912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | d6c6f93a-f50d-4080-bfe9-9d6575fa40a5 | mp-756100 | Insert a Sb atom in the line between atoms at indices 0 and 4, and the inserted atom must be 2.83 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 Li2Fe2F8Sb
_chemical_formula_sum "Li2 Fe2 F8 Sb1"
_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
_s... |
InsertBetweenAtomsAction | 08ea4614-4080-4358-afe5-21fef282d43f | mp-22420 | Insert a Li atom in the line between atoms at indices 10 and 23, and the inserted atom must be 2.59 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Cu4Te4O16
_chemical_formula_sum "Cu4 Te4 O16"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Cu4Te4O16Li
_chemical_formula_sum "Cu4 Te4 O16 Li1"
_cell_length_a 4.70645473
_cell_length_b 5.51570528
_cell_length_c 10.33112996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.43003011999998
_space_group_name_H... |
InsertBetweenAtomsAction | 371d6b0b-428a-4cc9-af39-f0920b466c7a | mp-1445089 | Insert a Pu atom in the line between atoms at indices 7 and 6, and the inserted atom must be 5.92 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mo4O12
_chemical_formula_sum "Mo4 O12"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mo4O12Pu
_chemical_formula_sum "Mo4 O12 Pu1"
_cell_length_a 5.400018
_cell_length_b 5.44034024
_cell_length_c 7.79665768
_cell_angle_alpha 89.52433034
_cell_angle_beta 89.10702316
_cell_angle_gamma 87.8653719
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 68203c20-1efb-47dd-820a-171180ca15f9 | mp-1037834 | Insert a Rn atom in the line between atoms at indices 3 and 34, and the inserted atom must be 2.18 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural CaMg30SnO32
_chemical_formula_sum "Ca1 Mg30 Sn1 O32"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_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 CaMg30SnO32Rn
_chemical_formula_sum "Ca1 Mg30 Sn1 O32 Rn1"
_cell_length_a 8.637652
_cell_length_b 8.637652
_cell_length_c 8.633019
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ac440408-a348-4c26-a941-5a1c1611c45b | mp-27442 | Insert a Mt atom in the line between atoms at indices 17 and 6, and the inserted atom must be 4.52 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Rb4Cr4I12
_chemical_formula_sum "Rb4 Cr4 I12"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_space_grou... | data_image0
_chemical_formula_structural Rb4Cr4I12Mt
_chemical_formula_sum "Rb4 Cr4 I12 Mt1"
_cell_length_a 8.11166476
_cell_length_b 8.11166476
_cell_length_c 14.42091642
_cell_angle_alpha 84.76938546
_cell_angle_beta 84.76938546
_cell_angle_gamma 60.11998986000001
_spac... |
InsertBetweenAtomsAction | 027f9e76-aca9-4b88-ba23-3c6d9b6f53cd | mp-756380 | Insert a Sc atom in the line between atoms at indices 15 and 5, and the inserted atom must be 1.52 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
_spac... | data_image0
_chemical_formula_structural Li4Ti3Mn3W2O16Sc
_chemical_formula_sum "Li4 Ti3 Mn3 W2 O16 Sc1"
_cell_length_a 6.15143785
_cell_length_b 6.04086671
_cell_length_c 9.86907192
_cell_angle_alpha 90.23716336
_cell_angle_beta 91.54654732
_cell_angle_gamma 119.71010629
... |
InsertBetweenAtomsAction | b6f1ddfe-4a48-4777-8204-5c684242b48e | mp-3887 | Insert a Ni atom in the line between atoms at indices 16 and 34, and the inserted atom must be 2.33 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Li24Ga8N16
_chemical_formula_sum "Li24 Ga8 N16"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.47038533000001
_s... | data_image0
_chemical_formula_structural Li24Ga8N16Ni
_chemical_formula_sum "Li24 Ga8 N16 Ni1"
_cell_length_a 8.28699076
_cell_length_b 8.28700506
_cell_length_c 8.2869912
_cell_angle_alpha 109.47035236
_cell_angle_beta 109.47043864999999
_cell_angle_gamma 109.470385330000... |
InsertBetweenAtomsAction | 8fb72833-07e9-4241-9706-2f63ad19f881 | mp-504603 | Insert a Cd atom in the line between atoms at indices 5 and 1, and the inserted atom must be 2.14 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Cs2TlFeF6
_chemical_formula_sum "Cs2 Tl1 Fe1 F6"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Cs2TlFeF6Cd
_chemical_formula_sum "Cs2 Tl1 Fe1 F6 Cd1"
_cell_length_a 6.63629189
_cell_length_b 6.636291890000001
_cell_length_c 6.63629189
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.... |
InsertBetweenAtomsAction | 694d88b9-e5ca-44e1-bf5f-94c911c06ec0 | mp-1222029 | Insert a Nb atom in the line between atoms at indices 9 and 0, and the inserted atom must be 0.72 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mn4Ga2Cu6
_chemical_formula_sum "Mn4 Ga2 Cu6"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mn4Ga2Cu6Nb
_chemical_formula_sum "Mn4 Ga2 Cu6 Nb1"
_cell_length_a 4.88674264
_cell_length_b 4.88674264
_cell_length_c 7.81681554
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998973
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f9b45c8c-a7a1-4f82-902a-fccd9c2a43f1 | mp-677509 | Insert a Cm atom in the line between atoms at indices 10 and 6, and the inserted atom must be 4.92 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K8N4O10
_chemical_formula_sum "K8 N4 O10"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_space_gr... | data_image0
_chemical_formula_structural K8N4O10Cm
_chemical_formula_sum "K8 N4 O10 Cm1"
_cell_length_a 5.48657112
_cell_length_b 5.48657112
_cell_length_c 14.30185623
_cell_angle_alpha 82.54538008999998
_cell_angle_beta 82.54538008999998
_cell_angle_gamma 92.74388174
_sp... |
InsertBetweenAtomsAction | 6dc67cab-faa3-43fc-9cb9-c0900fedd618 | mp-1006615 | Insert a Be atom in the line between atoms at indices 27 and 17, and the inserted atom must be 6.67 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4N24Cl20
_chemical_formula_sum "Cr4 Cu4 N24 Cl20"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_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 Cr4Cu4N24Cl20Be
_chemical_formula_sum "Cr4 Cu4 N24 Cl20 Be1"
_cell_length_a 10.13556
_cell_length_b 10.13556
_cell_length_c 10.13556
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 8ee1b3f8-960f-4b5d-be2d-2ea2986cd55c | mp-1224058 | Insert a Gd atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.42 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Ho6S2O2F10
_chemical_formula_sum "Ho6 S2 O2 F10"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho6S2O2F10Gd
_chemical_formula_sum "Ho6 S2 O2 F10 Gd1"
_cell_length_a 3.674433
_cell_length_b 9.372114
_cell_length_c 9.42408047
_cell_angle_alpha 60.43770842000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | df6f62f9-5a42-48a7-b2bd-98ddca31e238 | mp-1176656 | Insert a Rg atom in the line between atoms at indices 6 and 13, and the inserted atom must be 0.72 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4O8
_chemical_formula_sum "Li2 Mn4 O8"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
_spac... | data_image0
_chemical_formula_structural Li2Mn4O8Rg
_chemical_formula_sum "Li2 Mn4 O8 Rg1"
_cell_length_a 5.20771099
_cell_length_b 5.7609224999999995
_cell_length_c 5.91167837
_cell_angle_alpha 117.27694343
_cell_angle_beta 89.6299966
_cell_angle_gamma 106.47153499999999
... |
InsertBetweenAtomsAction | 7d7b3ae0-61b9-4ef2-9844-0cb9e3b8399c | mp-672679 | Insert a Fe atom in the line between atoms at indices 16 and 22, and the inserted atom must be 2.30 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Y16In4Ir4
_chemical_formula_sum "Y16 In4 Ir4"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995
_spa... | data_image0
_chemical_formula_structural Y16In4Ir4Fe
_chemical_formula_sum "Y16 In4 Ir4 Fe1"
_cell_length_a 9.68633742
_cell_length_b 9.68635535
_cell_length_c 9.68635539
_cell_angle_alpha 59.999905070000004
_cell_angle_beta 59.99984649
_cell_angle_gamma 59.999844679999995... |
InsertBetweenAtomsAction | 1129b43c-874b-4560-a43b-f243acc8ea6c | mp-29082 | Insert a Og atom in the line between atoms at indices 6 and 21, and the inserted atom must be 2.08 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ba10Cr2N10
_chemical_formula_sum "Ba10 Cr2 N10"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043599999... | data_image0
_chemical_formula_structural Ba10Cr2N10Og
_chemical_formula_sum "Ba10 Cr2 N10 Og1"
_cell_length_a 7.94728499
_cell_length_b 7.947287020000001
_cell_length_c 9.48464346
_cell_angle_alpha 76.21473882
_cell_angle_beta 76.21477560000001
_cell_angle_gamma 96.0779043... |
InsertBetweenAtomsAction | d733db6d-eb97-4143-b7d0-22a35199d54a | mp-28301 | Insert a At atom in the line between atoms at indices 25 and 13, and the inserted atom must be 2.83 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Os8Br32
_chemical_formula_sum "Os8 Br32"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_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 Os8Br32At
_chemical_formula_sum "Os8 Br32 At1"
_cell_length_a 6.38207203
_cell_length_b 12.59781404
_cell_length_c 14.89946369
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 2b91bbc8-dd31-4fa7-86e1-6575cb07942b | mp-1211356 | Insert a Xe atom in the line between atoms at indices 10 and 5, and the inserted atom must be 0.83 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural K4Tc4O8
_chemical_formula_sum "K4 Tc4 O8"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_group_n... | data_image0
_chemical_formula_structural K4Tc4O8Xe
_chemical_formula_sum "K4 Tc4 O8 Xe1"
_cell_length_a 7.73828448
_cell_length_b 7.73828448
_cell_length_c 7.73828448
_cell_angle_alpha 130.56512102
_cell_angle_beta 130.56512102
_cell_angle_gamma 72.50492760000002
_space_g... |
InsertBetweenAtomsAction | 9285abbf-04a7-4a97-abc0-7b50d3feab78 | mp-1048118 | Insert a Cf atom in the line between atoms at indices 23 and 13, and the inserted atom must be 2.31 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ba2Y2Ti8O14
_chemical_formula_sum "Ba2 Y2 Ti8 O14"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba2Y2Ti8O14Cf
_chemical_formula_sum "Ba2 Y2 Ti8 O14 Cf1"
_cell_length_a 6.38298461
_cell_length_b 6.38298461
_cell_length_c 10.696846
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000632
_space_group_name_H-M... |
InsertBetweenAtomsAction | af174c3a-277f-4ff6-a14f-dc6162c47a4c | mp-1223027 | Insert a Ba atom in the line between atoms at indices 0 and 8, and the inserted atom must be 5.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural LaB4Rh7
_chemical_formula_sum "La1 B4 Rh7"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural LaB4Rh7Ba
_chemical_formula_sum "La1 B4 Rh7 Ba1"
_cell_length_a 2.916881
_cell_length_b 5.61440357
_cell_length_c 9.67184657
_cell_angle_alpha 89.99999553000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | f3a93919-e6b1-4dbb-a983-888952f76488 | mp-1227552 | Insert a La atom in the line between atoms at indices 26 and 20, and the inserted atom must be 2.99 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Ca8Al4Fe4O20
_chemical_formula_sum "Ca8 Al4 Fe4 O20"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_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 Ca8Al4Fe4O20La
_chemical_formula_sum "Ca8 Al4 Fe4 O20 La1"
_cell_length_a 5.309852
_cell_length_b 5.447503
_cell_length_c 15.042727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 08e4ca1a-d2e1-40d8-a91b-848d1ded5bad | mp-779754 | Insert a C atom in the line between atoms at indices 41 and 34, and the inserted atom must be 0.78 angstrom from atom at 41 in the cif file. | data_image0
_chemical_formula_structural Na10Ni4As2C8O32
_chemical_formula_sum "Na10 Ni4 As2 C8 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.8... | data_image0
_chemical_formula_structural Na10Ni4As2C8O32C
_chemical_formula_sum "Na10 Ni4 As2 C9 O32"
_cell_length_a 9.95923284
_cell_length_b 9.952258090000003
_cell_length_c 9.93538448
_cell_angle_alpha 60.10249329000001
_cell_angle_beta 60.03277886
_cell_angle_gamma 59.... |
InsertBetweenAtomsAction | fba3e4bc-cbf0-4bda-a9b1-359c2d7de320 | mp-762633 | Insert a Hs atom in the line between atoms at indices 8 and 7, and the inserted atom must be 2.49 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural LiMn2NiO6
_chemical_formula_sum "Li1 Mn2 Ni1 O6"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_space_gr... | data_image0
_chemical_formula_structural LiMn2NiO6Hs
_chemical_formula_sum "Li1 Mn2 Ni1 O6 Hs1"
_cell_length_a 2.915938
_cell_length_b 5.89590065
_cell_length_c 6.55554331
_cell_angle_alpha 105.18597474
_cell_angle_beta 102.49291650999999
_cell_angle_gamma 88.49396978
_sp... |
InsertBetweenAtomsAction | fcda12a8-4357-47f5-a84d-0d43b2927875 | mp-1210214 | Insert a Na atom in the line between atoms at indices 21 and 5, and the inserted atom must be 6.04 angstrom from atom at 21 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 Na2Nb4Bi4O18Na
_chemical_formula_sum "Na3 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 ... |
InsertBetweenAtomsAction | 0dfd5743-f4e3-4209-b73b-d351b8cfa2ee | mp-1075693 | Insert a Sm atom in the line between atoms at indices 10 and 14, and the inserted atom must be 1.21 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mg10Si18
_chemical_formula_sum "Mg10 Si18"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999994
_... | data_image0
_chemical_formula_structural Mg10Si18Sm
_chemical_formula_sum "Mg10 Si18 Sm1"
_cell_length_a 7.606799
_cell_length_b 7.668632439999999
_cell_length_c 10.038510020000002
_cell_angle_alpha 72.88439338
_cell_angle_beta 80.29411301
_cell_angle_gamma 60.480024699999... |
InsertBetweenAtomsAction | 7a482cd8-11ee-4e20-af17-3214d6fb10ec | mp-1076053 | Insert a H atom in the line between atoms at indices 4 and 0, and the inserted atom must be 1.79 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La4Cu4O10
_chemical_formula_sum "La4 Cu4 O10"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.20585973000001... | data_image0
_chemical_formula_structural La4Cu4O10H
_chemical_formula_sum "La4 Cu4 O10 H1"
_cell_length_a 8.94342395
_cell_length_b 8.94342395
_cell_length_c 8.94342395
_cell_angle_alpha 145.06155881000004
_cell_angle_beta 143.78021110999998
_cell_angle_gamma 51.2058597300... |
InsertBetweenAtomsAction | 0a5b281e-9522-429d-9904-3fb8dd1a09cc | mp-1207806 | Insert a Sm atom in the line between atoms at indices 1 and 8, and the inserted atom must be 6.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Y8Al2
_chemical_formula_sum "Y8 Al2"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Y8Al2Sm
_chemical_formula_sum "Y8 Al2 Sm1"
_cell_length_a 7.91163534
_cell_length_b 7.91163534
_cell_length_c 7.911635339999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 54115dd1-6992-4fe3-9fbb-8c540cefd222 | mp-1220988 | Insert a Na atom in the line between atoms at indices 3 and 4, and the inserted atom must be 5.22 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Na2Tl6S4
_chemical_formula_sum "Na2 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Na2Tl6S4Na
_chemical_formula_sum "Na3 Tl6 S4"
_cell_length_a 4.293416
_cell_length_b 7.308508
_cell_length_c 12.37711
_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... |
InsertBetweenAtomsAction | 6461ac4f-2777-4b22-a91a-0222a0ab8698 | mp-1114234 | Insert a Nd atom in the line between atoms at indices 6 and 2, and the inserted atom must be 0.64 angstrom from atom at 6 in the cif file. | 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 Na2LiRhF6Nd
_chemical_formula_sum "Na2 Li1 Rh1 F6 Nd1"
_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 59.9999999... |
InsertBetweenAtomsAction | 1b80d8ea-839c-417b-97fb-cb4fd00a6e89 | mp-545404 | Insert a Li atom in the line between atoms at indices 11 and 4, and the inserted atom must be 12.33 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7Li
_chemical_formula_sum "Sr1 Gd2 Al2 O7 Li1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.8607771199999... |
InsertBetweenAtomsAction | 8afac4cd-0fd0-4c62-b3e3-860e61190661 | mp-38090 | Insert a Cn atom in the line between atoms at indices 24 and 38, and the inserted atom must be 8.01 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24Cn
_chemical_formula_sum "Fe12 Cu6 O24 Cn1"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.097150769999... |
InsertBetweenAtomsAction | 05ace375-e2ff-4171-9f4b-4436dcdf667a | mp-504962 | Insert a Cm atom in the line between atoms at indices 23 and 32, and the inserted atom must be 0.97 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K8Na12In4O16
_chemical_formula_sum "K8 Na12 In4 O16"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_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 K8Na12In4O16Cm
_chemical_formula_sum "K8 Na12 In4 O16 Cm1"
_cell_length_a 7.639542
_cell_length_b 9.381563
_cell_length_c 9.658423
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | a7019539-1448-4c91-b306-5297d0c65339 | mp-759254 | Insert a K atom in the line between atoms at indices 40 and 12, and the inserted atom must be 2.71 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural Li2Bi8P14O48
_chemical_formula_sum "Li2 Bi8 P14 O48"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.86187664... | data_image0
_chemical_formula_structural Li2Bi8P14O48K
_chemical_formula_sum "Li2 Bi8 P14 O48 K1"
_cell_length_a 11.00550326
_cell_length_b 11.136804660000001
_cell_length_c 11.62396838
_cell_angle_alpha 112.28091033
_cell_angle_beta 108.88945785
_cell_angle_gamma 104.8618... |
InsertBetweenAtomsAction | fe5fe884-82bd-4770-8285-460141eb0a38 | mp-1035395 | Insert a Mc atom in the line between atoms at indices 7 and 20, and the inserted atom must be 1.11 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg14VCuO16
_chemical_formula_sum "Mg14 V1 Cu1 O16"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_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 Mg14VCuO16Mc
_chemical_formula_sum "Mg14 V1 Cu1 O16 Mc1"
_cell_length_a 8.556818
_cell_length_b 8.61277
_cell_length_c 4.238951
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 841a28bd-a226-400c-be18-15d8551c19fb | mp-1181827 | Insert a Hs atom in the line between atoms at indices 19 and 23, and the inserted atom must be 1.99 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40Hs
_chemical_formula_sum "Er12 N4 F40 Hs1"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-... |
InsertBetweenAtomsAction | 91389081-03eb-4b19-8d5a-e93e98c9d72b | mp-1042551 | Insert a Co atom in the line between atoms at indices 4 and 8, and the inserted atom must be 1.94 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca2Ni4O8
_chemical_formula_sum "Ca2 Ni4 O8"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ca2Ni4O8Co
_chemical_formula_sum "Ca2 Ni4 O8 Co1"
_cell_length_a 3.07397165
_cell_length_b 7.89939956
_cell_length_c 6.7700861
_cell_angle_alpha 79.16450951
_cell_angle_beta 76.8589344
_cell_angle_gamma 78.7803237
_space_group_name... |
InsertBetweenAtomsAction | 6e71ba7a-4aa9-4c2c-abae-72fa4a3d56a9 | mp-1208988 | Insert a In atom in the line between atoms at indices 15 and 10, and the inserted atom must be 0.50 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Sm3Ni9Sn6
_chemical_formula_sum "Sm3 Ni9 Sn6"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sm3Ni9Sn6In
_chemical_formula_sum "Sm3 Ni9 Sn6 In1"
_cell_length_a 4.102391
_cell_length_b 9.58246961
_cell_length_c 9.58246961
_cell_angle_alpha 119.9999973
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 35c65945-aed2-4d84-99bf-11c6db295e5d | mp-510041 | Insert a Sn atom in the line between atoms at indices 7 and 12, and the inserted atom must be 2.11 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Hf8Ni8Sn4
_chemical_formula_sum "Hf8 Ni8 Sn4"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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 Hf8Ni8Sn5
_chemical_formula_sum "Hf8 Ni8 Sn5"
_cell_length_a 7.068831
_cell_length_b 7.068831
_cell_length_c 6.786952
_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... |
InsertBetweenAtomsAction | 221d168c-6b40-4ff5-9b5c-13bac0747ee2 | mp-1215346 | Insert a Cn atom in the line between atoms at indices 0 and 4, and the inserted atom must be 4.48 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Zr4Al4Cr4
_chemical_formula_sum "Zr4 Al4 Cr4"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Zr4Al4Cr4Cn
_chemical_formula_sum "Zr4 Al4 Cr4 Cn1"
_cell_length_a 5.14782924
_cell_length_b 5.14863872
_cell_length_c 8.603916
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 60.349997980000005
_space_group_name_H-M... |
InsertBetweenAtomsAction | d0b7eeb3-b6cf-4a93-8f04-03bfb049ddc2 | mp-20461 | Insert a Rb atom in the line between atoms at indices 2 and 1, and the inserted atom must be 2.64 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ba2Pb2O6
_chemical_formula_sum "Ba2 Pb2 O6"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
_space... | data_image0
_chemical_formula_structural Ba2Pb2O6Rb
_chemical_formula_sum "Ba2 Pb2 O6 Rb1"
_cell_length_a 6.15036645
_cell_length_b 6.15036645
_cell_length_c 6.13110795
_cell_angle_alpha 60.233741280000004
_cell_angle_beta 60.233741280000004
_cell_angle_gamma 89.75035477
... |
InsertBetweenAtomsAction | 80a19713-6ec2-44af-9197-ce92ecf88c72 | mp-1192939 | Insert a Hs atom in the line between atoms at indices 5 and 16, and the inserted atom must be 3.95 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sc6Co16Si7
_chemical_formula_sum "Sc6 Co16 Si7"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Co16Si7Hs
_chemical_formula_sum "Sc6 Co16 Si7 Hs1"
_cell_length_a 8.06826091
_cell_length_b 8.06826091
_cell_length_c 8.06826091
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | ee2e9eab-3fc7-46fe-8c7d-4408ccc3bfc0 | mp-756019 | Insert a Au atom in the line between atoms at indices 10 and 13, and the inserted atom must be 2.60 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li3Si2Ni2O8
_chemical_formula_sum "Li3 Si2 Ni2 O8"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_space_gro... | data_image0
_chemical_formula_structural Li3Si2Ni2O8Au
_chemical_formula_sum "Li3 Si2 Ni2 O8 Au1"
_cell_length_a 4.965421
_cell_length_b 5.34370819
_cell_length_c 6.415115120000001
_cell_angle_alpha 89.99352269
_cell_angle_beta 89.875702
_cell_angle_gamma 89.49667666
_spa... |
InsertBetweenAtomsAction | b8321551-e3ff-49f7-b201-ea44f0b52cc5 | mp-778114 | Insert a Cu atom in the line between atoms at indices 14 and 7, and the inserted atom must be 0.74 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Sm4Ge4O14
_chemical_formula_sum "Sm4 Ge4 O14"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Sm4Ge4O14Cu
_chemical_formula_sum "Sm4 Ge4 O14 Cu1"
_cell_length_a 7.19831875
_cell_length_b 7.19831875
_cell_length_c 7.19831875
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 5d700437-edbb-49b7-b4a3-dd8b046378b2 | mp-984755 | Insert a Sn atom in the line between atoms at indices 4 and 5, and the inserted atom must be 4.18 angstrom from atom at 4 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 Nb8Ag4O22Sn
_chemical_formula_sum "Nb8 Ag4 O22 Sn1"
_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 | 0becec61-589e-40f4-a897-db4cf43337e2 | mp-705004 | Insert a Pt atom in the line between atoms at indices 27 and 16, and the inserted atom must be 2.70 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li2Ni2P10O30
_chemical_formula_sum "Li2 Ni2 P10 O30"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li2Ni2P10O30Pt
_chemical_formula_sum "Li2 Ni2 P10 O30 Pt1"
_cell_length_a 9.493576
_cell_length_b 5.384713
_cell_length_c 13.221519480000001
_cell_angle_alpha 69.1915704
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 07970f8f-ad5e-40b0-8df0-a5a335ce8692 | mp-1022621 | Insert a Tm atom in the line between atoms at indices 6 and 0, and the inserted atom must be 2.93 angstrom from atom at 6 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 Mg12Zn2Cu2Tm
_chemical_formula_sum "Mg12 Zn2 Cu2 Tm1"
_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 | ae4bf8b9-b479-413d-8b2e-8b7edbfa5335 | mp-2218385 | Insert a Ru atom in the line between atoms at indices 3 and 6, and the inserted atom must be 1.96 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural MgMn4O4F4
_chemical_formula_sum "Mg1 Mn4 O4 F4"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_space_gro... | data_image0
_chemical_formula_structural MgMn4O4F4Ru
_chemical_formula_sum "Mg1 Mn4 O4 F4 Ru1"
_cell_length_a 5.23107775
_cell_length_b 6.15354861
_cell_length_c 5.17450402
_cell_angle_alpha 86.91425333000001
_cell_angle_beta 83.78431866
_cell_angle_gamma 80.50424442
_spa... |
InsertBetweenAtomsAction | a372db77-428b-497c-8fb6-f151f31eba7c | mp-1036452 | Insert a Ho atom in the line between atoms at indices 6 and 20, and the inserted atom must be 0.84 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mg14AlBiO16
_chemical_formula_sum "Mg14 Al1 Bi1 O16"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_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 Mg14AlBiO16Ho
_chemical_formula_sum "Mg14 Al1 Bi1 O16 Ho1"
_cell_length_a 8.795574
_cell_length_b 8.795574
_cell_length_c 4.378847
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | ccfaa288-a7f7-4477-a3d3-3280b7241d46 | mp-706913 | Insert a Pr atom in the line between atoms at indices 0 and 21, and the inserted atom must be 1.88 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Be2H16N4O20
_chemical_formula_sum "Be2 H16 N4 O20"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_group_n... | data_image0
_chemical_formula_structural Be2H16N4O20Pr
_chemical_formula_sum "Be2 H16 N4 O20 Pr1"
_cell_length_a 8.86449396
_cell_length_b 8.86449396
_cell_length_c 8.86449396
_cell_angle_alpha 97.2495202
_cell_angle_beta 97.2495202
_cell_angle_gamma 138.38451916
_space_g... |
InsertBetweenAtomsAction | 48dc282a-9462-41c6-88aa-2115d25fa8fa | mp-766284 | Insert a Te atom in the line between atoms at indices 64 and 56, and the inserted atom must be 3.06 angstrom from atom at 64 in the cif file. | data_image0
_chemical_formula_structural Sr16Ru12O48
_chemical_formula_sum "Sr16 Ru12 O48"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_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 Sr16Ru12O48Te
_chemical_formula_sum "Sr16 Ru12 O48 Te1"
_cell_length_a 5.576479
_cell_length_b 9.793504
_cell_length_c 18.332635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 0f0fad4c-d873-47d3-855d-a512b44bb50f | mp-1245691 | Insert a Si atom in the line between atoms at indices 20 and 46, and the inserted atom must be 1.10 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural V8Fe56N32
_chemical_formula_sum "V8 Fe56 N32"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural V8Fe56N32Si
_chemical_formula_sum "V8 Fe56 N32 Si1"
_cell_length_a 9.80419857
_cell_length_b 9.80419857
_cell_length_c 9.80419857
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | f50c81f6-b96a-4b4f-b38e-57074415b928 | mp-1073789 | Insert a Ir atom in the line between atoms at indices 7 and 10, and the inserted atom must be 3.11 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Mg6Si6
_chemical_formula_sum "Mg6 Si6"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
_spac... | data_image0
_chemical_formula_structural Mg6Si6Ir
_chemical_formula_sum "Mg6 Si6 Ir1"
_cell_length_a 6.13060281
_cell_length_b 6.130602809999999
_cell_length_c 11.06620499
_cell_angle_alpha 75.41640984999998
_cell_angle_beta 75.41640984999998
_cell_angle_gamma 35.48475235
... |
InsertBetweenAtomsAction | 9a862804-6421-46b7-ab7c-f889c5d3122a | mp-18561 | Insert a Au atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.71 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ga4As2Rh10
_chemical_formula_sum "Ga4 As2 Rh10"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ga4As2Rh10Au
_chemical_formula_sum "Ga4 As2 Rh10 Au1"
_cell_length_a 4.01954392
_cell_length_b 5.46160756
_cell_length_c 10.19616715
_cell_angle_alpha 89.98949256000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 18edccb4-225a-4228-88fe-67ba43b5b9a7 | mp-703276 | Insert a In atom in the line between atoms at indices 44 and 75, and the inserted atom must be 6.53 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 89.6156... | data_image0
_chemical_formula_structural Ca5Al11TlSi13O48In
_chemical_formula_sum "Ca5 Al11 Tl1 Si13 O48 In1"
_cell_length_a 12.320894
_cell_length_b 12.39592088
_cell_length_c 12.54557697
_cell_angle_alpha 89.49723168000001
_cell_angle_beta 89.72696025
_cell_angle_gamma 8... |
InsertBetweenAtomsAction | 59ecd7fd-1078-46a3-9b64-4c11b5807311 | mp-756652 | Insert a Eu atom in the line between atoms at indices 10 and 0, and the inserted atom must be 4.05 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Co4P4O16
_chemical_formula_sum "Co4 P4 O16"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_space_gr... | data_image0
_chemical_formula_structural Co4P4O16Eu
_chemical_formula_sum "Co4 P4 O16 Eu1"
_cell_length_a 5.737084
_cell_length_b 6.430618590000001
_cell_length_c 9.25838764
_cell_angle_alpha 73.74975102000002
_cell_angle_beta 79.01976126
_cell_angle_gamma 79.62203687
_sp... |
InsertBetweenAtomsAction | 8e9f57eb-fe4c-4640-bcb5-c91e66d3d3bb | mp-758643 | Insert a Ru atom in the line between atoms at indices 11 and 1, and the inserted atom must be 7.57 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural V4C8O24
_chemical_formula_sum "V4 C8 O24"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural V4C8O24Ru
_chemical_formula_sum "V4 C8 O24 Ru1"
_cell_length_a 7.134126
_cell_length_b 7.605943
_cell_length_c 9.237958
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 35f48371-63b7-43b2-8eb9-20d72e83331a | mp-1521558 | Insert a Lv atom in the line between atoms at indices 7 and 9, and the inserted atom must be 0.39 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural BaCaCeHfO6
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9999999... | data_image0
_chemical_formula_structural BaCaCeHfO6Lv
_chemical_formula_sum "Ba1 Ca1 Ce1 Hf1 O6 Lv1"
_cell_length_a 6.07907498
_cell_length_b 6.07907498
_cell_length_c 6.07907498
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.9... |
InsertBetweenAtomsAction | 3334a2ee-7fee-4513-b918-8a576be78c4c | mp-772524 | Insert a Pt atom in the line between atoms at indices 20 and 22, and the inserted atom must be 1.51 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Li2Ti4P6O24
_chemical_formula_sum "Li2 Ti4 P6 O24"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789713700... | data_image0
_chemical_formula_structural Li2Ti4P6O24Pt
_chemical_formula_sum "Li2 Ti4 P6 O24 Pt1"
_cell_length_a 8.330953
_cell_length_b 8.38168201
_cell_length_c 8.999558419999998
_cell_angle_alpha 90.22714122
_cell_angle_beta 117.54130975000001
_cell_angle_gamma 119.4789... |
InsertBetweenAtomsAction | 17912919-50f4-4abb-aff5-3a803ba8d41a | mp-755871 | Insert a Db atom in the line between atoms at indices 6 and 17, and the inserted atom must be 2.05 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural V6O7F5
_chemical_formula_sum "V6 O7 F5"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural V6O7F5Db
_chemical_formula_sum "V6 O7 F5 Db1"
_cell_length_a 5.614968
_cell_length_b 5.62936007
_cell_length_c 7.39209879
_cell_angle_alpha 71.90979678
_cell_angle_beta 72.51004462
_cell_angle_gamma 71.80766807
_space_group_name_H-... |
InsertBetweenAtomsAction | cffd8b1a-865a-4008-b015-2a6047bbfa37 | mp-1199756 | Insert a Ti atom in the line between atoms at indices 34 and 32, and the inserted atom must be 2.48 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Co4N28O32
_chemical_formula_sum "Co4 N28 O32"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_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 Co4N28O32Ti
_chemical_formula_sum "Co4 N28 O32 Ti1"
_cell_length_a 6.134346
_cell_length_b 10.837765
_cell_length_c 16.253865
_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 | a0ffcdff-a5a7-459e-a042-ee6e590e2eb7 | mp-1039932 | Insert a Hg atom in the line between atoms at indices 40 and 46, and the inserted atom must be 1.13 angstrom from atom at 40 in the cif file. | data_image0
_chemical_formula_structural NaLaMg30O32
_chemical_formula_sum "Na1 La1 Mg30 O32"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_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 NaLaMg30O32Hg
_chemical_formula_sum "Na1 La1 Mg30 O32 Hg1"
_cell_length_a 8.63751
_cell_length_b 8.63751
_cell_length_c 8.633607
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 645ad7c3-f7e9-41d5-97b2-f9786a03dccb | mp-1217947 | Insert a Hf atom in the line between atoms at indices 4 and 14, and the inserted atom must be 3.02 angstrom from atom at 4 in the cif file. | 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 Ta4Nb4Ag8O24Hf
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 Hf1"
_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... |
InsertBetweenAtomsAction | ac0d0b51-f171-4c8a-9fcb-f29916d52458 | mp-1518357 | Insert a Fm atom in the line between atoms at indices 7 and 8, and the inserted atom must be 2.55 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Eu2HfNbO6
_chemical_formula_sum "Eu2 Hf1 Nb1 O6"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_space_gro... | data_image0
_chemical_formula_structural Eu2HfNbO6Fm
_chemical_formula_sum "Eu2 Hf1 Nb1 O6 Fm1"
_cell_length_a 5.7699676
_cell_length_b 5.76996713
_cell_length_c 5.76996979
_cell_angle_alpha 59.99999019
_cell_angle_beta 59.99998203999999
_cell_angle_gamma 60.00002777
_spa... |
InsertBetweenAtomsAction | 1cc857e6-adab-4815-b04a-e606569157ec | mp-1198401 | Insert a B atom in the line between atoms at indices 29 and 36, and the inserted atom must be 3.47 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Th4N12F28
_chemical_formula_sum "Th4 N12 F28"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_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 Th4N12F28B
_chemical_formula_sum "Th4 N12 F28 B1"
_cell_length_a 6.756986
_cell_length_b 7.83859
_cell_length_c 14.488789
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 77e9a218-a70f-4103-8a5d-f9e5f5cda332 | mp-555271 | Insert a Sn atom in the line between atoms at indices 12 and 9, and the inserted atom must be 3.46 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14
_chemical_formula_sum "Ba4 Zn4 Cl2 F14"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ba4Zn4Cl2F14Sn
_chemical_formula_sum "Ba4 Zn4 Cl2 F14 Sn1"
_cell_length_a 5.89018
_cell_length_b 7.831345
_cell_length_c 9.0590304
_cell_angle_alpha 73.1898838
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 7f81ddd7-f6a5-4c07-99fa-2a11b81562bd | mp-1191974 | Insert a Tl atom in the line between atoms at indices 23 and 2, and the inserted atom must be 2.98 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ca2Ge2P4O16
_chemical_formula_sum "Ca2 Ge2 P4 O16"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_group_... | data_image0
_chemical_formula_structural Ca2Ge2P4O16Tl
_chemical_formula_sum "Ca2 Ge2 P4 O16 Tl1"
_cell_length_a 8.37962501
_cell_length_b 8.37962501
_cell_length_c 7.84020248
_cell_angle_alpha 64.56117764
_cell_angle_beta 64.56117764
_cell_angle_gamma 35.94561599
_space_... |
InsertBetweenAtomsAction | 3296efae-ca05-454e-94ae-1b8d9fd00687 | mp-755971 | Insert a Md atom in the line between atoms at indices 4 and 13, and the inserted atom must be 1.60 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Li2Mn3TeO8
_chemical_formula_sum "Li2 Mn3 Te1 O8"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_space_g... | data_image0
_chemical_formula_structural Li2Mn3TeO8Md
_chemical_formula_sum "Li2 Mn3 Te1 O8 Md1"
_cell_length_a 6.23943989
_cell_length_b 6.24039368
_cell_length_c 6.23967462
_cell_angle_alpha 58.58024214
_cell_angle_beta 58.56465626999998
_cell_angle_gamma 58.57663508
_s... |
InsertBetweenAtomsAction | bbe760c7-685e-4f31-a630-4d668adc004e | mp-2226963 | Insert a Bk atom in the line between atoms at indices 10 and 14, and the inserted atom must be 0.67 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Rb3NaMgW2O8
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_space_gr... | data_image0
_chemical_formula_structural Rb3NaMgW2O8Bk
_chemical_formula_sum "Rb3 Na1 Mg1 W2 O8 Bk1"
_cell_length_a 7.19381107
_cell_length_b 6.25282433
_cell_length_c 8.07769411
_cell_angle_alpha 90.00000249
_cell_angle_beta 98.59995789
_cell_angle_gamma 115.75966145
_sp... |
InsertBetweenAtomsAction | b047c21d-7365-4678-8fac-93c50e063006 | mp-1206898 | Insert a F atom in the line between atoms at indices 6 and 2, and the inserted atom must be 2.28 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Y4In2Ge4
_chemical_formula_sum "Y4 In2 Ge4"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural Y4In2Ge4F
_chemical_formula_sum "Y4 In2 Ge4 F1"
_cell_length_a 4.164073
_cell_length_b 7.434116
_cell_length_c 7.434116
_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... |
InsertBetweenAtomsAction | d3d225e9-a9a0-4416-93ee-b741fbffa5b2 | mp-752535 | Insert a O atom in the line between atoms at indices 2 and 19, and the inserted atom must be 1.59 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ta2In6O14
_chemical_formula_sum "Ta2 In6 O14"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Ta2In6O15
_chemical_formula_sum "Ta2 In6 O15"
_cell_length_a 6.43051677
_cell_length_b 6.43051677
_cell_length_c 7.316525
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 108.47602686
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | f73a2d72-5d0f-43b1-acfa-237dd468c409 | mp-1200969 | Insert a Sn atom in the line between atoms at indices 20 and 25, and the inserted atom must be 5.82 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural B12Pb12N4O40
_chemical_formula_sum "B12 Pb12 N4 O40"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_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 B12Pb12N4O40Sn
_chemical_formula_sum "B12 Pb12 N4 O40 Sn1"
_cell_length_a 8.00912257
_cell_length_b 10.36721178
_cell_length_c 11.09580079
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 4b1a777b-0a95-4314-9b85-14eac9e4eac7 | mp-557123 | Insert a Ag atom in the line between atoms at indices 1 and 36, and the inserted atom must be 2.71 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32Ag
_chemical_formula_sum "Na8 Cu4 Si12 O32 Ag1"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | 76df97c8-4175-4b02-93a5-dcbea2b35ddf | mp-1209411 | Insert a N atom in the line between atoms at indices 20 and 5, and the inserted atom must be 5.59 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Pr8Si12Pd4
_chemical_formula_sum "Pr8 Si12 Pd4"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Pr8Si12Pd4N
_chemical_formula_sum "Pr8 Si12 Pd4 N1"
_cell_length_a 8.28889643
_cell_length_b 8.28889643
_cell_length_c 8.60635
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000341999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | fbe178f6-5f3c-4ed0-9450-1c3357895b9d | mp-2230889 | Insert a Mg atom in the line between atoms at indices 5 and 13, and the inserted atom must be 1.10 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12Mg
_chemical_formula_sum "Mg2 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_spac... |
InsertBetweenAtomsAction | 7ad50bc7-4aac-4878-9847-1e1f0cdf4ca1 | mp-1175318 | Insert a Pb atom in the line between atoms at indices 37 and 14, and the inserted atom must be 1.40 angstrom from atom at 37 in the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.9583734
_sp... | data_image0
_chemical_formula_structural Li14Mn10O24Pb
_chemical_formula_sum "Li14 Mn10 O24 Pb1"
_cell_length_a 5.9418197
_cell_length_b 7.695115400000001
_cell_length_c 9.96267288
_cell_angle_alpha 78.87524298
_cell_angle_beta 93.43958204999998
_cell_angle_gamma 81.958373... |
InsertBetweenAtomsAction | daecd741-eced-4127-a1c3-3d80d4e0b868 | mp-1017159 | Insert a Ho atom in the line between atoms at indices 15 and 14, and the inserted atom must be 6.14 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg12C2
_chemical_formula_sum "Rb2 Mg12 C2"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg12C2Ho
_chemical_formula_sum "Rb2 Mg12 C2 Ho1"
_cell_length_a 3.283259
_cell_length_b 8.311256
_cell_length_c 14.580709
_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 | 795689d5-40df-4295-b7cf-278687bd9db8 | mp-1198084 | Insert a I atom in the line between atoms at indices 11 and 7, and the inserted atom must be 4.37 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ca6S6O27
_chemical_formula_sum "Ca6 S6 O27"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.565304559... | data_image0
_chemical_formula_structural Ca6S6O27I
_chemical_formula_sum "Ca6 S6 O27 I1"
_cell_length_a 9.50385728
_cell_length_b 9.503857279999998
_cell_length_c 12.20051516
_cell_angle_alpha 50.136694089999985
_cell_angle_beta 50.13669408999999
_cell_angle_gamma 43.56530... |
InsertBetweenAtomsAction | 8a1ef5ef-77f4-47cf-9862-f9c27aee6702 | mp-1028157 | Insert a Ce atom in the line between atoms at indices 13 and 7, and the inserted atom must be 1.13 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Mg14MnCu
_chemical_formula_sum "Mg14 Mn1 Cu1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Mg14MnCuCe
_chemical_formula_sum "Mg14 Mn1 Cu1 Ce1"
_cell_length_a 6.25919308
_cell_length_b 6.25859688
_cell_length_c 9.91951243
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99685426
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 9e4fcf29-8fce-45a0-ac4b-96c068eaaa88 | mp-541221 | Insert a Pa atom in the line between atoms at indices 54 and 50, and the inserted atom must be 5.04 angstrom from atom at 54 in the cif file. | data_image0
_chemical_formula_structural Ba6H12N12O30
_chemical_formula_sum "Ba6 H12 N12 O30"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_group_... | data_image0
_chemical_formula_structural Ba6H12N12O30Pa
_chemical_formula_sum "Ba6 H12 N12 O30 Pa1"
_cell_length_a 7.175709
_cell_length_b 7.1757089999999994
_cell_length_c 18.225683
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999081999998
_space_... |
InsertBetweenAtomsAction | cf90d40f-2570-4227-a974-51c1ce2d6c4f | mp-769628 | Insert a Ti atom in the line between atoms at indices 5 and 17, and the inserted atom must be 3.20 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li8V6Cr2O16
_chemical_formula_sum "Li8 V6 Cr2 O16"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma 73.14... | data_image0
_chemical_formula_structural Li8V6Cr2O16Ti
_chemical_formula_sum "Li8 V6 Cr2 O16 Ti1"
_cell_length_a 5.17703722
_cell_length_b 5.98331107
_cell_length_c 10.782648249999998
_cell_angle_alpha 106.02238287000002
_cell_angle_beta 85.40813636999998
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 0252eea9-ebda-4170-802d-61445a7c650f | mp-697575 | Insert a La atom in the line between atoms at indices 2 and 8, and the inserted atom must be 3.14 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb8Zn4H16
_chemical_formula_sum "Rb8 Zn4 H16"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Rb8Zn4H16La
_chemical_formula_sum "Rb8 Zn4 H16 La1"
_cell_length_a 6.00913377
_cell_length_b 8.13409839
_cell_length_c 10.5742028
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | a60f48a6-ee0a-4ec0-9d44-059b9de73962 | mp-1042619 | Insert a Cd atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural MgCu3Sn4O12
_chemical_formula_sum "Mg1 Cu3 Sn4 O12"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... | data_image0
_chemical_formula_structural MgCu3Sn4O12Cd
_chemical_formula_sum "Mg1 Cu3 Sn4 O12 Cd1"
_cell_length_a 6.68046281
_cell_length_b 6.68046281
_cell_length_c 6.68046281
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_sp... |
InsertBetweenAtomsAction | 0cfca121-4c96-4aad-a112-d44fb52c4bf6 | mp-753904 | Insert a Co atom in the line between atoms at indices 10 and 12, and the inserted atom must be 2.49 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn7O7F
_chemical_formula_sum "Mn7 O7 F1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Mn7O7FCo
_chemical_formula_sum "Mn7 O7 F1 Co1"
_cell_length_a 3.53626224
_cell_length_b 3.53626224
_cell_length_c 19.569485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000443
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 127e2839-2303-4a69-9fba-5c8bcc83e860 | mp-721707 | Insert a Nh atom in the line between atoms at indices 60 and 21, and the inserted atom must be 1.48 angstrom from atom at 60 in the cif file. | data_image0
_chemical_formula_structural H24C12N16O12
_chemical_formula_sum "H24 C12 N16 O12"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86229741... | data_image0
_chemical_formula_structural H24C12N16O12Nh
_chemical_formula_sum "H24 C12 N16 O12 Nh1"
_cell_length_a 5.01246734
_cell_length_b 5.01246734
_cell_length_c 21.40530778
_cell_angle_alpha 86.98275341999998
_cell_angle_beta 86.98275341999998
_cell_angle_gamma 89.86... |
InsertBetweenAtomsAction | 11baed42-63d7-4d4c-8dcf-e7132e64a1a8 | mp-756068 | Insert a Rf atom in the line between atoms at indices 1 and 9, and the inserted atom must be 3.29 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4V4O4F12
_chemical_formula_sum "Li4 V4 O4 F12"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_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 Li4V4O4F12Rf
_chemical_formula_sum "Li4 V4 O4 F12 Rf1"
_cell_length_a 5.144357
_cell_length_b 6.033028
_cell_length_c 9.903223
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 8f1f5141-24d0-4ad0-96a3-70cb0d581b51 | mp-1246932 | Insert a Rf atom in the line between atoms at indices 19 and 43, and the inserted atom must be 4.72 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_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 Ba28Hf4N24Rf
_chemical_formula_sum "Ba28 Hf4 N24 Rf1"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 7b805cd8-7fb1-433d-b1aa-8ef360bf35c4 | mp-736701 | Insert a At atom in the line between atoms at indices 34 and 9, and the inserted atom must be 8.29 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural P16Pt4I4O40
_chemical_formula_sum "P16 Pt4 I4 O40"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural P16Pt4I4O40At
_chemical_formula_sum "P16 Pt4 I4 O40 At1"
_cell_length_a 22.055377
_cell_length_b 11.048324
_cell_length_c 16.91252637
_cell_angle_alpha 60.475079529999995
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
InsertBetweenAtomsAction | fa3649a5-ee52-4188-a4c7-e20b86f511dd | mp-2228606 | Insert a Es atom in the line between atoms at indices 0 and 5, and the inserted atom must be 3.08 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ba2LaMgCu3O7
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_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 Ba2LaMgCu3O7Es
_chemical_formula_sum "Ba2 La1 Mg1 Cu3 O7 Es1"
_cell_length_a 3.79504055
_cell_length_b 4.00857842
_cell_length_c 14.63409685
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 3e2deac5-4626-4506-91c5-ec2d0c85a8ff | mp-608551 | Insert a Sr atom in the line between atoms at indices 2 and 14, and the inserted atom must be 2.74 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ti2Al4Br16
_chemical_formula_sum "Ti2 Al4 Br16"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_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 Ti2Al4Br16Sr
_chemical_formula_sum "Ti2 Al4 Br16 Sr1"
_cell_length_a 6.402735
_cell_length_b 10.46939
_cell_length_c 13.512877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | b963dfd1-f3d1-4bdc-89fb-467d18e2d87c | mp-1246724 | Insert a Ho atom in the line between atoms at indices 4 and 20, and the inserted atom must be 1.77 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural K12W2N8
_chemical_formula_sum "K12 W2 N8"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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 K12W2N8Ho
_chemical_formula_sum "K12 W2 N8 Ho1"
_cell_length_a 8.235276
_cell_length_b 8.235276
_cell_length_c 6.767872
_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... |
InsertBetweenAtomsAction | a39c5b17-4ca0-4df5-836e-563316bbf495 | mp-1207481 | Insert a Tc atom in the line between atoms at indices 15 and 7, and the inserted atom must be 5.23 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_name_H-M... | data_image0
_chemical_formula_structural Zn3SbAs2Pb3O14Tc
_chemical_formula_sum "Zn3 Sb1 As2 Pb3 O14 Tc1"
_cell_length_a 8.67683789
_cell_length_b 8.67683789
_cell_length_c 5.38009
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999912
_space_group_na... |
InsertBetweenAtomsAction | 5f735794-a708-4607-a472-4ce0564ef558 | mp-554704 | Insert a Kr atom in the line between atoms at indices 24 and 10, and the inserted atom must be 2.19 angstrom from atom at 24 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 Ti4P4H4O20Kr
_chemical_formula_sum "Ti4 P4 H4 O20 Kr1"
_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 | 249a7570-d1a7-4384-ba4f-aacc7e74d18c | mp-774789 | Insert a Er atom in the line between atoms at indices 25 and 0, and the inserted atom must be 1.53 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74.97335... | data_image0
_chemical_formula_structural Li8Ti4Co6Sb6O32Er
_chemical_formula_sum "Li8 Ti4 Co6 Sb6 O32 Er1"
_cell_length_a 6.16117543
_cell_length_b 11.44884562
_cell_length_c 10.63779233
_cell_angle_alpha 117.31285160999998
_cell_angle_beta 90.30429701
_cell_angle_gamma 74... |
InsertBetweenAtomsAction | 908aa8e0-14de-4ad6-a73f-3f6239653f3c | mp-1223525 | Insert a Sg atom in the line between atoms at indices 7 and 1, and the inserted atom must be 4.42 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural KLa7Cu4O16
_chemical_formula_sum "K1 La7 Cu4 O16"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5713970... | data_image0
_chemical_formula_structural KLa7Cu4O16Sg
_chemical_formula_sum "K1 La7 Cu4 O16 Sg1"
_cell_length_a 13.65327428
_cell_length_b 13.65327428
_cell_length_c 13.65327428
_cell_angle_alpha 157.12581394000003
_cell_angle_beta 157.12581394000003
_cell_angle_gamma 32.5... |
InsertBetweenAtomsAction | b67dd5d4-2119-473c-b88f-d05456937f09 | mp-1211239 | Insert a F atom in the line between atoms at indices 47 and 37, and the inserted atom must be 1.42 angstrom from atom at 47 in the cif file. | 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 Nd4S6O40F
_chemical_formula_sum "Nd4 S6 O40 F1"
_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_gr... |
InsertBetweenAtomsAction | b4fc98a1-06cf-488e-a2b2-1697c618b635 | mp-995217 | Insert a Pa atom in the line between atoms at indices 16 and 15, and the inserted atom must be 1.20 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural H8C12
_chemical_formula_sum "H8 C12"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural H8C12Pa
_chemical_formula_sum "H8 C12 Pa1"
_cell_length_a 7.1561848
_cell_length_b 7.1561848
_cell_length_c 3.84354944
_cell_angle_alpha 82.92134499
_cell_angle_beta 82.92134499
_cell_angle_gamma 106.46795645999998
_space_group_nam... |
InsertBetweenAtomsAction | 9743b11c-ab04-47ac-a61e-263fe5ec7f7c | mp-24123 | Insert a Am atom in the line between atoms at indices 2 and 9, and the inserted atom must be 1.76 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Rb2B12H12
_chemical_formula_sum "Rb2 B12 H12"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2B12H12Am
_chemical_formula_sum "Rb2 B12 H12 Am1"
_cell_length_a 7.69311963
_cell_length_b 7.69311963
_cell_length_c 7.69311963
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | 988cf561-6348-4368-8a30-11014f3ffbe4 | mp-849460 | Insert a Zr atom in the line between atoms at indices 22 and 20, and the inserted atom must be 0.59 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Mn8O4F12
_chemical_formula_sum "Mn8 O4 F12"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Mn8O4F12Zr
_chemical_formula_sum "Mn8 O4 F12 Zr1"
_cell_length_a 4.769088
_cell_length_b 5.7096
_cell_length_c 11.04172549
_cell_angle_alpha 82.82142872999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
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