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 | 6fddc3d0-4776-4657-a0fd-4ab3e068f97b | mp-1211275 | Insert a I atom in the line between atoms at indices 1 and 5, and the inserted atom must be 4.20 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural KMg3Si4O12
_chemical_formula_sum "K1 Mg3 Si4 O12"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_group... | data_image0
_chemical_formula_structural KMg3Si4O12I
_chemical_formula_sum "K1 Mg3 Si4 O12 I1"
_cell_length_a 5.31933259
_cell_length_b 5.31933259
_cell_length_c 10.37244294
_cell_angle_alpha 85.73575754
_cell_angle_beta 85.73575754
_cell_angle_gamma 120.82269515
_space_g... |
InsertBetweenAtomsAction | 98f7a813-2e40-40ba-9003-5fcdf0659608 | mp-568136 | Insert a O atom in the line between atoms at indices 22 and 0, and the inserted atom must be 0.69 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Rb6V6Br18
_chemical_formula_sum "Rb6 V6 Br18"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.999950160000... | data_image0
_chemical_formula_structural Rb6V6Br18O
_chemical_formula_sum "Rb6 V6 Br18 O1"
_cell_length_a 12.89200448
_cell_length_b 12.891954179999999
_cell_length_c 6.45834038
_cell_angle_alpha 90.00080995
_cell_angle_beta 89.99957499999998
_cell_angle_gamma 119.99995016... |
InsertBetweenAtomsAction | 9a6b4ee2-d9f0-4005-8743-2cdb653f514f | mp-765621 | Insert a Bh atom in the line between atoms at indices 2 and 16, and the inserted atom must be 3.28 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural V4F20
_chemical_formula_sum "V4 F20"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 V4F20Bh
_chemical_formula_sum "V4 F20 Bh1"
_cell_length_a 13.05659519
_cell_length_b 5.37688666
_cell_length_c 4.87872772
_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 | e828c622-8428-4b65-bab8-d9283e61f7c5 | mp-1104730 | Insert a No atom in the line between atoms at indices 1 and 13, and the inserted atom must be 1.17 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm2Ni8Sn4
_chemical_formula_sum "Sm2 Ni8 Sn4"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_space_... | data_image0
_chemical_formula_structural Sm2Ni8Sn4No
_chemical_formula_sum "Sm2 Ni8 Sn4 No1"
_cell_length_a 6.71814651
_cell_length_b 6.71814651
_cell_length_c 6.7181465099999995
_cell_angle_alpha 107.69357689
_cell_angle_beta 110.36728819
_cell_angle_gamma 110.36728819
_... |
InsertBetweenAtomsAction | 547e03ef-18f6-4b5f-b73a-bdc7a1746c13 | mp-723254 | Insert a Sn atom in the line between atoms at indices 50 and 7, and the inserted atom must be 1.57 angstrom from atom at 50 in the cif file. | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma 119.76... | data_image0
_chemical_formula_structural Na11Zr8Si7P5O48Sn
_chemical_formula_sum "Na11 Zr8 Si7 P5 O48 Sn1"
_cell_length_a 9.14653
_cell_length_b 9.16047102
_cell_length_c 16.214463389999995
_cell_angle_alpha 106.09077692999999
_cell_angle_beta 90.2238237
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 4e732e4e-12d6-4bfd-a5a9-7c61f53963dd | mp-1103810 | Insert a He atom in the line between atoms at indices 9 and 8, and the inserted atom must be 0.97 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Y6Al2C6
_chemical_formula_sum "Y6 Al2 C6"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 Y6Al2C6He
_chemical_formula_sum "Y6 Al2 C6 He1"
_cell_length_a 3.57785812
_cell_length_b 7.05402041
_cell_length_c 9.96492032
_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 | a5bcb633-a49a-4394-a989-5d93d8738a9e | mp-1078810 | Insert a Ac atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.97 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_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 Sc4Sn2Au4Ac
_chemical_formula_sum "Sc4 Sn2 Au4 Ac1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | f7a25e82-ea07-44e7-a3a9-3c40713c08e1 | mp-768848 | Insert a Ar atom in the line between atoms at indices 23 and 1, and the inserted atom must be 2.46 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Tb4W6O24
_chemical_formula_sum "Tb4 W6 O24"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_group_... | data_image0
_chemical_formula_structural Tb4W6O24Ar
_chemical_formula_sum "Tb4 W6 O24 Ar1"
_cell_length_a 6.9584645
_cell_length_b 6.9584645
_cell_length_c 11.448500800000001
_cell_angle_alpha 79.13326657
_cell_angle_beta 79.13326657
_cell_angle_gamma 111.97316103
_space_... |
InsertBetweenAtomsAction | e16237d8-5cf3-4419-ae3b-5d98dd83259e | mp-2239931 | Insert a Er atom in the line between atoms at indices 7 and 2, and the inserted atom must be 0.56 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural MgMo3Se4S2
_chemical_formula_sum "Mg1 Mo3 Se4 S2"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_group_na... | data_image0
_chemical_formula_structural MgMo3Se4S2Er
_chemical_formula_sum "Mg1 Mo3 Se4 S2 Er1"
_cell_length_a 3.283263
_cell_length_b 3.28321277
_cell_length_c 36.17756637
_cell_angle_alpha 89.98550332
_cell_angle_beta 90.0
_cell_angle_gamma 120.00047585000002
_space_gr... |
InsertBetweenAtomsAction | d6036d0a-a18f-4f75-862d-7fdb06e2a1d7 | mp-1110608 | Insert a Si atom in the line between atoms at indices 9 and 5, and the inserted atom must be 3.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Rb2InAgF6
_chemical_formula_sum "Rb2 In1 Ag1 F6"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Rb2InAgF6Si
_chemical_formula_sum "Rb2 In1 Ag1 F6 Si1"
_cell_length_a 6.4396356
_cell_length_b 6.4396356
_cell_length_c 6.4396356
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
InsertBetweenAtomsAction | a0ee0540-68c7-48cd-96dc-5ab7ddc69d6d | mp-725609 | Insert a Th atom in the line between atoms at indices 4 and 8, and the inserted atom must be 2.52 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural C4N4O10
_chemical_formula_sum "C4 N4 O10"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_name_H... | data_image0
_chemical_formula_structural C4N4O10Th
_chemical_formula_sum "C4 N4 O10 Th1"
_cell_length_a 4.01762
_cell_length_b 9.1395961
_cell_length_c 10.21360428
_cell_angle_alpha 88.98519127
_cell_angle_beta 89.72633846
_cell_angle_gamma 87.11571146000001
_space_group_... |
InsertBetweenAtomsAction | c8a67835-6a5d-4a72-9806-e2ac11749e58 | mp-1246779 | Insert a N atom in the line between atoms at indices 11 and 13, and the inserted atom must be 6.38 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N13
_chemical_formula_sum "Ba10 Hf4 N13"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... |
InsertBetweenAtomsAction | e9057343-3cb1-4714-9f7c-b74bd1f70f96 | mp-560911 | Insert a Bh atom in the line between atoms at indices 59 and 84, and the inserted atom must be 3.27 angstrom from atom at 59 in the cif file. | data_image0
_chemical_formula_structural Mn12B28Br4O52
_chemical_formula_sum "Mn12 B28 Br4 O52"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_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 Mn12B28Br4O52Bh
_chemical_formula_sum "Mn12 B28 Br4 O52 Bh1"
_cell_length_a 8.785226
_cell_length_b 8.805237
_cell_length_c 12.45452
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | a917c537-9874-4502-b571-37c05b0bec2a | mp-1227709 | Insert a Eu atom in the line between atoms at indices 24 and 7, and the inserted atom must be 5.25 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Bi2P6Pb6O24
_chemical_formula_sum "Bi2 P6 Pb6 O24"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 109.421... | data_image0
_chemical_formula_structural Bi2P6Pb6O24Eu
_chemical_formula_sum "Bi2 P6 Pb6 O24 Eu1"
_cell_length_a 9.16329836
_cell_length_b 9.163298359999999
_cell_length_c 9.13296043
_cell_angle_alpha 70.48711050999998
_cell_angle_beta 70.48711050999998
_cell_angle_gamma 1... |
InsertBetweenAtomsAction | a9f95f62-77ca-4de1-911b-18559687f263 | mp-650121 | Insert a Og atom in the line between atoms at indices 3 and 41, and the inserted atom must be 6.57 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li12Se6O24
_chemical_formula_sum "Li12 Se6 O24"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_group_nam... | data_image0
_chemical_formula_structural Li12Se6O24Og
_chemical_formula_sum "Li12 Se6 O24 Og1"
_cell_length_a 8.634345
_cell_length_b 9.07239497
_cell_length_c 9.08747216
_cell_angle_alpha 92.87802271
_cell_angle_beta 113.42088352
_cell_angle_gamma 104.85194428
_space_gro... |
InsertBetweenAtomsAction | a54eecba-9cd0-4998-97c2-51214f900103 | mp-801544 | Insert a Rn atom in the line between atoms at indices 19 and 34, and the inserted atom must be 0.50 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural V2P4H16N4O16
_chemical_formula_sum "V2 P4 H16 N4 O16"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_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 V2P4H16N4O16Rn
_chemical_formula_sum "V2 P4 H16 N4 O16 Rn1"
_cell_length_a 5.811218
_cell_length_b 8.425524
_cell_length_c 8.425974
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | aeee5e41-d1ca-4e8c-a44a-6609c269b30c | mp-1194264 | Insert a Hf atom in the line between atoms at indices 0 and 15, and the inserted atom must be 0.71 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sc6Al16Ni7
_chemical_formula_sum "Sc6 Al16 Ni7"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Sc6Al16Ni7Hf
_chemical_formula_sum "Sc6 Al16 Ni7 Hf1"
_cell_length_a 8.53691573
_cell_length_b 8.53691573
_cell_length_c 8.53691573
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | 0a32d17e-b8b2-48d9-87f1-81d2d1db73a4 | mp-1192051 | Insert a Ne atom in the line between atoms at indices 12 and 11, and the inserted atom must be 4.16 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nd5Ni19
_chemical_formula_sum "Nd5 Ni19"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_name_H... | data_image0
_chemical_formula_structural Nd5Ni19Ne
_chemical_formula_sum "Nd5 Ni19 Ne1"
_cell_length_a 4.97905961
_cell_length_b 4.97906
_cell_length_c 16.36139454
_cell_angle_alpha 81.24794759999999
_cell_angle_beta 81.24794681
_cell_angle_gamma 59.99999743
_space_group_... |
InsertBetweenAtomsAction | fb9d18b9-836c-437d-a24b-8af166c01944 | mp-1212483 | Insert a Db atom in the line between atoms at indices 28 and 10, and the inserted atom must be 3.44 angstrom from atom at 28 in the cif file. | data_image0
_chemical_formula_structural Hg16P4H4N4O28
_chemical_formula_sum "Hg16 P4 H4 N4 O28"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Hg16P4H4N4O28Db
_chemical_formula_sum "Hg16 P4 H4 N4 O28 Db1"
_cell_length_a 6.12443421
_cell_length_b 8.318202
_cell_length_c 19.35441814
_cell_angle_alpha 90.0
_cell_angle_beta 91.12338898
_cell_angle_gamma 90.0
_space_group_name... |
InsertBetweenAtomsAction | 8af04a98-fb88-4100-a236-3bcd73a297c0 | mp-1193413 | Insert a Cd atom in the line between atoms at indices 3 and 2, and the inserted atom must be 2.69 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Sc2H6C6O12
_chemical_formula_sum "Sc2 H6 C6 O12"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051398
_... | data_image0
_chemical_formula_structural Sc2H6C6O12Cd
_chemical_formula_sum "Sc2 H6 C6 O12 Cd1"
_cell_length_a 7.24803859
_cell_length_b 7.24803859
_cell_length_c 7.24803788
_cell_angle_alpha 103.80513496000002
_cell_angle_beta 103.80513496000002
_cell_angle_gamma 103.8051... |
InsertBetweenAtomsAction | 816d920e-1463-4a25-9219-8cdba84ebf5d | mp-1288374 | Insert a Th atom in the line between atoms at indices 7 and 3, and the inserted atom must be 1.65 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li2V6O8
_chemical_formula_sum "Li2 V6 O8"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_space_g... | data_image0
_chemical_formula_structural Li2V6O8Th
_chemical_formula_sum "Li2 V6 O8 Th1"
_cell_length_a 5.29613539
_cell_length_b 6.036295529999999
_cell_length_c 5.30003472
_cell_angle_alpha 89.99997619
_cell_angle_beta 110.55590711999999
_cell_angle_gamma 89.99976383
_s... |
InsertBetweenAtomsAction | 593eb991-5b3c-4d06-a61d-89cd11fb0b3b | mp-1188903 | Insert a Kr atom in the line between atoms at indices 16 and 12, and the inserted atom must be 1.14 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Pt2Cl8O10
_chemical_formula_sum "Pt2 Cl8 O10"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_group_nam... | data_image0
_chemical_formula_structural Pt2Cl8O10Kr
_chemical_formula_sum "Pt2 Cl8 O10 Kr1"
_cell_length_a 6.72995708
_cell_length_b 6.72995708
_cell_length_c 11.18924611
_cell_angle_alpha 86.88463148
_cell_angle_beta 86.88463148
_cell_angle_gamma 106.93266609
_space_gro... |
InsertBetweenAtomsAction | 420163c4-3dd7-47b9-89ff-e29b755866b3 | mp-1078939 | Insert a Bh atom in the line between atoms at indices 1 and 9, and the inserted atom must be 0.86 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Mn2N2F6
_chemical_formula_sum "Mn2 N2 F6"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Mn2N2F6Bh
_chemical_formula_sum "Mn2 N2 F6 Bh1"
_cell_length_a 3.93874
_cell_length_b 5.671741
_cell_length_c 5.717897
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
InsertBetweenAtomsAction | 58899ec1-15ff-4a67-b31a-60b136c7bd43 | mp-1220278 | Insert a Nd atom in the line between atoms at indices 3 and 15, and the inserted atom must be 1.18 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Nd4Fe4Co12B3C
_chemical_formula_sum "Nd4 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_na... | data_image0
_chemical_formula_structural Nd4Fe4Co12B3CNd
_chemical_formula_sum "Nd5 Fe4 Co12 B3 C1"
_cell_length_a 5.11753671
_cell_length_b 5.11753671
_cell_length_c 13.469371
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000916999998
_space_group_... |
InsertBetweenAtomsAction | b1efe050-5b9e-4a0b-94de-4118e3cdeeca | mp-759506 | Insert a Rb atom in the line between atoms at indices 26 and 34, and the inserted atom must be 0.70 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Li4V2Cr2P8O28
_chemical_formula_sum "Li4 V2 Cr2 P8 O28"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051267
_... | data_image0
_chemical_formula_structural Li4V2Cr2P8O28Rb
_chemical_formula_sum "Li4 V2 Cr2 P8 O28 Rb1"
_cell_length_a 9.54961884
_cell_length_b 9.54903466
_cell_length_c 7.01796071
_cell_angle_alpha 99.44046031
_cell_angle_beta 99.45246676999999
_cell_angle_gamma 118.72051... |
InsertBetweenAtomsAction | ee1387c8-4960-4575-ad26-2793ccf24ea0 | mp-1305999 | Insert a Po atom in the line between atoms at indices 1 and 10, and the inserted atom must be 0.47 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Po
_chemical_formula_sum "Li3 Ti1 Ni4 O8 Po1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999... |
InsertBetweenAtomsAction | e43b3a13-7cfe-4d2b-862b-d0b78049e529 | mp-27868 | Insert a La atom in the line between atoms at indices 6 and 7, and the inserted atom must be 3.45 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural V2N2Cl8
_chemical_formula_sum "V2 N2 Cl8"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V2N2Cl8La
_chemical_formula_sum "V2 N2 Cl8 La1"
_cell_length_a 5.997518
_cell_length_b 7.67355423
_cell_length_c 8.21960348
_cell_angle_alpha 108.13733024
_cell_angle_beta 93.89048598
_cell_angle_gamma 112.8321924
_space_group_name... |
InsertBetweenAtomsAction | bfc1823e-bffc-46b4-a7d0-dcae96a5f43f | mp-1224356 | Insert a B atom in the line between atoms at indices 8 and 5, and the inserted atom must be 16.80 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Ge5Te4Se
_chemical_formula_sum "Ge5 Te4 Se1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.2626... | data_image0
_chemical_formula_structural Ge5Te4SeB
_chemical_formula_sum "Ge5 Te4 Se1 B1"
_cell_length_a 15.39442332
_cell_length_b 15.394423320000001
_cell_length_c 15.394423320000001
_cell_angle_alpha 164.30776993999996
_cell_angle_beta 164.30776994
_cell_angle_gamma 22.... |
InsertBetweenAtomsAction | f48960b1-1957-4b7b-b699-2509ab880629 | mp-756136 | Insert a Mn atom in the line between atoms at indices 22 and 16, and the inserted atom must be 3.16 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb4I16Mn
_chemical_formula_sum "Ca4 Pb4 I16 Mn1"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | defdc79e-4bee-44d4-b3da-cef8a6d999e9 | mp-849219 | Insert a Pt atom in the line between atoms at indices 9 and 15, and the inserted atom must be 0.46 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural V6O8F4
_chemical_formula_sum "V6 O8 F4"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural V6O8F4Pt
_chemical_formula_sum "V6 O8 F4 Pt1"
_cell_length_a 10.46643444
_cell_length_b 10.466434439999999
_cell_length_c 3.065376
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 143.4460713
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | bfcdeaa8-c9ef-4c36-9c1e-40cc47778df4 | mp-7492 | Insert a Gd atom in the line between atoms at indices 8 and 5, and the inserted atom must be 1.50 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural La2B2O6
_chemical_formula_sum "La2 B2 O6"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La2B2O6Gd
_chemical_formula_sum "La2 B2 O6 Gd1"
_cell_length_a 4.17942406
_cell_length_b 5.08865142
_cell_length_c 6.314355319999999
_cell_angle_alpha 90.0
_cell_angle_beta 107.68584388
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 58b6a8ff-8a3c-4f3b-ac94-8eb91fdedeb7 | mp-1233403 | Insert a Ir atom in the line between atoms at indices 19 and 6, and the inserted atom must be 3.47 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ba2MgNb6N2O14
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.15679119999999
... | data_image0
_chemical_formula_structural Ba2MgNb6N2O14Ir
_chemical_formula_sum "Ba2 Mg1 Nb6 N2 O14 Ir1"
_cell_length_a 9.27368937
_cell_length_b 10.90484996
_cell_length_c 3.96856148
_cell_angle_alpha 79.41574678
_cell_angle_beta 90.01147866
_cell_angle_gamma 89.1567911999... |
InsertBetweenAtomsAction | 3e2d7df5-9088-4724-953f-5e4da9d855b7 | mp-1223484 | Insert a Ca atom in the line between atoms at indices 32 and 1, and the inserted atom must be 1.00 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural K2V6Pb8O24
_chemical_formula_sum "K2 V6 Pb8 O24"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K2V6Pb8O24Ca
_chemical_formula_sum "K2 V6 Pb8 O24 Ca1"
_cell_length_a 10.34517358
_cell_length_b 10.34517358
_cell_length_c 7.540297
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999727999999
_space_group_nam... |
InsertBetweenAtomsAction | d2f993aa-1552-4bfc-a82e-b535199aa1c8 | mp-2452 | Insert a N atom in the line between atoms at indices 6 and 8, and the inserted atom must be 1.91 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural P4O10
_chemical_formula_sum "P4 O10"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name_H-M... | data_image0
_chemical_formula_structural P4O10N
_chemical_formula_sum "P4 O10 N1"
_cell_length_a 4.83501677
_cell_length_b 4.83501534
_cell_length_c 8.56186796
_cell_angle_alpha 99.5390988
_cell_angle_beta 99.53909892000001
_cell_angle_gamma 114.39856376
_space_group_name... |
InsertBetweenAtomsAction | 3e820e11-08c0-4045-86f7-7a8924bf81ab | mp-29817 | Insert a Os atom in the line between atoms at indices 67 and 38, and the inserted atom must be 3.99 angstrom from atom at 67 in the cif file. | data_image0
_chemical_formula_structural Ga8P16I72
_chemical_formula_sum "Ga8 P16 I72"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_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 Ga8P16I72Os
_chemical_formula_sum "Ga8 P16 I72 Os1"
_cell_length_a 11.478636
_cell_length_b 18.887677
_cell_length_c 21.713497
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | a2740c02-ed7a-4843-95b4-d6dd80931a89 | mp-777466 | Insert a Kr atom in the line between atoms at indices 6 and 1, and the inserted atom must be 4.09 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Li16Fe8F32
_chemical_formula_sum "Li16 Fe8 F32"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_group_na... | data_image0
_chemical_formula_structural Li16Fe8F32Kr
_chemical_formula_sum "Li16 Fe8 F32 Kr1"
_cell_length_a 9.65245569
_cell_length_b 9.65245569
_cell_length_c 9.65245569
_cell_angle_alpha 100.8440097
_cell_angle_beta 100.8440097
_cell_angle_gamma 128.58892083
_space_gr... |
InsertBetweenAtomsAction | d08b8638-82e5-4696-a619-7066fea8a2ca | mp-770799 | Insert a Os atom in the line between atoms at indices 11 and 15, and the inserted atom must be 2.82 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li10Nb2O10
_chemical_formula_sum "Li10 Nb2 O10"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
_spac... | data_image0
_chemical_formula_structural Li10Nb2O10Os
_chemical_formula_sum "Li10 Nb2 O10 Os1"
_cell_length_a 5.5080777
_cell_length_b 5.5080777
_cell_length_c 9.09201674
_cell_angle_alpha 82.46835197999998
_cell_angle_beta 82.46835197999998
_cell_angle_gamma 117.03627155
... |
InsertBetweenAtomsAction | ff51b13d-b692-4776-b5ec-1899d95677f4 | mp-1218785 | Insert a H atom in the line between atoms at indices 48 and 34, and the inserted atom must be 1.09 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_angle... | data_image0
_chemical_formula_structural Sr8Ca3NdTl2Cu8Pb2O28H
_chemical_formula_sum "Sr8 Ca3 Nd1 Tl2 Cu8 Pb2 O28 H1"
_cell_length_a 13.3986122
_cell_length_b 13.39814014
_cell_length_c 7.618955399999999
_cell_angle_alpha 73.48496824000001
_cell_angle_beta 73.47816135
_cell_a... |
InsertBetweenAtomsAction | 4f853e2f-ad8e-47f6-a024-83e608ed7513 | mp-1110792 | Insert a Rn atom in the line between atoms at indices 8 and 1, and the inserted atom must be 2.43 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na3InCl6
_chemical_formula_sum "Na3 In1 Cl6"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Na3InCl6Rn
_chemical_formula_sum "Na3 In1 Cl6 Rn1"
_cell_length_a 7.37474189
_cell_length_b 7.37474189
_cell_length_c 7.374741889999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
InsertBetweenAtomsAction | 51e6199d-e72f-4ce5-b3cb-6167fc11bc73 | mp-1221912 | Insert a Es atom in the line between atoms at indices 2 and 1, and the inserted atom must be 0.62 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Mn2CrGa3S8
_chemical_formula_sum "Mn2 Cr1 Ga3 S8"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.866044550000005
_s... | data_image0
_chemical_formula_structural Mn2CrGa3S8Es
_chemical_formula_sum "Mn2 Cr1 Ga3 S8 Es1"
_cell_length_a 12.591627
_cell_length_b 12.591627
_cell_length_c 6.476595429999999
_cell_angle_alpha 85.14436659
_cell_angle_beta 85.14436659
_cell_angle_gamma 16.8660445500000... |
InsertBetweenAtomsAction | 04748ce2-f2b1-48b2-9ec9-cd4aa1c7a9d0 | mp-2884 | Insert a P atom in the line between atoms at indices 11 and 13, and the inserted atom must be 1.15 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Cs4Mn6S8
_chemical_formula_sum "Cs4 Mn6 S8"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_group_n... | data_image0
_chemical_formula_structural Cs4Mn6S8P
_chemical_formula_sum "Cs4 Mn6 S8 P1"
_cell_length_a 6.08330977
_cell_length_b 9.652656439999998
_cell_length_c 9.65265607
_cell_angle_alpha 73.9593348
_cell_angle_beta 71.63250836
_cell_angle_gamma 71.63250777
_space_gro... |
InsertBetweenAtomsAction | f5ad5d86-56d6-45e5-92d9-e32947b1da02 | mp-558545 | Insert a Ce atom in the line between atoms at indices 35 and 18, and the inserted atom must be 2.66 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural C8S4N12Cl12
_chemical_formula_sum "C8 S4 N12 Cl12"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural C8S4N12Cl12Ce
_chemical_formula_sum "C8 S4 N12 Cl12 Ce1"
_cell_length_a 7.765921
_cell_length_b 8.326056
_cell_length_c 12.57591833
_cell_angle_alpha 84.22908205
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 5c67737b-b09f-4747-840e-63d3c0cf1f6d | mp-705680 | Insert a N atom in the line between atoms at indices 15 and 4, and the inserted atom must be 2.32 angstrom from atom at 15 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 La4Mo4O18N
_chemical_formula_sum "La4 Mo4 O18 N1"
_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 87.7630298899999... |
InsertBetweenAtomsAction | b393ae8d-8950-45b2-8dd5-18bb317681c9 | mp-25284 | Insert a Fr atom in the line between atoms at indices 19 and 3, and the inserted atom must be 4.48 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4Ni2O12
_chemical_formula_sum "Li2 Mn4 Ni2 O12"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_space_gr... | data_image0
_chemical_formula_structural Li2Mn4Ni2O12Fr
_chemical_formula_sum "Li2 Mn4 Ni2 O12 Fr1"
_cell_length_a 5.04900018
_cell_length_b 5.04906524
_cell_length_c 10.42357366
_cell_angle_alpha 86.33280131
_cell_angle_beta 93.66216847
_cell_angle_gamma 120.76071514
_sp... |
InsertBetweenAtomsAction | 47e5c5ac-fb34-419d-b3e0-72a1d181730d | mp-643263 | Insert a O atom in the line between atoms at indices 8 and 2, and the inserted atom must be 0.71 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na3VH6O7
_chemical_formula_sum "Na3 V1 H6 O7"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... | data_image0
_chemical_formula_structural Na3VH6O8
_chemical_formula_sum "Na3 V1 H6 O8"
_cell_length_a 5.58858274
_cell_length_b 5.58858274
_cell_length_c 5.588582330000001
_cell_angle_alpha 100.00373742
_cell_angle_beta 100.00373742
_cell_angle_gamma 100.00374030000002
_s... |
InsertBetweenAtomsAction | 2bad2771-82a4-4695-9b6d-6724f921eb0a | mp-697170 | Insert a U atom in the line between atoms at indices 27 and 38, and the inserted atom must be 1.72 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Mg4H24Br8N8
_chemical_formula_sum "Mg4 H24 Br8 N8"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_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 Mg4H24Br8N8U
_chemical_formula_sum "Mg4 H24 Br8 N8 U1"
_cell_length_a 6.012089
_cell_length_b 8.046786
_cell_length_c 12.006075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | ae8262c0-7fa6-417e-82c4-01b5c5487a1f | mp-1193845 | Insert a Ir atom in the line between atoms at indices 16 and 4, and the inserted atom must be 5.00 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Ho6Al7Cu16
_chemical_formula_sum "Ho6 Al7 Cu16"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural Ho6Al7Cu16Ir
_chemical_formula_sum "Ho6 Al7 Cu16 Ir1"
_cell_length_a 8.70515623
_cell_length_b 8.70515623
_cell_length_c 8.70515623
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
InsertBetweenAtomsAction | c2708b92-4167-41d6-9f6c-78f31b2a527f | mp-1106174 | Insert a Lu atom in the line between atoms at indices 2 and 9, and the inserted atom must be 5.60 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Tb14Rh6
_chemical_formula_sum "Tb14 Rh6"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.00095888
_sp... | data_image0
_chemical_formula_structural Tb14Rh6Lu
_chemical_formula_sum "Tb14 Rh6 Lu1"
_cell_length_a 6.19766051
_cell_length_b 9.79902498
_cell_length_c 9.798996650000001
_cell_angle_alpha 120.00022491999995
_cell_angle_beta 90.00107083000002
_cell_angle_gamma 90.0009588... |
InsertBetweenAtomsAction | 6d1f7fa5-3455-463a-b678-f7800504c437 | mp-16431 | Insert a Tl atom in the line between atoms at indices 3 and 12, and the inserted atom must be 1.87 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural NdFe4P12
_chemical_formula_sum "Nd1 Fe4 P12"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_group_nam... | data_image0
_chemical_formula_structural NdFe4P12Tl
_chemical_formula_sum "Nd1 Fe4 P12 Tl1"
_cell_length_a 6.73505209
_cell_length_b 6.73505184
_cell_length_c 6.73505201
_cell_angle_alpha 109.47122118
_cell_angle_beta 109.47122044
_cell_angle_gamma 109.47122162
_space_gro... |
InsertBetweenAtomsAction | 808f2c90-d4b9-46b4-ac25-1c68c00091a0 | mp-1236250 | Insert a Bi atom in the line between atoms at indices 13 and 14, and the inserted atom must be 0.62 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural LiCo5SbO8
_chemical_formula_sum "Li1 Co5 Sb1 O8"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.95931534
_s... | data_image0
_chemical_formula_structural LiCo5SbO8Bi
_chemical_formula_sum "Li1 Co5 Sb1 O8 Bi1"
_cell_length_a 6.32081318
_cell_length_b 5.95944951
_cell_length_c 5.958533000000001
_cell_angle_alpha 60.00407588000001
_cell_angle_beta 61.87965133
_cell_angle_gamma 61.959315... |
InsertBetweenAtomsAction | c6476348-22e9-4f9f-8804-4a574f72dda6 | mp-675818 | Insert a Np atom in the line between atoms at indices 11 and 4, and the inserted atom must be 1.40 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li11TiAs5
_chemical_formula_sum "Li11 Ti1 As5"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2593039... | data_image0
_chemical_formula_structural Li11TiAs5Np
_chemical_formula_sum "Li11 Ti1 As5 Np1"
_cell_length_a 7.42247606
_cell_length_b 7.42247606
_cell_length_c 10.601601099999998
_cell_angle_alpha 63.42659419999999
_cell_angle_beta 63.42659419999999
_cell_angle_gamma 33.2... |
InsertBetweenAtomsAction | 94adb428-0c76-4dc3-9191-2c8c18a7886a | mp-1043721 | Insert a As atom in the line between atoms at indices 20 and 6, and the inserted atom must be 2.49 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20
_chemical_formula_sum "Mg4 Sn4 Bi4 O20"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Sn4Bi4O20As
_chemical_formula_sum "Mg4 Sn4 Bi4 O20 As1"
_cell_length_a 11.054845
_cell_length_b 5.442748
_cell_length_c 8.7199251
_cell_angle_alpha 68.83335382
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | ea66ebd9-5f55-40b7-94f6-e49264733918 | mp-1180529 | Insert a Pb atom in the line between atoms at indices 1 and 28, and the inserted atom must be 2.21 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O20
_chemical_formula_sum "Li4 Mn4 P4 O20"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.52584848
... | data_image0
_chemical_formula_structural Li4Mn4P4O20Pb
_chemical_formula_sum "Li4 Mn4 P4 O20 Pb1"
_cell_length_a 5.17989019
_cell_length_b 6.93803572
_cell_length_c 10.275966780000001
_cell_angle_alpha 76.82840957
_cell_angle_beta 98.12029334000002
_cell_angle_gamma 72.525... |
InsertBetweenAtomsAction | 356fbb4c-9bbd-46d5-8b98-0d747c7236aa | mp-1226424 | Insert a Rn atom in the line between atoms at indices 25 and 24, and the inserted atom must be 0.78 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Cs6Er10P12S48
_chemical_formula_sum "Cs6 Er10 P12 S48"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
_space... | data_image0
_chemical_formula_structural Cs6Er10P12S48Rn
_chemical_formula_sum "Cs6 Er10 P12 S48 Rn1"
_cell_length_a 10.39362307
_cell_length_b 10.39362307
_cell_length_c 20.86577793
_cell_angle_alpha 79.67882168
_cell_angle_beta 79.67882168
_cell_angle_gamma 77.98851011
... |
InsertBetweenAtomsAction | 87b771ef-0dcc-4095-b43e-a80ab6d550f7 | mp-766117 | Insert a Sn atom in the line between atoms at indices 32 and 25, and the inserted atom must be 2.35 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Sn16N16O8
_chemical_formula_sum "Sn16 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_space... | data_image0
_chemical_formula_structural Sn16N16O8Sn
_chemical_formula_sum "Sn17 N16 O8"
_cell_length_a 8.851814
_cell_length_b 8.8536901
_cell_length_c 8.85845561
_cell_angle_alpha 109.55405563999999
_cell_angle_beta 109.51343367000001
_cell_angle_gamma 109.21073575
_spa... |
InsertBetweenAtomsAction | 5bfb672b-0f5b-4a55-a736-5f5c47a5d750 | mp-1189274 | Insert a Y atom in the line between atoms at indices 4 and 10, and the inserted atom must be 1.36 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Er12Ru4
_chemical_formula_sum "Er12 Ru4"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT... | data_image0
_chemical_formula_structural Er12Ru4Y
_chemical_formula_sum "Er12 Ru4 Y1"
_cell_length_a 6.236655
_cell_length_b 7.272444
_cell_length_c 9.101117
_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 | 62f2e76c-bae8-44ce-80bd-c36931029e5f | mp-29957 | Insert a Zr atom in the line between atoms at indices 3 and 30, and the inserted atom must be 1.62 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Zr15Te18
_chemical_formula_sum "Zr15 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Zr15Te18Zr
_chemical_formula_sum "Zr16 Te18"
_cell_length_a 11.82219029
_cell_length_b 11.822189119999999
_cell_length_c 7.14790746
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999442
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | c2ccf629-2fab-434e-a488-e436a5c280bc | mp-1102040 | Insert a V atom in the line between atoms at indices 4 and 6, and the inserted atom must be 0.79 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ca4Sn4Pt4
_chemical_formula_sum "Ca4 Sn4 Pt4"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca4Sn4Pt4V
_chemical_formula_sum "Ca4 Sn4 Pt4 V1"
_cell_length_a 4.62387607
_cell_length_b 7.37953147
_cell_length_c 7.90536517
_cell_angle_alpha 90.00431855
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 0409273a-6e65-4621-a11e-9c94ac404ede | mp-1220018 | Insert a Rh atom in the line between atoms at indices 8 and 1, and the inserted atom must be 1.87 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Pr2Mn17C2
_chemical_formula_sum "Pr2 Mn17 C2"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.31488702
... | data_image0
_chemical_formula_structural Pr2Mn17C2Rh
_chemical_formula_sum "Pr2 Mn17 C2 Rh1"
_cell_length_a 6.50467078
_cell_length_b 6.504670779999999
_cell_length_c 6.48206035
_cell_angle_alpha 83.62653849000002
_cell_angle_beta 83.62653849000002
_cell_angle_gamma 84.314... |
InsertBetweenAtomsAction | f66dfb6c-6477-4086-a9ec-8374a890977d | mp-1228744 | Insert a Re atom in the line between atoms at indices 45 and 59, and the inserted atom must be 2.22 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Ba6V8P12O48
_chemical_formula_sum "Ba6 V8 P12 O48"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba6V8P12O48Re
_chemical_formula_sum "Ba6 V8 P12 O48 Re1"
_cell_length_a 10.082441
_cell_length_b 10.050738
_cell_length_c 10.07723152
_cell_angle_alpha 89.82967992
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 4aabaad8-6639-4c63-b5ba-5feb291d8a5a | mp-760194 | Insert a Ta atom in the line between atoms at indices 45 and 46, and the inserted atom must be 3.03 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Li8V8F48
_chemical_formula_sum "Li8 V8 F48"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Li8V8F48Ta
_chemical_formula_sum "Li8 V8 F48 Ta1"
_cell_length_a 9.38823
_cell_length_b 9.211635
_cell_length_c 15.62011393
_cell_angle_alpha 54.25570067999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | b2ad3555-fc88-4026-a217-86da413ae50b | mp-1181679 | Insert a C atom in the line between atoms at indices 42 and 17, and the inserted atom must be 7.99 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Ga8Si8C32N8
_chemical_formula_sum "Ga8 Si8 C32 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.4... | data_image0
_chemical_formula_structural Ga8Si8C32N8C
_chemical_formula_sum "Ga8 Si8 C33 N8"
_cell_length_a 10.01110904
_cell_length_b 10.01110904
_cell_length_c 16.697649989999995
_cell_angle_alpha 71.56542631999999
_cell_angle_beta 71.56542631999999
_cell_angle_gamma 58.... |
InsertBetweenAtomsAction | 7268aaf7-b460-4950-8d6c-2384ae9351c0 | mp-1101024 | Insert a Ta atom in the line between atoms at indices 19 and 20, and the inserted atom must be 6.13 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ti4Zn8O16
_chemical_formula_sum "Ti4 Zn8 O16"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 Ti4Zn8O16Ta
_chemical_formula_sum "Ti4 Zn8 O16 Ta1"
_cell_length_a 6.074403
_cell_length_b 6.074403
_cell_length_c 12.834414
_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 | cfcf3b22-9f47-4497-9f8f-068c90ba9ca7 | mp-1518110 | Insert a Og atom in the line between atoms at indices 6 and 5, and the inserted atom must be 2.59 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural SrEuYCoO6
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... | data_image0
_chemical_formula_structural SrEuYCoO6Og
_chemical_formula_sum "Sr1 Eu1 Y1 Co1 O6 Og1"
_cell_length_a 5.70085714
_cell_length_b 5.70085714
_cell_length_c 5.700857139999999
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
InsertBetweenAtomsAction | ded47f0b-f041-4665-9eb4-34e89bd00f93 | mp-770874 | Insert a Rb atom in the line between atoms at indices 32 and 7, and the inserted atom must be 3.09 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32Rb
_chemical_formula_sum "Na12 Co4 P2 C8 O32 Rb1"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 5... |
InsertBetweenAtomsAction | 0c02921a-26d5-4a17-afbd-774f542b3704 | mp-29082 | Insert a Nb atom in the line between atoms at indices 12 and 17, and the inserted atom must be 0.82 angstrom from atom at 12 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 Ba10Cr2N10Nb
_chemical_formula_sum "Ba10 Cr2 N10 Nb1"
_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 | 038d8fa7-2031-437a-9ad4-276eeef2ea68 | mp-1212423 | Insert a C atom in the line between atoms at indices 6 and 8, and the inserted atom must be 2.25 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ho12In3Fe2
_chemical_formula_sum "Ho12 In3 Fe2"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_group_... | data_image0
_chemical_formula_structural Ho12In3Fe2C
_chemical_formula_sum "Ho12 In3 Fe2 C1"
_cell_length_a 8.42112116
_cell_length_b 8.42112179
_cell_length_c 8.42111934
_cell_angle_alpha 110.11209296
_cell_angle_beta 110.11212551
_cell_angle_gamma 108.19690694
_space_gr... |
InsertBetweenAtomsAction | 40fe2510-1773-4b27-9238-a0af49971f6f | mp-1201334 | Insert a Np atom in the line between atoms at indices 24 and 17, and the inserted atom must be 2.73 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 NiH20PdC4N4O12Np
_chemical_formula_sum "Ni1 H20 Pd1 C4 N4 O12 Np1"
_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 | 4383d9f4-6089-4e39-a9fc-114af06e1123 | mp-698325 | Insert a W atom in the line between atoms at indices 25 and 9, and the inserted atom must be 0.69 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ba4H16C12O24
_chemical_formula_sum "Ba4 H16 C12 O24"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.07982... | data_image0
_chemical_formula_structural Ba4H16C12O24W
_chemical_formula_sum "Ba4 H16 C12 O24 W1"
_cell_length_a 10.71447654
_cell_length_b 10.71447654
_cell_length_c 10.71447654
_cell_angle_alpha 96.37232983999999
_cell_angle_beta 96.37232983999999
_cell_angle_gamma 141.0... |
InsertBetweenAtomsAction | 010908fa-0c4d-4dd2-a313-facbe3b53f1c | mp-1031354 | Insert a Sb atom in the line between atoms at indices 4 and 12, and the inserted atom must be 1.83 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Mg6TiCO8
_chemical_formula_sum "Mg6 Ti1 C1 O8"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_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 Mg6TiCO8Sb
_chemical_formula_sum "Mg6 Ti1 C1 O8 Sb1"
_cell_length_a 9.12217365
_cell_length_b 4.17574505
_cell_length_c 4.17574505
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | f5d82846-64c8-46f7-94ae-0363a9ab7971 | mp-532718 | Insert a U atom in the line between atoms at indices 6 and 11, and the inserted atom must be 1.93 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Ca6Nd6Mn12O36
_chemical_formula_sum "Ca6 Nd6 Mn12 O36"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_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 Ca6Nd6Mn12O36U
_chemical_formula_sum "Ca6 Nd6 Mn12 O36 U1"
_cell_length_a 16.297216
_cell_length_b 5.473793
_cell_length_c 7.702508
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | b03043cc-8ffc-4af3-afb8-dfe59f4fd118 | mp-1212504 | Insert a K atom in the line between atoms at indices 79 and 25, and the inserted atom must be 2.25 angstrom from atom at 79 in the cif file. | data_image0
_chemical_formula_structural Nd8P12H20W4O36
_chemical_formula_sum "Nd8 P12 H20 W4 O36"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Nd8P12H20W4O36K
_chemical_formula_sum "Nd8 P12 H20 W4 O36 K1"
_cell_length_a 8.81237
_cell_length_b 9.859124
_cell_length_c 13.547116570000002
_cell_angle_alpha 64.29207759
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
InsertBetweenAtomsAction | 9a782c88-f2d4-4fdd-a91d-df54b7318b41 | mp-1194285 | Insert a Sr atom in the line between atoms at indices 19 and 3, and the inserted atom must be 0.44 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Lu4Mo4Br4O16
_chemical_formula_sum "Lu4 Mo4 Br4 O16"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557
_spa... | data_image0
_chemical_formula_structural Lu4Mo4Br4O16Sr
_chemical_formula_sum "Lu4 Mo4 Br4 O16 Sr1"
_cell_length_a 6.937912
_cell_length_b 7.20254013
_cell_length_c 10.77698893
_cell_angle_alpha 102.83320016000002
_cell_angle_beta 107.80925864
_cell_angle_gamma 95.42992557... |
InsertBetweenAtomsAction | edd9f0db-a456-4727-8783-50fe72f4e4a0 | mp-980108 | Insert a Bi atom in the line between atoms at indices 1 and 9, and the inserted atom must be 0.40 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12
_chemical_formula_sum "Sm4 Mg2 Ir2 O12"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sm4Mg2Ir2O12Bi
_chemical_formula_sum "Sm4 Mg2 Ir2 O12 Bi1"
_cell_length_a 5.760194
_cell_length_b 5.428014
_cell_length_c 9.48535488
_cell_angle_alpha 55.3260366
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 9564eb7f-0fb2-4e47-932e-641cdb64c3e7 | mp-1046973 | Insert a Md atom in the line between atoms at indices 12 and 21, and the inserted atom must be 2.58 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16
_chemical_formula_sum "Nb4 Zn4 Ni2 O16"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_space_grou... | data_image0
_chemical_formula_structural Nb4Zn4Ni2O16Md
_chemical_formula_sum "Nb4 Zn4 Ni2 O16 Md1"
_cell_length_a 10.09959759
_cell_length_b 10.09959759
_cell_length_c 5.258447
_cell_angle_alpha 89.67078171
_cell_angle_beta 89.67078171
_cell_angle_gamma 34.15230613
_spac... |
InsertBetweenAtomsAction | 885a2091-1680-47d3-b14c-9a9407e5951b | mp-761271 | Insert a F atom in the line between atoms at indices 29 and 5, and the inserted atom must be 3.35 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Li8V4O4F16
_chemical_formula_sum "Li8 V4 O4 F16"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... | data_image0
_chemical_formula_structural Li8V4O4F17
_chemical_formula_sum "Li8 V4 O4 F17"
_cell_length_a 5.048083
_cell_length_b 7.22002559
_cell_length_c 10.34605698
_cell_angle_alpha 108.97466729
_cell_angle_beta 89.78271863999998
_cell_angle_gamma 91.13500279
_space_gr... |
InsertBetweenAtomsAction | f9a6a43c-72d7-4b3b-85a5-ddfe23bd1ef2 | mp-1219571 | Insert a Ds atom in the line between atoms at indices 4 and 12, and the inserted atom must be 4.30 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12Ds
_chemical_formula_sum "Rb2 Mg2 Cr2 F12 Ds1"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_sp... |
InsertBetweenAtomsAction | 36519bbf-b559-4c5e-b232-fbff9f78f95a | mp-685281 | Insert a Pm atom in the line between atoms at indices 9 and 13, and the inserted atom must be 1.62 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6Pm
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Pm1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
InsertBetweenAtomsAction | 046bd264-ac6d-443d-a383-7e28e4c00748 | mp-759040 | Insert a Lv atom in the line between atoms at indices 24 and 21, and the inserted atom must be 3.31 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Li2Mn4P10O30
_chemical_formula_sum "Li2 Mn4 P10 O30"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2Mn4P10O30Lv
_chemical_formula_sum "Li2 Mn4 P10 O30 Lv1"
_cell_length_a 13.185954
_cell_length_b 5.174124
_cell_length_c 8.74285195
_cell_angle_alpha 76.53825297
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 571c401e-6585-437c-ba21-3da15d38e74d | mp-510056 | Insert a La atom in the line between atoms at indices 6 and 7, and the inserted atom must be 4.13 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural CaV4Cu3O12
_chemical_formula_sum "Ca1 V4 Cu3 O12"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural CaV4Cu3O12La
_chemical_formula_sum "Ca1 V4 Cu3 O12 La1"
_cell_length_a 6.41600809
_cell_length_b 6.41600809
_cell_length_c 6.41600809
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
InsertBetweenAtomsAction | 5170d91c-77cd-4660-8fdf-d9b15107c186 | mp-556233 | Insert a Pt atom in the line between atoms at indices 2 and 3, and the inserted atom must be 3.67 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural KAs4ClO6
_chemical_formula_sum "K1 As4 Cl1 O6"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural KAs4ClO6Pt
_chemical_formula_sum "K1 As4 Cl1 O6 Pt1"
_cell_length_a 5.25328503
_cell_length_b 5.25328503
_cell_length_c 8.94578662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001252000001
_space_group_name_... |
InsertBetweenAtomsAction | ba5b1662-7461-4a82-bbec-c3250a1fdeed | mp-753289 | Insert a Sc atom in the line between atoms at indices 12 and 23, and the inserted atom must be 5.58 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li4V4F20
_chemical_formula_sum "Li4 V4 F20"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 Li4V4F20Sc
_chemical_formula_sum "Li4 V4 F20 Sc1"
_cell_length_a 5.277474
_cell_length_b 6.019728
_cell_length_c 12.778571
_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 | ee09e50a-fd9e-4f5f-b206-1b61f74cbbd7 | mp-18612 | Insert a Ba atom in the line between atoms at indices 14 and 22, and the inserted atom must be 4.47 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Rb8Mo4S16
_chemical_formula_sum "Rb8 Mo4 S16"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_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 Rb8Mo4S16Ba
_chemical_formula_sum "Rb8 Mo4 S16 Ba1"
_cell_length_a 7.06149462
_cell_length_b 9.76420902
_cell_length_c 12.53190343
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | f8b2860b-9265-4e57-a70b-1d5346df73d5 | mp-27623 | Insert a Lv atom in the line between atoms at indices 9 and 30, and the inserted atom must be 2.22 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na24Pb4O16
_chemical_formula_sum "Na24 Pb4 O16"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
... | data_image0
_chemical_formula_structural Na24Pb4O16Lv
_chemical_formula_sum "Na24 Pb4 O16 Lv1"
_cell_length_a 9.78566964
_cell_length_b 9.785669640000002
_cell_length_c 9.78566964
_cell_angle_alpha 109.47122062999999
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.4712... |
InsertBetweenAtomsAction | 0be861c6-16ff-4bf5-887b-0f85847b149e | mp-1226129 | Insert a Cs atom in the line between atoms at indices 13 and 6, and the inserted atom must be 3.36 angstrom from atom at 13 in the cif file. | data_image0
_chemical_formula_structural Eu2Ga4Ge8
_chemical_formula_sum "Eu2 Ga4 Ge8"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Eu2Ga4Ge8Cs
_chemical_formula_sum "Eu2 Ga4 Ge8 Cs1"
_cell_length_a 5.9707076
_cell_length_b 5.9707076
_cell_length_c 13.026865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87322931
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 6f7394db-6603-452f-8065-fad2f45f2f5c | mp-557908 | Insert a Mg atom in the line between atoms at indices 15 and 25, and the inserted atom must be 0.38 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural As2H10C2O2F12
_chemical_formula_sum "As2 H10 C2 O2 F12"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural As2H10C2O2F12Mg
_chemical_formula_sum "As2 H10 C2 O2 F12 Mg1"
_cell_length_a 7.184076
_cell_length_b 5.027073
_cell_length_c 8.786539
_cell_angle_alpha 82.24691323
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 3cdccb5e-a5c8-4e84-90bf-84acff3758eb | mp-20673 | Insert a Rh atom in the line between atoms at indices 5 and 9, and the inserted atom must be 1.97 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural MgFe6Ge6
_chemical_formula_sum "Mg1 Fe6 Ge6"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
_space... | data_image0
_chemical_formula_structural MgFe6Ge6Rh
_chemical_formula_sum "Mg1 Fe6 Ge6 Rh1"
_cell_length_a 5.04725081
_cell_length_b 5.04725561
_cell_length_c 8.18325318
_cell_angle_alpha 90.00000679000001
_cell_angle_beta 89.99998393
_cell_angle_gamma 119.99769413000001
... |
InsertBetweenAtomsAction | 9d6171e6-e8ee-437b-a395-18fa1079c8bf | mp-758878 | Insert a Po atom in the line between atoms at indices 5 and 21, and the inserted atom must be 2.35 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li3Fe8O3F13
_chemical_formula_sum "Li3 Fe8 O3 F13"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129999996... | data_image0
_chemical_formula_structural Li3Fe8O3F13Po
_chemical_formula_sum "Li3 Fe8 O3 F13 Po1"
_cell_length_a 6.31150868
_cell_length_b 6.31150868
_cell_length_c 10.450769760000002
_cell_angle_alpha 72.02306054
_cell_angle_beta 72.02306054
_cell_angle_gamma 59.370140129... |
InsertBetweenAtomsAction | d7532319-be3d-44de-a79c-4d138e9013b1 | mp-757738 | Insert a Ba atom in the line between atoms at indices 16 and 23, and the inserted atom must be 7.28 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Fe19Co5O32
_chemical_formula_sum "Fe19 Co5 O32"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89.91677... | data_image0
_chemical_formula_structural Fe19Co5O32Ba
_chemical_formula_sum "Fe19 Co5 O32 Ba1"
_cell_length_a 8.52149173
_cell_length_b 8.521491729999997
_cell_length_c 10.391043419999999
_cell_angle_alpha 66.16597597
_cell_angle_beta 66.16597596999999
_cell_angle_gamma 89... |
InsertBetweenAtomsAction | 4f46dcb5-f140-4cc7-989a-609578f43f48 | mp-560175 | Insert a Nd atom in the line between atoms at indices 10 and 18, and the inserted atom must be 2.80 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na8Th2Mo8O32
_chemical_formula_sum "Na8 Th2 Mo8 O32"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
_spac... | data_image0
_chemical_formula_structural Na8Th2Mo8O32Nd
_chemical_formula_sum "Na8 Th2 Mo8 O32 Nd1"
_cell_length_a 10.18177095
_cell_length_b 10.18177095
_cell_length_c 10.18177095
_cell_angle_alpha 110.81801909
_cell_angle_beta 110.81801909
_cell_angle_gamma 106.80995467
... |
InsertBetweenAtomsAction | 8da3e340-f260-4119-a685-7aa7daaf52b5 | mp-779589 | Insert a W atom in the line between atoms at indices 34 and 5, and the inserted atom must be 7.17 angstrom from atom at 34 in the cif file. | data_image0
_chemical_formula_structural Na12Sb20O56
_chemical_formula_sum "Na12 Sb20 O56"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 Na12Sb20O56W
_chemical_formula_sum "Na12 Sb20 O56 W1"
_cell_length_a 7.26747
_cell_length_b 7.589262
_cell_length_c 24.033403
_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 | bb9d1dd4-2483-4ed7-988f-5cb490e414a7 | mp-26941 | Insert a Lu atom in the line between atoms at indices 27 and 4, and the inserted atom must be 0.53 angstrom from atom at 27 in the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Lu
_chemical_formula_sum "Li4 Mn4 P4 O16 Lu1"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_s... |
InsertBetweenAtomsAction | ec1c598b-f76d-4d0d-bd18-77da7ecacfec | mp-558119 | Insert a At atom in the line between atoms at indices 74 and 41, and the inserted atom must be 3.30 angstrom from atom at 74 in the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44At
_chemical_formula_sum "Lu16 Mo16 O44 At1"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 519af6c2-5e20-41b2-af9c-0f5799da554e | mp-4344 | Insert a Pm atom in the line between atoms at indices 10 and 5, and the inserted atom must be 2.03 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Ho2Ta2O8
_chemical_formula_sum "Ho2 Ta2 O8"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space_group... | data_image0
_chemical_formula_structural Ho2Ta2O8Pm
_chemical_formula_sum "Ho2 Ta2 O8 Pm1"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space... |
InsertBetweenAtomsAction | 29a76fdb-6dc6-46a4-985a-277e93b0091f | mp-1206879 | Insert a Dy atom in the line between atoms at indices 1 and 9, and the inserted atom must be 3.37 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6Dy
_chemical_formula_sum "K3 Au1 F6 Dy1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_spa... |
InsertBetweenAtomsAction | 41d88b61-3e44-4d40-bd8f-615350f5dc6f | mp-1173626 | Insert a O atom in the line between atoms at indices 3 and 0, and the inserted atom must be 2.75 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O11
_chemical_formula_sum "Nd4 C2 O11"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | b82f0be2-19af-4ec2-9594-b70605698183 | mp-532626 | Insert a Zr atom in the line between atoms at indices 58 and 59, and the inserted atom must be 7.50 angstrom from atom at 58 in the cif file. | data_image0
_chemical_formula_structural NdAl6Si30N45O3
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
_spac... | data_image0
_chemical_formula_structural NdAl6Si30N45O3Zr
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3 Zr1"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
... |
InsertBetweenAtomsAction | c0c08401-6391-455f-aadf-31157c1fdf00 | mp-774947 | Insert a Xe atom in the line between atoms at indices 25 and 47, and the inserted atom must be 7.63 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co14O36
_chemical_formula_sum "Li8 Ti4 Co14 O36"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_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 Li8Ti4Co14O36Xe
_chemical_formula_sum "Li8 Ti4 Co14 O36 Xe1"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3e0edc6e-0a5b-4831-9f25-04c7fa2dae33 | mp-1112428 | Insert a S atom in the line between atoms at indices 9 and 6, and the inserted atom must be 0.56 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6S
_chemical_formula_sum "K2 Eu1 Au1 Cl6 S1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
... |
InsertBetweenAtomsAction | 0fde0838-538e-461b-8851-8760bfc72e2e | mp-1246630 | Insert a Cr atom in the line between atoms at indices 23 and 5, and the inserted atom must be 1.72 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural Ca14Pt2N12
_chemical_formula_sum "Ca14 Pt2 N12"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_group_nam... | data_image0
_chemical_formula_structural Ca14Pt2N12Cr
_chemical_formula_sum "Ca14 Pt2 N12 Cr1"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_gro... |
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