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 | 62186528-94ee-455d-8c79-d022bfa4a26f | mp-2230007 | Insert a B atom in the line between atoms at indices 16 and 13, and the inserted atom must be 0.44 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_group_... | data_image0
_chemical_formula_structural Cs4MgTi2Ag4S8B
_chemical_formula_sum "Cs4 Mg1 Ti2 Ag4 S8 B1"
_cell_length_a 6.33906844
_cell_length_b 6.339068440000001
_cell_length_c 13.70134139
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 84.22111217
_space_gr... |
InsertBetweenAtomsAction | 4a81bca5-ef1c-41e2-babf-4cbb01922eed | mp-1228248 | Insert a Ag atom in the line between atoms at indices 3 and 29, and the inserted atom must be 1.96 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ba4NdYCu8O16
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_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 Ba4NdYCu8O16Ag
_chemical_formula_sum "Ba4 Nd1 Y1 Cu8 O16 Ag1"
_cell_length_a 3.922374
_cell_length_b 3.926894
_cell_length_c 27.543314
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b315f2cd-fadb-4eef-831e-b28a73dbbd00 | mp-676599 | Insert a Sb atom in the line between atoms at indices 9 and 3, and the inserted atom must be 3.59 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Cu8NO11
_chemical_formula_sum "Cu8 N1 O11"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.77346674999999
_s... | data_image0
_chemical_formula_structural Cu8NO11Sb
_chemical_formula_sum "Cu8 N1 O11 Sb1"
_cell_length_a 6.94565887
_cell_length_b 6.817023109999999
_cell_length_c 6.544039990000001
_cell_angle_alpha 62.60415246
_cell_angle_beta 60.6223808
_cell_angle_gamma 56.773466749999... |
InsertBetweenAtomsAction | 6e4ca15e-0161-46d9-9d03-445a7703be43 | mp-1202750 | Insert a La atom in the line between atoms at indices 31 and 14, and the inserted atom must be 0.88 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19La
_chemical_formula_sum "Nd5 P12 Ru19 La1"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name... |
InsertBetweenAtomsAction | 08f86a30-ec47-4bab-b706-85a473a4fc24 | mp-1048365 | Insert a W atom in the line between atoms at indices 7 and 2, and the inserted atom must be 2.08 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Y2Cu3O6
_chemical_formula_sum "Y2 Cu3 O6"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_space_gr... | data_image0
_chemical_formula_structural Y2Cu3O6W
_chemical_formula_sum "Y2 Cu3 O6 W1"
_cell_length_a 18.52778685
_cell_length_b 6.30067658
_cell_length_c 6.30067686
_cell_angle_alpha 32.74254941000001
_cell_angle_beta 31.96551137
_cell_angle_gamma 31.96550588999998
_spac... |
InsertBetweenAtomsAction | b4ea4bc0-176e-4197-be22-404166dfadf1 | mp-775212 | Insert a Tm atom in the line between atoms at indices 10 and 4, and the inserted atom must be 0.70 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Mn2V4P6O24
_chemical_formula_sum "Mn2 V4 P6 O24"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000005
_... | data_image0
_chemical_formula_structural Mn2V4P6O24Tm
_chemical_formula_sum "Mn2 V4 P6 O24 Tm1"
_cell_length_a 8.63937039
_cell_length_b 8.639370389999998
_cell_length_c 8.63937038
_cell_angle_alpha 59.98629868
_cell_angle_beta 59.98629868
_cell_angle_gamma 59.986289840000... |
InsertBetweenAtomsAction | 32895111-dbb1-4ed2-82fb-4f9eed4b9f07 | mp-1245687 | Insert a Sn atom in the line between atoms at indices 21 and 31, and the inserted atom must be 3.76 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Ta16Te12N8
_chemical_formula_sum "Ta16 Te12 N8"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_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 Ta16Te12N8Sn
_chemical_formula_sum "Ta16 Te12 N8 Sn1"
_cell_length_a 5.530197
_cell_length_b 10.747467
_cell_length_c 15.00584
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | 166e7fe8-923f-4cf4-9134-72802a12d1fd | mp-556409 | Insert a Es atom in the line between atoms at indices 31 and 14, and the inserted atom must be 4.60 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20
_chemical_formula_sum "Ba7 Ca2 Mn5 O20"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 19.1467... | data_image0
_chemical_formula_structural Ba7Ca2Mn5O20Es
_chemical_formula_sum "Ba7 Ca2 Mn5 O20 Es1"
_cell_length_a 17.75532635
_cell_length_b 17.75532635
_cell_length_c 17.75532621
_cell_angle_alpha 19.146729829999988
_cell_angle_beta 19.146729830000023
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | 1876a6e3-565e-43ee-9487-448306cc8a20 | mp-1221261 | Insert a Cl atom in the line between atoms at indices 16 and 24, and the inserted atom must be 2.11 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Na3CaSc3ZnSi8O24Cl
_chemical_formula_sum "Na3 Ca1 Sc3 Zn1 Si8 O24 Cl1"
_cell_length_a 9.127381
_cell_length_b 5.376768
_cell_length_c 9.8600124
_cell_angle_alpha 75.33170251
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
InsertBetweenAtomsAction | 9f01f7dc-a3a5-4873-a7ab-14025e8aba44 | mp-15203 | Insert a Au atom in the line between atoms at indices 42 and 14, and the inserted atom must be 1.74 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Li12Ca24W8N32O6
_chemical_formula_sum "Li12 Ca24 W8 N32 O6"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angle_gamm... | data_image0
_chemical_formula_structural Li12Ca24W8N32O6Au
_chemical_formula_sum "Li12 Ca24 W8 N32 O6 Au1"
_cell_length_a 11.40762068
_cell_length_b 11.407620390000002
_cell_length_c 11.407621
_cell_angle_alpha 109.47121994000001
_cell_angle_beta 109.47121942999999
_cell_angl... |
InsertBetweenAtomsAction | 8d29e65e-7478-4f19-90d1-65e09eacfec7 | mp-1205925 | Insert a Pa atom in the line between atoms at indices 8 and 1, and the inserted atom must be 2.01 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Sm4In2Au4
_chemical_formula_sum "Sm4 In2 Au4"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sm4In2Au4Pa
_chemical_formula_sum "Sm4 In2 Au4 Pa1"
_cell_length_a 8.02911356
_cell_length_b 8.02911356
_cell_length_c 3.80318969
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 0bd9d7cc-b7f8-49ee-9deb-522b3d3f8b10 | mp-27653 | Insert a Y atom in the line between atoms at indices 14 and 6, and the inserted atom must be 0.30 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li4Al4H16
_chemical_formula_sum "Li4 Al4 H16"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Li4Al4H16Y
_chemical_formula_sum "Li4 Al4 H16 Y1"
_cell_length_a 7.8247
_cell_length_b 4.861909
_cell_length_c 7.87004681
_cell_angle_alpha 68.19494442
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 3da245e0-a1cb-4512-8dec-d6231384d540 | mp-557634 | Insert a In atom in the line between atoms at indices 7 and 24, and the inserted atom must be 6.37 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Na2V6P6O24
_chemical_formula_sum "Na2 V6 P6 O24"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_group_... | data_image0
_chemical_formula_structural Na2V6P6O24In
_chemical_formula_sum "Na2 V6 P6 O24 In1"
_cell_length_a 9.16078611
_cell_length_b 9.16078611
_cell_length_c 9.16078611
_cell_angle_alpha 137.98311874
_cell_angle_beta 108.69638476
_cell_angle_gamma 86.35921864
_space_... |
InsertBetweenAtomsAction | 54589875-b7c9-4587-a46b-0639e06ec190 | mp-556517 | Insert a Li atom in the line between atoms at indices 18 and 11, and the inserted atom must be 4.98 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural K8Pb4O8
_chemical_formula_sum "K8 Pb4 O8"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_group_nam... | data_image0
_chemical_formula_structural K8Pb4O8Li
_chemical_formula_sum "K8 Pb4 O8 Li1"
_cell_length_a 7.32732357
_cell_length_b 7.51094697
_cell_length_c 9.97597018
_cell_angle_alpha 84.71945142
_cell_angle_beta 69.92506192
_cell_angle_gamma 61.17031928000001
_space_gro... |
InsertBetweenAtomsAction | 78d6cd1f-6743-4c7d-9a51-4c4b194f97e1 | mp-1239078 | Insert a Lv atom in the line between atoms at indices 14 and 23, and the inserted atom must be 3.80 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Ho8Bi16C8
_chemical_formula_sum "Ho8 Bi16 C8"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... | data_image0
_chemical_formula_structural Ho8Bi16C8Lv
_chemical_formula_sum "Ho8 Bi16 C8 Lv1"
_cell_length_a 10.729442
_cell_length_b 10.729442
_cell_length_c 7.145487
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
InsertBetweenAtomsAction | 74fc36f4-d9fd-49ac-9111-00bb0658ac74 | mp-1105068 | Insert a Th atom in the line between atoms at indices 2 and 5, and the inserted atom must be 6.08 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural BaYFe4O7
_chemical_formula_sum "Ba1 Y1 Fe4 O7"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_space_g... | data_image0
_chemical_formula_structural BaYFe4O7Th
_chemical_formula_sum "Ba1 Y1 Fe4 O7 Th1"
_cell_length_a 6.47491245
_cell_length_b 6.47491245
_cell_length_c 6.474912450000001
_cell_angle_alpha 121.45587253
_cell_angle_beta 121.45587253
_cell_angle_gamma 87.49632515
_s... |
InsertBetweenAtomsAction | 1e3e6921-7781-4a60-8d23-855a54541011 | mp-857354 | Insert a Th atom in the line between atoms at indices 9 and 28, and the inserted atom must be 0.27 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural LiSn3SbP6O24
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447260000... | data_image0
_chemical_formula_structural LiSn3SbP6O24Th
_chemical_formula_sum "Li1 Sn3 Sb1 P6 O24 Th1"
_cell_length_a 8.97603583
_cell_length_b 8.97603583
_cell_length_c 8.97603585
_cell_angle_alpha 58.29544487000001
_cell_angle_beta 58.29544487
_cell_angle_gamma 58.295447... |
InsertBetweenAtomsAction | 1f2ab47a-2f73-4602-a34a-955fd4afa648 | mp-705680 | Insert a Cn atom in the line between atoms at indices 4 and 21, and the inserted atom must be 4.28 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La4Mo4O18
_chemical_formula_sum "La4 Mo4 O18"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999998
_... | data_image0
_chemical_formula_structural La4Mo4O18Cn
_chemical_formula_sum "La4 Mo4 O18 Cn1"
_cell_length_a 7.270955
_cell_length_b 7.289629140000001
_cell_length_c 7.34939515
_cell_angle_alpha 89.47068859
_cell_angle_beta 88.35481316000002
_cell_angle_gamma 87.76302988999... |
InsertBetweenAtomsAction | 157db7fd-10da-4d31-9534-d35d59ac6662 | mp-766004 | Insert a Am atom in the line between atoms at indices 32 and 4, and the inserted atom must be 0.55 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Li8V4C8O24
_chemical_formula_sum "Li8 V4 C8 O24"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.00009645
_sp... | data_image0
_chemical_formula_structural Li8V4C8O24Am
_chemical_formula_sum "Li8 V4 C8 O24 Am1"
_cell_length_a 4.904079
_cell_length_b 13.0407102
_cell_length_c 8.422585780000002
_cell_angle_alpha 100.73298235
_cell_angle_beta 89.99971249000001
_cell_angle_gamma 90.0000964... |
InsertBetweenAtomsAction | 21f320ac-f13e-44a8-bac6-0dba980c4bba | mp-1228545 | Insert a Am atom in the line between atoms at indices 5 and 2, and the inserted atom must be 1.48 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Am
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13 Am1"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090... |
InsertBetweenAtomsAction | 6caabcc2-37d1-48df-ab8e-7d957da82f73 | mp-1201281 | Insert a Cn atom in the line between atoms at indices 31 and 13, and the inserted atom must be 2.45 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Cs4Np4Mo4O28
_chemical_formula_sum "Cs4 Np4 Mo4 O28"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Cs4Np4Mo4O28Cn
_chemical_formula_sum "Cs4 Np4 Mo4 O28 Cn1"
_cell_length_a 8.198976
_cell_length_b 9.448569
_cell_length_c 10.543912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | e1ab4c31-b5c4-4a66-9f73-fa0ca2865bf8 | mp-14485 | Insert a Cm atom in the line between atoms at indices 34 and 47, and the inserted atom must be 6.99 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural La2Ta14O38
_chemical_formula_sum "La2 Ta14 O38"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.99979361999999
_sp... | data_image0
_chemical_formula_structural La2Ta14O38Cm
_chemical_formula_sum "La2 Ta14 O38 Cm1"
_cell_length_a 6.25040787
_cell_length_b 6.250408
_cell_length_c 20.044161369999998
_cell_angle_alpha 89.99992227
_cell_angle_beta 89.99994067
_cell_angle_gamma 119.9997936199999... |
InsertBetweenAtomsAction | c6132a65-6d3e-4d74-a48e-198a592c1f47 | mp-696189 | Insert a Cu atom in the line between atoms at indices 11 and 38, and the inserted atom must be 2.31 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Tl2H12N6O24
_chemical_formula_sum "Tl2 H12 N6 O24"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66059958... | data_image0
_chemical_formula_structural Tl2H12N6O24Cu
_chemical_formula_sum "Tl2 H12 N6 O24 Cu1"
_cell_length_a 7.88195585
_cell_length_b 7.88195585
_cell_length_c 7.88195497
_cell_angle_alpha 100.66060389999998
_cell_angle_beta 100.66060389999998
_cell_angle_gamma 100.66... |
InsertBetweenAtomsAction | a7ca35d6-83e0-48db-882d-585d90574881 | mp-1217387 | Insert a Dy atom in the line between atoms at indices 6 and 5, and the inserted atom must be 2.97 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural U2Ge4Rh4
_chemical_formula_sum "U2 Ge4 Rh4"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... | data_image0
_chemical_formula_structural U2Ge4Rh4Dy
_chemical_formula_sum "U2 Ge4 Rh4 Dy1"
_cell_length_a 5.031406
_cell_length_b 5.031406
_cell_length_c 7.612934
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
InsertBetweenAtomsAction | 1c7c80a7-2857-4a13-b677-3ff5aee888b5 | mp-1103193 | Insert a Cn atom in the line between atoms at indices 9 and 10, and the inserted atom must be 2.18 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Eu4Al4Au4
_chemical_formula_sum "Eu4 Al4 Au4"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space_group... | data_image0
_chemical_formula_structural Eu4Al4Au4Cn
_chemical_formula_sum "Eu4 Al4 Au4 Cn1"
_cell_length_a 4.62465214
_cell_length_b 7.53465221
_cell_length_c 7.71137775
_cell_angle_alpha 90.00196137
_cell_angle_beta 89.99997352
_cell_angle_gamma 89.99999955000001
_space... |
InsertBetweenAtomsAction | f2041ecc-dabf-4a2f-9b28-6e501f117015 | mp-1229180 | Insert a Cr atom in the line between atoms at indices 11 and 3, and the inserted atom must be 3.31 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ag8Sb5As3S16
_chemical_formula_sum "Ag8 Sb5 As3 S16"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_group_n... | data_image0
_chemical_formula_structural Ag8Sb5As3S16Cr
_chemical_formula_sum "Ag8 Sb5 As3 S16 Cr1"
_cell_length_a 5.973633
_cell_length_b 8.81196699
_cell_length_c 13.715369
_cell_angle_alpha 95.73033089
_cell_angle_beta 90.35217693
_cell_angle_gamma 90.08628863
_space_g... |
InsertBetweenAtomsAction | 523098e0-4b8c-4cfa-b7f2-a28fe3d4a6d3 | mp-568422 | Insert a Fr atom in the line between atoms at indices 10 and 2, and the inserted atom must be 2.24 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na2Ag2C4N4
_chemical_formula_sum "Na2 Ag2 C4 N4"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_space_g... | data_image0
_chemical_formula_structural Na2Ag2C4N4Fr
_chemical_formula_sum "Na2 Ag2 C4 N4 Fr1"
_cell_length_a 3.84354959
_cell_length_b 3.84354959
_cell_length_c 17.64199814
_cell_angle_alpha 88.71636565
_cell_angle_beta 88.71636565
_cell_angle_gamma 59.55760556999999
_s... |
InsertBetweenAtomsAction | 51206e0a-8a3a-44e2-90b3-f4e60e329bc4 | mp-1213761 | Insert a Er atom in the line between atoms at indices 25 and 10, and the inserted atom must be 7.34 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cr4Ni8B4O20
_chemical_formula_sum "Cr4 Ni8 B4 O20"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Cr4Ni8B4O20Er
_chemical_formula_sum "Cr4 Ni8 B4 O20 Er1"
_cell_length_a 3.031867
_cell_length_b 9.311684
_cell_length_c 12.240526
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | dbada8a8-d020-44e4-9d2f-a84a0787ee2d | mp-557801 | Insert a Cf atom in the line between atoms at indices 34 and 45, and the inserted atom must be 5.42 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_space_grou... | data_image0
_chemical_formula_structural K2Ba6Ca8V14Cu6O56Cf
_chemical_formula_sum "K2 Ba6 Ca8 V14 Cu6 O56 Cf1"
_cell_length_a 11.42723405
_cell_length_b 11.42723405
_cell_length_c 12.455723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000031
_spac... |
InsertBetweenAtomsAction | 38cf98e4-0756-4f29-bb66-6582161a866b | mp-1202750 | Insert a Po atom in the line between atoms at indices 26 and 8, and the inserted atom must be 6.73 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Nd5P12Ru19
_chemical_formula_sum "Nd5 P12 Ru19"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Nd5P12Ru19Po
_chemical_formula_sum "Nd5 P12 Ru19 Po1"
_cell_length_a 12.62692714
_cell_length_b 12.62692714
_cell_length_c 4.014182
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000594999999
_space_group_name... |
InsertBetweenAtomsAction | de75be98-a16e-44fa-8053-6cac37989b50 | mp-1104719 | Insert a Cs atom in the line between atoms at indices 10 and 1, and the inserted atom must be 0.35 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural GdAl8Fe4
_chemical_formula_sum "Gd1 Al8 Fe4"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_name_H-M... | data_image0
_chemical_formula_structural GdAl8Fe4Cs
_chemical_formula_sum "Gd1 Al8 Fe4 Cs1"
_cell_length_a 5.103752
_cell_length_b 6.78118467
_cell_length_c 6.78118467
_cell_angle_alpha 81.85871374
_cell_angle_beta 67.89425664
_cell_angle_gamma 67.89425664
_space_group_na... |
InsertBetweenAtomsAction | 5be69146-5f52-46f7-a952-277dde417130 | mp-1196042 | Insert a Ds atom in the line between atoms at indices 26 and 18, and the inserted atom must be 3.18 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Ds
_chemical_formula_sum "Na4 H36 Pt2 N12 F12 Ds1"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613... |
InsertBetweenAtomsAction | 3c6d9810-32b6-457c-a2ae-0ae11afd811f | mp-1347506 | Insert a Rh atom in the line between atoms at indices 11 and 6, and the inserted atom must be 2.33 angstrom from atom at 11 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 Mg4Cu2Ir2O12Rh
_chemical_formula_sum "Mg4 Cu2 Ir2 O12 Rh1"
_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 | 171a0be4-d60f-489f-886b-8bb1f37fa987 | mp-777558 | Insert a Br atom in the line between atoms at indices 2 and 10, and the inserted atom must be 0.77 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Li32Ti3Cr13O48
_chemical_formula_sum "Li32 Ti3 Cr13 O48"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_space_g... | data_image0
_chemical_formula_structural Li32Ti3Cr13O48Br
_chemical_formula_sum "Li32 Ti3 Cr13 O48 Br1"
_cell_length_a 5.054473
_cell_length_b 8.74335811
_cell_length_c 19.54708124
_cell_angle_alpha 97.99953062
_cell_angle_beta 94.93879759
_cell_angle_gamma 89.58071161
_s... |
InsertBetweenAtomsAction | 48eda281-0232-4313-94b0-a90e798d8d11 | mp-1080028 | Insert a I atom in the line between atoms at indices 3 and 6, and the inserted atom must be 3.75 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sr2ZrTiO6
_chemical_formula_sum "Sr2 Zr1 Ti1 O6"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445
_s... | data_image0
_chemical_formula_structural Sr2ZrTiO6I
_chemical_formula_sum "Sr2 Zr1 Ti1 O6 I1"
_cell_length_a 5.74935971
_cell_length_b 5.74935971
_cell_length_c 5.74935971
_cell_angle_alpha 120.33852864999999
_cell_angle_beta 120.33852864999999
_cell_angle_gamma 89.4146445... |
InsertBetweenAtomsAction | 85e819ee-77b0-4a48-ae71-ea80bc23c687 | mp-1175073 | Insert a Cl atom in the line between atoms at indices 0 and 16, and the inserted atom must be 1.68 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li7Mn2Co3O12
_chemical_formula_sum "Li7 Mn2 Co3 O12"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li7Mn2Co3O12Cl
_chemical_formula_sum "Li7 Mn2 Co3 O12 Cl1"
_cell_length_a 8.813284
_cell_length_b 5.034429
_cell_length_c 5.11380087
_cell_angle_alpha 70.78771484
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | fb454774-207d-4d30-9c3a-628a911caef2 | mp-1228475 | Insert a Nh atom in the line between atoms at indices 47 and 20, and the inserted atom must be 3.54 angstrom from atom at 47 in the cif file. | data_image0
_chemical_formula_structural Ba10Mn2Co8O28
_chemical_formula_sum "Ba10 Mn2 Co8 O28"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba10Mn2Co8O28Nh
_chemical_formula_sum "Ba10 Mn2 Co8 O28 Nh1"
_cell_length_a 5.789929
_cell_length_b 10.016607
_cell_length_c 12.0896831
_cell_angle_alpha 89.94737559
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
InsertBetweenAtomsAction | a6f03fa9-4217-4095-a5eb-fd757adf441a | mp-505638 | Insert a Sr atom in the line between atoms at indices 18 and 22, and the inserted atom must be 5.13 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Tb12Cr4Se24
_chemical_formula_sum "Tb12 Cr4 Se24"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb12Cr4Se24Sr
_chemical_formula_sum "Tb12 Cr4 Se24 Sr1"
_cell_length_a 3.93849841
_cell_length_b 13.95269839
_cell_length_c 16.78435688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 415e63f2-e74a-4626-855d-e79a9cbf1747 | mp-2227274 | Insert a Tl atom in the line between atoms at indices 7 and 5, and the inserted atom must be 1.82 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgW2Br4O4
_chemical_formula_sum "Mg1 W2 Br4 O4"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.180800... | data_image0
_chemical_formula_structural MgW2Br4O4Tl
_chemical_formula_sum "Mg1 W2 Br4 O4 Tl1"
_cell_length_a 3.90211479
_cell_length_b 7.882914479999999
_cell_length_c 9.200331650000003
_cell_angle_alpha 90.65751333
_cell_angle_beta 90.02104745000001
_cell_angle_gamma 90.... |
InsertBetweenAtomsAction | 21def501-ade7-4137-9f9b-2968e0b986be | mp-773104 | Insert a No atom in the line between atoms at indices 5 and 17, and the inserted atom must be 3.50 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Sr24Fe16O55
_chemical_formula_sum "Sr24 Fe16 O55"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002
_spa... | data_image0
_chemical_formula_structural Sr24Fe16O55No
_chemical_formula_sum "Sr24 Fe16 O55 No1"
_cell_length_a 11.92926253
_cell_length_b 11.92926253
_cell_length_c 11.06873282
_cell_angle_alpha 76.58739133
_cell_angle_beta 76.58739133
_cell_angle_gamma 117.50833022000002... |
InsertBetweenAtomsAction | 00b52e9c-c99c-439b-93a0-45b1bbf5b97c | mp-1644899 | Insert a Os atom in the line between atoms at indices 21 and 26, and the inserted atom must be 1.50 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24Os
_chemical_formula_sum "Li6 V4 C8 O24 Os1"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_g... |
InsertBetweenAtomsAction | e4a20b51-0bda-4fe5-9cb8-ac6488f504dd | mp-1183955 | Insert a K atom in the line between atoms at indices 6 and 2, and the inserted atom must be 6.06 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Cs4H4S4
_chemical_formula_sum "Cs4 H4 S4"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.11382687999999
_... | data_image0
_chemical_formula_structural Cs4H4S4K
_chemical_formula_sum "Cs4 H4 S4 K1"
_cell_length_a 7.45097573
_cell_length_b 7.45097573
_cell_length_c 7.45097573
_cell_angle_alpha 112.21452372999998
_cell_angle_beta 112.21452372999998
_cell_angle_gamma 104.1138268799999... |
InsertBetweenAtomsAction | dbf631b3-04da-44f9-8b30-040a96b97e51 | mp-770517 | Insert a Re atom in the line between atoms at indices 13 and 77, and the inserted atom must be 6.37 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Li36Al4Ni8O32
_chemical_formula_sum "Li36 Al4 Ni8 O32"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li36Al4Ni8O32Re
_chemical_formula_sum "Li36 Al4 Ni8 O32 Re1"
_cell_length_a 6.370312
_cell_length_b 7.510015
_cell_length_c 15.826979
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | f85172a7-b616-4a06-8d0b-feaad17538b7 | mp-1226835 | Insert a Cu atom in the line between atoms at indices 9 and 0, and the inserted atom must be 1.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Ce4Al6Ru2
_chemical_formula_sum "Ce4 Al6 Ru2"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ce4Al6Ru2Cu
_chemical_formula_sum "Ce4 Al6 Ru2 Cu1"
_cell_length_a 5.57111515
_cell_length_b 5.57111515
_cell_length_c 8.774832
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998989000001
_space_group_name_H-M... |
InsertBetweenAtomsAction | 25ebfe21-3fe6-44ca-9f73-02a81d274f00 | mp-1182591 | Insert a Be atom in the line between atoms at indices 3 and 9, and the inserted atom must be 4.94 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Ho3Sn7
_chemical_formula_sum "Ho3 Sn7"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ho3Sn7Be
_chemical_formula_sum "Ho3 Sn7 Be1"
_cell_length_a 14.33178552
_cell_length_b 14.33178552
_cell_length_c 44.53407
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 167.95461124999997
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | a7a4f052-b6d4-414f-8062-8e9ad7577626 | mp-2526683 | Insert a No atom in the line between atoms at indices 16 and 15, and the inserted atom must be 2.86 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural W7O21
_chemical_formula_sum "W7 O21"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_group_na... | data_image0
_chemical_formula_structural W7O21No
_chemical_formula_sum "W7 O21 No1"
_cell_length_a 7.4016886
_cell_length_b 7.57954804
_cell_length_c 8.43502873
_cell_angle_alpha 101.27526302999999
_cell_angle_beta 90.09988539000001
_cell_angle_gamma 90.05475677
_space_gr... |
InsertBetweenAtomsAction | 32d347f2-d6f0-4355-9fbd-1df1f55c572b | mp-1245329 | Insert a Ar atom in the line between atoms at indices 50 and 7, and the inserted atom must be 2.14 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Sn40O40Ar
_chemical_formula_sum "Sn40 O40 Ar1"
_cell_length_a 11.34094743
_cell_length_b 12.19680335
_cell_length_c 12.54310877
_cell_angle_alpha 93.1688471
_cell_angle_beta 88.2789353
_cell_angle_gamma 85.34718162
_space_group_nam... |
InsertBetweenAtomsAction | c3f43c4c-170d-413a-9b15-fef53d81b609 | mp-568040 | Insert a P atom in the line between atoms at indices 4 and 0, and the inserted atom must be 0.98 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La2AlNi9
_chemical_formula_sum "La2 Al1 Ni9"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_name_... | data_image0
_chemical_formula_structural La2AlNi9P
_chemical_formula_sum "La2 Al1 Ni9 P1"
_cell_length_a 4.95176912
_cell_length_b 4.95172729
_cell_length_c 7.98725521
_cell_angle_alpha 90.00047588
_cell_angle_beta 89.99951776
_cell_angle_gamma 119.08056806
_space_group_n... |
InsertBetweenAtomsAction | 0f5ee97f-0675-4f55-8ce4-2ebe1f65ccd4 | mp-1234087 | Insert a Br atom in the line between atoms at indices 31 and 17, and the inserted atom must be 1.21 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural MgMn4Cu2P6O24
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999999
_... | data_image0
_chemical_formula_structural MgMn4Cu2P6O24Br
_chemical_formula_sum "Mg1 Mn4 Cu2 P6 O24 Br1"
_cell_length_a 8.35917693
_cell_length_b 8.30749622
_cell_length_c 9.38006093
_cell_angle_alpha 59.20311101
_cell_angle_beta 58.79414886
_cell_angle_gamma 62.36155787999... |
InsertBetweenAtomsAction | 4fdcffbf-3e3f-4c8d-a453-3e8c68f5e124 | mp-17177 | Insert a H atom in the line between atoms at indices 25 and 31, and the inserted atom must be 0.67 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Nb8Zn4O24
_chemical_formula_sum "Nb8 Zn4 O24"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Nb8Zn4O24H
_chemical_formula_sum "Nb8 Zn4 O24 H1"
_cell_length_a 5.05574439
_cell_length_b 5.76456888
_cell_length_c 14.2852666
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | cc963f16-86f9-4812-a82c-0256437859b8 | mp-24064 | Insert a Po atom in the line between atoms at indices 9 and 12, and the inserted atom must be 3.38 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural P4H4F8
_chemical_formula_sum "P4 H4 F8"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural P4H4F8Po
_chemical_formula_sum "P4 H4 F8 Po1"
_cell_length_a 4.68248
_cell_length_b 6.537462
_cell_length_c 8.127723
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... |
InsertBetweenAtomsAction | a209e723-07fa-448d-801e-ae37339b0b18 | mp-1022213 | Insert a Lr atom in the line between atoms at indices 4 and 3, and the inserted atom must be 0.69 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg12Nb2Fe2
_chemical_formula_sum "Mg12 Nb2 Fe2"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural Mg12Nb2Fe2Lr
_chemical_formula_sum "Mg12 Nb2 Fe2 Lr1"
_cell_length_a 4.830719
_cell_length_b 5.726148
_cell_length_c 10.908532
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | c0a3ec69-46bc-4a14-948d-41e4f90f5734 | mp-1112234 | Insert a Nb atom in the line between atoms at indices 3 and 1, and the inserted atom must be 2.42 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6Nb
_chemical_formula_sum "K2 Ga1 Hg1 F6 Nb1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | b5366b35-e852-44e8-ae43-3fea5c4478ee | mp-607816 | Insert a Rn atom in the line between atoms at indices 1 and 5, and the inserted atom must be 2.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural U4Fe4Ge4
_chemical_formula_sum "U4 Fe4 Ge4"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4Fe4Ge4Rn
_chemical_formula_sum "U4 Fe4 Ge4 Rn1"
_cell_length_a 4.40635433
_cell_length_b 7.0081811
_cell_length_c 6.93964082
_cell_angle_alpha 94.07646617999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | f973ae63-4be5-49c1-91f2-f9e05d3afe38 | mp-1043054 | Insert a Sn atom in the line between atoms at indices 33 and 38, and the inserted atom must be 1.80 angstrom from atom at 33 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36Sn
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36 Sn1"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | dacade9e-7c6a-4f84-b3c2-191df74de03b | mp-1195664 | Insert a Po atom in the line between atoms at indices 19 and 35, and the inserted atom must be 0.82 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Sr8P28Br4
_chemical_formula_sum "Sr8 P28 Br4"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sr8P28Br4Po
_chemical_formula_sum "Sr8 P28 Br4 Po1"
_cell_length_a 9.88982955
_cell_length_b 9.88982955
_cell_length_c 9.88982955
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 9fa922a8-6bf4-425f-a707-bd31822c79ea | mp-28355 | Insert a Br atom in the line between atoms at indices 11 and 10, and the inserted atom must be 3.76 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Na8Ge4Se10
_chemical_formula_sum "Na8 Ge4 Se10"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_space_gro... | data_image0
_chemical_formula_structural Na8Ge4Se10Br
_chemical_formula_sum "Na8 Ge4 Se10 Br1"
_cell_length_a 7.06809904
_cell_length_b 8.08216366
_cell_length_c 10.67419123
_cell_angle_alpha 73.4154392
_cell_angle_beta 70.84239573
_cell_angle_gamma 81.69456103000002
_spa... |
InsertBetweenAtomsAction | 56a04211-6a02-4067-b8e8-b002ce01d7b4 | mp-755078 | Insert a Cl atom in the line between atoms at indices 18 and 4, and the inserted atom must be 2.29 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr2Ti6N2O11
_chemical_formula_sum "Sr2 Ti6 N2 O11"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.587452199999998
... | data_image0
_chemical_formula_structural Sr2Ti6N2O11Cl
_chemical_formula_sum "Sr2 Ti6 N2 O11 Cl1"
_cell_length_a 7.80399505
_cell_length_b 7.803995049999999
_cell_length_c 9.33634307
_cell_angle_alpha 80.96641373
_cell_angle_beta 80.96641373
_cell_angle_gamma 28.5874521999... |
InsertBetweenAtomsAction | 356b6439-5137-4984-b95e-8a03a97cd751 | mp-2218385 | Insert a Np atom in the line between atoms at indices 1 and 7, and the inserted atom must be 1.22 angstrom from atom at 1 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 MgMn4O4F4Np
_chemical_formula_sum "Mg1 Mn4 O4 F4 Np1"
_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 | 25d18a1c-0aa0-4245-8dbe-bf3cb2524f27 | mp-568987 | Insert a Sn atom in the line between atoms at indices 10 and 1, and the inserted atom must be 2.22 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4Be2H8
_chemical_formula_sum "Na4 Be2 H8"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Be2H8Sn
_chemical_formula_sum "Na4 Be2 H8 Sn1"
_cell_length_a 4.93980793
_cell_length_b 5.00562814
_cell_length_c 6.68633571
_cell_angle_alpha 100.78364298000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | b0c9e474-0f6e-4271-9a39-8bb8430339c2 | mp-1188599 | Insert a Os atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.88 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Gd6Sb8Au6
_chemical_formula_sum "Gd6 Sb8 Au6"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_na... | data_image0
_chemical_formula_structural Gd6Sb8Au6Os
_chemical_formula_sum "Gd6 Sb8 Au6 Os1"
_cell_length_a 8.66466557
_cell_length_b 8.66466557
_cell_length_c 8.66466557
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_gr... |
InsertBetweenAtomsAction | 671c88ca-90ea-46c5-a899-1db1b87a7c08 | mp-1214189 | Insert a Mn atom in the line between atoms at indices 26 and 10, and the inserted atom must be 4.28 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Be6Si6C8S2O24
_chemical_formula_sum "Be6 Si6 C8 S2 O24"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Be6Si6C8S2O24Mn
_chemical_formula_sum "Be6 Si6 C8 S2 O24 Mn1"
_cell_length_a 8.021437
_cell_length_b 8.021437
_cell_length_c 8.021437
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 4ec36b4c-e79a-4835-8813-39bfaf47840d | mp-981356 | Insert a Ti atom in the line between atoms at indices 6 and 0, and the inserted atom must be 1.92 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural ZrFe6Ge6
_chemical_formula_sum "Zr1 Fe6 Ge6"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
_space... | data_image0
_chemical_formula_structural ZrFe6Ge6Ti
_chemical_formula_sum "Zr1 Fe6 Ge6 Ti1"
_cell_length_a 5.06194756
_cell_length_b 5.06194905
_cell_length_c 8.16529384
_cell_angle_alpha 89.99999802
_cell_angle_beta 90.00000047999998
_cell_angle_gamma 119.99898177999998
... |
InsertBetweenAtomsAction | 42128b63-24f2-4cce-8977-8e734be462be | mp-697575 | Insert a Lu atom in the line between atoms at indices 26 and 6, and the inserted atom must be 0.89 angstrom from atom at 26 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 Rb8Zn4H16Lu
_chemical_formula_sum "Rb8 Zn4 H16 Lu1"
_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 | a2c888b8-63c7-40dc-9faa-f22237a36791 | mp-1233200 | Insert a Cs atom in the line between atoms at indices 12 and 5, and the inserted atom must be 3.53 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural MgMn6O4F8
_chemical_formula_sum "Mg1 Mn6 O4 F8"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_group_nam... | data_image0
_chemical_formula_structural MgMn6O4F8Cs
_chemical_formula_sum "Mg1 Mn6 O4 F8 Cs1"
_cell_length_a 5.30340774
_cell_length_b 8.03750096
_cell_length_c 5.67783079
_cell_angle_alpha 91.17807209
_cell_angle_beta 95.38871773
_cell_angle_gamma 84.53706938
_space_gro... |
InsertBetweenAtomsAction | 3993a265-e2c4-457f-ab46-a08b61ba8776 | mp-1179727 | Insert a Ge atom in the line between atoms at indices 28 and 72, and the inserted atom must be 7.59 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Rh12S12Cl60
_chemical_formula_sum "Rh12 S12 Cl60"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Rh12S12Cl60Ge
_chemical_formula_sum "Rh12 S12 Cl60 Ge1"
_cell_length_a 13.90672218
_cell_length_b 13.906722179999997
_cell_length_c 27.499011849999995
_cell_angle_alpha 61.931675529999985
_cell_angle_beta 61.93167552999999
_cell_angle_... |
InsertBetweenAtomsAction | 5209d7aa-6dc0-40f1-8eb0-1cd521ba305b | mp-1215706 | Insert a P atom in the line between atoms at indices 0 and 3, and the inserted atom must be 2.32 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural ZnCuW2O8
_chemical_formula_sum "Zn1 Cu1 W2 O8"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_group_na... | data_image0
_chemical_formula_structural ZnCuW2O8P
_chemical_formula_sum "Zn1 Cu1 W2 O8 P1"
_cell_length_a 4.745246
_cell_length_b 5.01087319
_cell_length_c 5.88285058
_cell_angle_alpha 88.3537652
_cell_angle_beta 86.01154898000001
_cell_angle_gamma 87.1501431
_space_grou... |
InsertBetweenAtomsAction | 62ec9c9f-481d-4f09-9a9c-23359ed35b1b | mp-771831 | Insert a Dy atom in the line between atoms at indices 18 and 34, and the inserted atom must be 6.81 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Sr8La4Cl28
_chemical_formula_sum "Sr8 La4 Cl28"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr8La4Cl28Dy
_chemical_formula_sum "Sr8 La4 Cl28 Dy1"
_cell_length_a 13.353074
_cell_length_b 7.20691
_cell_length_c 12.51469174
_cell_angle_alpha 88.74568879999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 942c7aea-a037-48e5-b793-9d3a2129f8dc | mp-1233037 | Insert a I atom in the line between atoms at indices 4 and 10, and the inserted atom must be 5.88 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_space... | data_image0
_chemical_formula_structural CaTb4Al2Fe2O12I
_chemical_formula_sum "Ca1 Tb4 Al2 Fe2 O12 I1"
_cell_length_a 6.14280864
_cell_length_b 6.25456642
_cell_length_c 7.08114982
_cell_angle_alpha 89.64869534
_cell_angle_beta 85.5275652
_cell_angle_gamma 91.98623958
_s... |
InsertBetweenAtomsAction | db6635e4-3ddf-45da-8764-b37870c37f68 | mp-558219 | Insert a Si atom in the line between atoms at indices 0 and 6, and the inserted atom must be 6.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr2Li2B6S12
_chemical_formula_sum "Sr2 Li2 B6 S12"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_group_... | data_image0
_chemical_formula_structural Sr2Li2B6S12Si
_chemical_formula_sum "Sr2 Li2 B6 S12 Si1"
_cell_length_a 8.73321635
_cell_length_b 8.73321635
_cell_length_c 8.07059009
_cell_angle_alpha 66.73283703
_cell_angle_beta 66.73283703
_cell_angle_gamma 60.35373061
_space_... |
InsertBetweenAtomsAction | 5836afed-7811-4d3f-9326-0ab6f36ac864 | mp-1173973 | Insert a Ir atom in the line between atoms at indices 14 and 4, and the inserted atom must be 0.98 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Li5Mn2CoO8
_chemical_formula_sum "Li5 Mn2 Co1 O8"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431964
_... | data_image0
_chemical_formula_structural Li5Mn2CoO8Ir
_chemical_formula_sum "Li5 Mn2 Co1 O8 Ir1"
_cell_length_a 5.13395128
_cell_length_b 5.8712364699999995
_cell_length_c 5.87250821
_cell_angle_alpha 58.22240621999999
_cell_angle_beta 71.15339071
_cell_angle_gamma 71.1431... |
InsertBetweenAtomsAction | 9e4aa9a2-6c08-4149-a5dd-a1394ae3d298 | mp-1049235 | Insert a Dy atom in the line between atoms at indices 11 and 10, and the inserted atom must be 1.17 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural La2Ta2Zn2Cr2O12Dy
_chemical_formula_sum "La2 Ta2 Zn2 Cr2 O12 Dy1"
_cell_length_a 5.725048
_cell_length_b 5.422845
_cell_length_c 10.00285536
_cell_angle_alpha 58.01628817999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
InsertBetweenAtomsAction | af314e1f-23bd-4fae-b484-5b974e1d9dc0 | mp-572465 | Insert a Ts atom in the line between atoms at indices 28 and 18, and the inserted atom must be 0.39 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Cr4Cu4P8S24
_chemical_formula_sum "Cr4 Cu4 P8 S24"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cr4Cu4P8S24Ts
_chemical_formula_sum "Cr4 Cu4 P8 S24 Ts1"
_cell_length_a 10.378013
_cell_length_b 5.985366
_cell_length_c 14.53043325
_cell_angle_alpha 74.92798852
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 34095f4e-0e55-4c4b-a8b5-3e4893339354 | mp-1188256 | Insert a Fr atom in the line between atoms at indices 0 and 7, and the inserted atom must be 3.03 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural U4Ni4Se12
_chemical_formula_sum "U4 Ni4 Se12"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_... | data_image0
_chemical_formula_structural U4Ni4Se12Fr
_chemical_formula_sum "U4 Ni4 Se12 Fr1"
_cell_length_a 6.255074
_cell_length_b 7.38731
_cell_length_c 8.8402
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
InsertBetweenAtomsAction | 5dcdf224-f8a2-4c75-b582-4153b9411069 | mp-1201935 | Insert a Ar atom in the line between atoms at indices 3 and 43, and the inserted atom must be 1.05 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural K8P8H16O28
_chemical_formula_sum "K8 P8 H16 O28"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural K8P8H16O28Ar
_chemical_formula_sum "K8 P8 H16 O28 Ar1"
_cell_length_a 7.836889
_cell_length_b 10.18344283
_cell_length_c 10.37658468
_cell_angle_alpha 93.40981959000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 7eaeb602-5c26-476c-b761-f513fd559510 | mp-8762 | Insert a O atom in the line between atoms at indices 18 and 5, and the inserted atom must be 1.30 angstrom from atom at 18 in the cif file. | data_image0
_chemical_formula_structural Er8S8O4
_chemical_formula_sum "Er8 S8 O4"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Er8S8O5
_chemical_formula_sum "Er8 S8 O5"
_cell_length_a 6.79738802
_cell_length_b 6.78756073
_cell_length_c 8.18333571
_cell_angle_alpha 80.45408257
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | a1ce6668-f0fa-4e7b-a5ca-b79697700bf4 | mp-1195020 | Insert a Sm atom in the line between atoms at indices 38 and 10, and the inserted atom must be 1.91 angstrom from atom at 38 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 Pr4Tl4P8Se24Sm
_chemical_formula_sum "Pr4 Tl4 P8 Se24 Sm1"
_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 | b20e5381-b108-47b2-94ca-a9a81be1e7c3 | mp-756349 | Insert a At atom in the line between atoms at indices 12 and 4, and the inserted atom must be 1.14 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Mn3CuP4O16
_chemical_formula_sum "Mn3 Cu1 P4 O16"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Mn3CuP4O16At
_chemical_formula_sum "Mn3 Cu1 P4 O16 At1"
_cell_length_a 6.009187
_cell_length_b 4.904914
_cell_length_c 9.82965348
_cell_angle_alpha 89.21079258
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9cc6787a-8bde-4111-84ed-19c8c60737df | mp-1328951 | Insert a Ti atom in the line between atoms at indices 44 and 14, and the inserted atom must be 1.07 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32
_chemical_formula_sum "Ta8 Mn4 Zn4 O32"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
_space... | data_image0
_chemical_formula_structural Ta8Mn4Zn4O32Ti
_chemical_formula_sum "Ta8 Mn4 Zn4 O32 Ti1"
_cell_length_a 5.0959081
_cell_length_b 5.74841374
_cell_length_c 19.66740339
_cell_angle_alpha 90.00850828
_cell_angle_beta 83.7842863
_cell_angle_gamma 90.00567482000001
... |
InsertBetweenAtomsAction | 555804c3-7b80-411b-b343-bdbf689d34a5 | mp-1245786 | Insert a Lu 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 In12Ga8N16
_chemical_formula_sum "In12 Ga8 N16"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... | data_image0
_chemical_formula_structural In12Ga8N16Lu
_chemical_formula_sum "In12 Ga8 N16 Lu1"
_cell_length_a 6.338033
_cell_length_b 10.699933
_cell_length_c 8.523877
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | c41a4361-7eaf-4de0-a73d-dc17578d8551 | mp-753939 | Insert a Sr atom in the line between atoms at indices 0 and 2, and the inserted atom must be 1.17 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li4Sn4P4O16
_chemical_formula_sum "Li4 Sn4 P4 O16"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Li4Sn4P4O16Sr
_chemical_formula_sum "Li4 Sn4 P4 O16 Sr1"
_cell_length_a 4.868779
_cell_length_b 7.169465
_cell_length_c 10.870271
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | bffc7e10-a250-4369-8731-810330770175 | mp-752419 | Insert a Ir atom in the line between atoms at indices 1 and 23, and the inserted atom must be 0.60 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4I16
_chemical_formula_sum "Sr4 Ca4 I16"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Sr4Ca4I16Ir
_chemical_formula_sum "Sr4 Ca4 I16 Ir1"
_cell_length_a 10.902408
_cell_length_b 9.831828
_cell_length_c 11.36168132
_cell_angle_alpha 56.41853334
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 56b27a3c-cb94-405d-8ff9-22ec33aa2df9 | mp-1026593 | Insert a Dy atom in the line between atoms at indices 2 and 8, and the inserted atom must be 3.65 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural CsMg14W
_chemical_formula_sum "Cs1 Mg14 W1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_name_H... | data_image0
_chemical_formula_structural CsMg14WDy
_chemical_formula_sum "Cs1 Mg14 W1 Dy1"
_cell_length_a 6.45874453
_cell_length_b 6.458744000000001
_cell_length_c 10.66315161
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000273999999
_space_group_... |
InsertBetweenAtomsAction | 5ec3aa9c-33ff-4558-9e72-ca7e24a9c40a | mp-2753 | Insert a Re atom in the line between atoms at indices 17 and 8, and the inserted atom must be 2.57 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Tl16S12
_chemical_formula_sum "Tl16 S12"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Tl16S12Re
_chemical_formula_sum "Tl16 S12 Re1"
_cell_length_a 7.94340004
_cell_length_b 8.0359841
_cell_length_c 13.09186851
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 103.42541076000002
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 6b99ec32-bbc8-4f6b-8e7f-8dc1df88d4de | mp-1201334 | Insert a Gd atom in the line between atoms at indices 24 and 0, and the inserted atom must be 0.97 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural NiH20PdC4N4O12
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_group_n... | data_image0
_chemical_formula_structural NiH20PdC4N4O12Gd
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12 Gd1"
_cell_length_a 7.190677
_cell_length_b 7.451019
_cell_length_c 9.12756315
_cell_angle_alpha 65.91067253
_cell_angle_beta 66.80266797
_cell_angle_gamma 90.0
_space_g... |
InsertBetweenAtomsAction | 271d38a4-8f50-46d6-a00b-064b630f8f5c | mp-1246366 | Insert a Rn atom in the line between atoms at indices 8 and 0, and the inserted atom must be 0.93 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8
_chemical_formula_sum "Zr2 Cr2 Ag2 S8"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.00027732999999
... | data_image0
_chemical_formula_structural Zr2Cr2Ag2S8Rn
_chemical_formula_sum "Zr2 Cr2 Ag2 S8 Rn1"
_cell_length_a 7.14491313
_cell_length_b 6.122022969999999
_cell_length_c 6.56542107
_cell_angle_alpha 92.21634455
_cell_angle_beta 89.99909616
_cell_angle_gamma 90.0002773299... |
InsertBetweenAtomsAction | 112ce37f-2be1-429d-a2cb-826d6da511de | mp-756744 | Insert a Tm atom in the line between atoms at indices 35 and 1, and the inserted atom must be 3.73 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Li6Co6B6O18
_chemical_formula_sum "Li6 Co6 B6 O18"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04659107... | data_image0
_chemical_formula_structural Li6Co6B6O18Tm
_chemical_formula_sum "Li6 Co6 B6 O18 Tm1"
_cell_length_a 3.08925308
_cell_length_b 8.152493599999998
_cell_length_c 14.140741810000002
_cell_angle_alpha 89.99996666
_cell_angle_beta 90.08398567
_cell_angle_gamma 90.04... |
InsertBetweenAtomsAction | 08abdccf-75fe-41ac-93a1-77a629701374 | mp-1233814 | Insert a U atom in the line between atoms at indices 26 and 27, and the inserted atom must be 3.93 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural MgCr8P4O20
_chemical_formula_sum "Mg1 Cr8 P4 O20"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgCr8P4O20U
_chemical_formula_sum "Mg1 Cr8 P4 O20 U1"
_cell_length_a 7.93919664
_cell_length_b 6.62347725
_cell_length_c 7.59254375
_cell_angle_alpha 90.0
_cell_angle_beta 90.64773219
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | ab8d29b8-13c9-4f0a-9653-9456fcdf1634 | mp-6955 | Insert a Cl atom in the line between atoms at indices 14 and 12, and the inserted atom must be 1.35 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural K4Ge4N4O4
_chemical_formula_sum "K4 Ge4 N4 O4"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural K4Ge4N4O4Cl
_chemical_formula_sum "K4 Ge4 N4 O4 Cl1"
_cell_length_a 5.291175
_cell_length_b 5.81047
_cell_length_c 8.19225
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
InsertBetweenAtomsAction | 6b6e7733-eb46-4859-9d4e-c1f338663792 | mp-1046251 | Insert a C atom in the line between atoms at indices 17 and 5, and the inserted atom must be 2.37 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Ta4Zn4W2O16
_chemical_formula_sum "Ta4 Zn4 W2 O16"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_space_g... | data_image0
_chemical_formula_structural Ta4Zn4W2O16C
_chemical_formula_sum "Ta4 Zn4 W2 O16 C1"
_cell_length_a 5.344397
_cell_length_b 5.98332699
_cell_length_c 10.2602083
_cell_angle_alpha 105.03537055
_cell_angle_beta 90.73260924999998
_cell_angle_gamma 91.18839774
_spa... |
InsertBetweenAtomsAction | ab3198db-b9db-44b9-8bca-525a41e0088c | mp-1229067 | Insert a Al atom in the line between atoms at indices 20 and 44, and the inserted atom must be 2.75 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Ba10Y5Cu15O32
_chemical_formula_sum "Ba10 Y5 Cu15 O32"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma 90.372... | data_image0
_chemical_formula_structural Ba10Y5Cu15O32Al
_chemical_formula_sum "Ba10 Y5 Cu15 O32 Al1"
_cell_length_a 5.517439
_cell_length_b 13.252585109999998
_cell_length_c 14.017815380000002
_cell_angle_alpha 114.07744676
_cell_angle_beta 100.45847076
_cell_angle_gamma ... |
InsertBetweenAtomsAction | b32131bc-e92b-48a2-9021-84ff7ead431f | mp-1275723 | Insert a Na atom in the line between atoms at indices 28 and 16, and the inserted atom must be 0.33 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Li6Mn2Co6O16
_chemical_formula_sum "Li6 Mn2 Co6 O16"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_space_gr... | data_image0
_chemical_formula_structural Li6Mn2Co6O16Na
_chemical_formula_sum "Li6 Mn2 Co6 O16 Na1"
_cell_length_a 5.83741423
_cell_length_b 10.38384092
_cell_length_c 5.83229939
_cell_angle_alpha 90.40334955
_cell_angle_beta 61.76185674
_cell_angle_gamma 107.79446285
_sp... |
InsertBetweenAtomsAction | 126e088e-5588-45b5-b223-7d91abab049e | mp-1245067 | Insert a Ir atom in the line between atoms at indices 66 and 69, and the inserted atom must be 1.75 angstrom from atom at 66 in the cif file. | data_image0
_chemical_formula_structural Al100
_chemical_formula_sum "Al100"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_name_H... | data_image0
_chemical_formula_structural Al100Ir
_chemical_formula_sum "Al100 Ir1"
_cell_length_a 11.98330792
_cell_length_b 12.33519817
_cell_length_c 12.27492286
_cell_angle_alpha 92.56703388000001
_cell_angle_beta 82.72866873
_cell_angle_gamma 85.67109359
_space_group_... |
InsertBetweenAtomsAction | 6031b69a-f98e-4355-91c7-cd30a3eb77ee | mp-1196375 | Insert a Tb atom in the line between atoms at indices 15 and 39, and the inserted atom must be 3.03 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Gd2Cd40Ni4
_chemical_formula_sum "Gd2 Cd40 Ni4"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Gd2Cd40Ni4Tb
_chemical_formula_sum "Gd2 Cd40 Ni4 Tb1"
_cell_length_a 11.16102435
_cell_length_b 11.16102435
_cell_length_c 11.16102435
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
InsertBetweenAtomsAction | eaef4ae6-0d25-4630-9f4a-25ba52858c18 | mp-754190 | Insert a Nd atom in the line between atoms at indices 2 and 9, and the inserted atom must be 2.10 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural VSb3P4O16
_chemical_formula_sum "V1 Sb3 P4 O16"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_group_nam... | data_image0
_chemical_formula_structural VSb3P4O16Nd
_chemical_formula_sum "V1 Sb3 P4 O16 Nd1"
_cell_length_a 4.89385151
_cell_length_b 10.1710212
_cell_length_c 6.85555853
_cell_angle_alpha 89.95998115
_cell_angle_beta 90.15569799
_cell_angle_gamma 94.51696624
_space_gro... |
InsertBetweenAtomsAction | a11bf436-2e0c-4b88-afce-2c411d1a4be4 | mp-1223453 | Insert a As atom in the line between atoms at indices 4 and 7, and the inserted atom must be 0.27 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural La2Ga5Au3
_chemical_formula_sum "La2 Ga5 Au3"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural La2Ga5Au3As
_chemical_formula_sum "La2 Ga5 Au3 As1"
_cell_length_a 4.479646
_cell_length_b 4.479646
_cell_length_c 10.965007
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
InsertBetweenAtomsAction | 7a06f97a-b185-4154-9345-f26914b45b48 | mp-624221 | Insert a Sb atom in the line between atoms at indices 12 and 4, and the inserted atom must be 4.14 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ge6Rh10
_chemical_formula_sum "Ge6 Rh10"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Ge6Rh10Sb
_chemical_formula_sum "Ge6 Rh10 Sb1"
_cell_length_a 3.94900962
_cell_length_b 5.48650678
_cell_length_c 10.49249257
_cell_angle_alpha 90.00030664
_cell_angle_beta 90.0
_cell_angle_gamma 89.99993892999998
_space_group_name... |
InsertBetweenAtomsAction | 2b7a27f3-11ca-48da-8a7b-524a24cecd1b | mp-1075928 | Insert a Rh atom in the line between atoms at indices 38 and 1, and the inserted atom must be 1.20 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Sr4Ca4Co8O24
_chemical_formula_sum "Sr4 Ca4 Co8 O24"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Sr4Ca4Co8O24Rh
_chemical_formula_sum "Sr4 Ca4 Co8 O24 Rh1"
_cell_length_a 7.659349
_cell_length_b 7.659349
_cell_length_c 7.657479
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | b70addf1-2e2e-48b4-83b4-3053e57af27f | mp-1518745 | Insert a Cm atom in the line between atoms at indices 7 and 4, and the inserted atom must be 1.55 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6Cm
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6 Cm1"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 44dc0055-1c6b-487a-962d-dbe917cde549 | mp-2230833 | Insert a Hg atom in the line between atoms at indices 4 and 2, and the inserted atom must be 1.74 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural MgMnV4NiO12
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_space_... | data_image0
_chemical_formula_structural MgMnV4NiO12Hg
_chemical_formula_sum "Mg1 Mn1 V4 Ni1 O12 Hg1"
_cell_length_a 6.93014376
_cell_length_b 7.09159222
_cell_length_c 5.69975092
_cell_angle_alpha 73.78197267
_cell_angle_beta 109.36028362
_cell_angle_gamma 100.90286369
_... |
Subsets and Splits
No community queries yet
The top public SQL queries from the community will appear here once available.