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 | 0f6f11e9-8c21-4fcd-b27b-2f84326567e2 | mp-26100 | Insert a Fe atom in the line between atoms at indices 44 and 16, and the inserted atom must be 2.97 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Bi8P12O48
_chemical_formula_sum "Bi8 P12 O48"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Bi8P12O48Fe
_chemical_formula_sum "Bi8 P12 O48 Fe1"
_cell_length_a 9.120766
_cell_length_b 9.141018
_cell_length_c 15.47386341
_cell_angle_alpha 54.48873889
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | afb663cc-9987-4acc-bf0d-f3a611bf0cd5 | mp-752777 | Insert a Tl atom in the line between atoms at indices 5 and 1, and the inserted atom must be 1.85 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Li4Fe3CoO8
_chemical_formula_sum "Li4 Fe3 Co1 O8"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.330730630000005
... | data_image0
_chemical_formula_structural Li4Fe3CoO8Tl
_chemical_formula_sum "Li4 Fe3 Co1 O8 Tl1"
_cell_length_a 5.95231481
_cell_length_b 5.952314810000001
_cell_length_c 5.09858763
_cell_angle_alpha 73.25624736
_cell_angle_beta 73.25624736
_cell_angle_gamma 59.33073063000... |
InsertBetweenAtomsAction | 5d0ef9f5-ff99-4570-9a82-c305bd022d71 | mp-1177332 | Insert a Lr atom in the line between atoms at indices 3 and 4, and the inserted atom must be 1.92 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Li4MnFe3B4O12
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463066
_... | data_image0
_chemical_formula_structural Li4MnFe3B4O12Lr
_chemical_formula_sum "Li4 Mn1 Fe3 B4 O12 Lr1"
_cell_length_a 5.209459
_cell_length_b 5.21715111
_cell_length_c 10.40281557
_cell_angle_alpha 90.67404247999998
_cell_angle_beta 91.00879627
_cell_angle_gamma 119.74463... |
InsertBetweenAtomsAction | e70af587-b82f-4d90-97d6-6401744c1a1f | mp-1516486 | Insert a S atom in the line between atoms at indices 8 and 9, and the inserted atom must be 2.80 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural SrNdNiBiO6
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.0... | data_image0
_chemical_formula_structural SrNdNiBiO6S
_chemical_formula_sum "Sr1 Nd1 Ni1 Bi1 O6 S1"
_cell_length_a 5.77449881
_cell_length_b 5.774498810000001
_cell_length_c 5.77449881
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 4208f630-9895-46dd-8741-eddef9eccd0c | mp-9481 | Insert a No atom in the line between atoms at indices 3 and 11, and the inserted atom must be 0.50 angstrom from atom at 3 in the cif file. | data_image0
_chemical_formula_structural Tc4S8
_chemical_formula_sum "Tc4 S8"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_name_H-... | data_image0
_chemical_formula_structural Tc4S8No
_chemical_formula_sum "Tc4 S8 No1"
_cell_length_a 6.38134449
_cell_length_b 6.48675849
_cell_length_c 6.95590854
_cell_angle_alpha 65.62866346
_cell_angle_beta 76.93457244
_cell_angle_gamma 61.067347579999996
_space_group_n... |
InsertBetweenAtomsAction | f445ece7-ecbd-4eab-a1dd-3c7a02e94153 | mp-1346690 | Insert a Cs atom in the line between atoms at indices 0 and 7, and the inserted atom must be 2.25 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mg2Sn2P4O14
_chemical_formula_sum "Mg2 Sn2 P4 O14"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_group_nam... | data_image0
_chemical_formula_structural Mg2Sn2P4O14Cs
_chemical_formula_sum "Mg2 Sn2 P4 O14 Cs1"
_cell_length_a 6.72597
_cell_length_b 7.04770682
_cell_length_c 7.12831135
_cell_angle_alpha 75.45766706
_cell_angle_beta 63.34739348
_cell_angle_gamma 80.09216731
_space_gro... |
InsertBetweenAtomsAction | 6629a020-4fee-4e41-8511-985fa15526c1 | mp-1191000 | Insert a Ac atom in the line between atoms at indices 12 and 15, and the inserted atom must be 3.37 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Eu6Si4Ni12
_chemical_formula_sum "Eu6 Si4 Ni12"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Eu6Si4Ni12Ac
_chemical_formula_sum "Eu6 Si4 Ni12 Ac1"
_cell_length_a 7.69921179
_cell_length_b 7.69921179
_cell_length_c 7.69921179
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_... |
InsertBetweenAtomsAction | 31fb4ab2-9249-4e6a-809b-b98cdb9d4e8f | mp-1102507 | Insert a Si atom in the line between atoms at indices 8 and 10, and the inserted atom must be 1.32 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Nd4Mn8
_chemical_formula_sum "Nd4 Mn8"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Nd4Mn8Si
_chemical_formula_sum "Nd4 Mn8 Si1"
_cell_length_a 5.25096293
_cell_length_b 5.25096293
_cell_length_c 8.847382
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 116.69185823
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | a0fef015-171f-4006-94f8-c15080d47afc | mp-28408 | Insert a Au atom in the line between atoms at indices 7 and 3, and the inserted atom must be 2.00 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural K4Tc4Cl12
_chemical_formula_sum "K4 Tc4 Cl12"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.29012382999998
... | data_image0
_chemical_formula_structural K4Tc4Cl12Au
_chemical_formula_sum "K4 Tc4 Cl12 Au1"
_cell_length_a 8.32995358
_cell_length_b 8.32995358
_cell_length_c 9.06021125
_cell_angle_alpha 86.36834409000001
_cell_angle_beta 86.36834409000001
_cell_angle_gamma 118.290123829... |
InsertBetweenAtomsAction | 028542ec-9499-4374-9f49-dca1efe093a3 | mp-1106104 | Insert a Ne atom in the line between atoms at indices 1 and 10, and the inserted atom must be 5.49 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Al2I6N10
_chemical_formula_sum "Al2 I6 N10"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Al2I6N10Ne
_chemical_formula_sum "Al2 I6 N10 Ne1"
_cell_length_a 7.5444443
_cell_length_b 7.5444443
_cell_length_c 7.84713676
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 125.33569956
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 3e693925-044c-4ff1-b7e9-20e4bf0fd248 | mp-1203797 | Insert a No atom in the line between atoms at indices 24 and 2, and the inserted atom must be 4.10 angstrom from atom at 24 in the cif file. | data_image0
_chemical_formula_structural Nd26B8O52
_chemical_formula_sum "Nd26 B8 O52"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nd26B8O52No
_chemical_formula_sum "Nd26 B8 O52 No1"
_cell_length_a 12.775934
_cell_length_b 6.799471
_cell_length_c 14.426337179999999
_cell_angle_alpha 80.3467461
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 4c0465ba-e864-4661-8b94-137ba22824ea | mp-759828 | Insert a Cf atom in the line between atoms at indices 0 and 27, and the inserted atom must be 1.91 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103.92782... | data_image0
_chemical_formula_structural Li2Mn2V2P4H4O20Cf
_chemical_formula_sum "Li2 Mn2 V2 P4 H4 O20 Cf1"
_cell_length_a 5.244304
_cell_length_b 7.351761029999999
_cell_length_c 10.12545201
_cell_angle_alpha 103.31881179
_cell_angle_beta 99.32007668
_cell_angle_gamma 103... |
InsertBetweenAtomsAction | f6128122-80f4-4d89-a49e-8d4493395e95 | mp-580525 | Insert a I atom in the line between atoms at indices 38 and 3, and the inserted atom must be 5.59 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Dy12Ni12Sn24
_chemical_formula_sum "Dy12 Ni12 Sn24"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_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 Dy12Ni12Sn24I
_chemical_formula_sum "Dy12 Ni12 Sn24 I1"
_cell_length_a 4.441213
_cell_length_b 14.647266
_cell_length_c 16.15592
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | 47a87a3d-7c97-4029-9b2a-b36b895e5c2c | mp-1175149 | Insert a Kr atom in the line between atoms at indices 12 and 11, and the inserted atom must be 2.91 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Li7Mn4CoO12
_chemical_formula_sum "Li7 Mn4 Co1 O12"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
_spac... | data_image0
_chemical_formula_structural Li7Mn4CoO12Kr
_chemical_formula_sum "Li7 Mn4 Co1 O12 Kr1"
_cell_length_a 5.90637818
_cell_length_b 5.94372961
_cell_length_c 6.47153345
_cell_angle_alpha 103.60947684000001
_cell_angle_beta 104.56002002
_cell_angle_gamma 87.4318284
... |
InsertBetweenAtomsAction | b9ba1793-4b3b-4f09-9060-fc1a10609723 | mp-1033833 | Insert a Cf atom in the line between atoms at indices 12 and 0, and the inserted atom must be 1.07 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural CsRbMg6O7
_chemical_formula_sum "Cs1 Rb1 Mg6 O7"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_group_na... | data_image0
_chemical_formula_structural CsRbMg6O7Cf
_chemical_formula_sum "Cs1 Rb1 Mg6 O7 Cf1"
_cell_length_a 8.01571157
_cell_length_b 5.11553541
_cell_length_c 5.115538539999999
_cell_angle_alpha 90.0
_cell_angle_beta 90.00000357
_cell_angle_gamma 89.99999846
_space_gr... |
InsertBetweenAtomsAction | 149a2dbe-03b6-4e90-ac12-4bfe04034f86 | mp-768385 | Insert a H atom in the line between atoms at indices 7 and 15, and the inserted atom must be 2.56 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Ba8Y4Br28
_chemical_formula_sum "Ba8 Y4 Br28"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ba8Y4Br28H
_chemical_formula_sum "Ba8 Y4 Br28 H1"
_cell_length_a 18.238748
_cell_length_b 7.685806
_cell_length_c 14.66278223
_cell_angle_alpha 58.734098530000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
InsertBetweenAtomsAction | 80e48004-0f81-48cf-895f-bd51eafc5f2c | mp-1022085 | Insert a Pa atom in the line between atoms at indices 9 and 14, and the inserted atom must be 4.48 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg12Cu2B2
_chemical_formula_sum "Mg12 Cu2 B2"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 Mg12Cu2B2Pa
_chemical_formula_sum "Mg12 Cu2 B2 Pa1"
_cell_length_a 4.488917
_cell_length_b 6.402117
_cell_length_c 10.176511
_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 | eb0c07eb-87b3-415b-8969-1ba5abf3a7f4 | mp-1272815 | Insert a At atom in the line between atoms at indices 0 and 3, and the inserted atom must be 0.98 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr4Co4O12
_chemical_formula_sum "Sr4 Co4 O12"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_name_H... | data_image0
_chemical_formula_structural Sr4Co4O12At
_chemical_formula_sum "Sr4 Co4 O12 At1"
_cell_length_a 5.49019555
_cell_length_b 6.73615954
_cell_length_c 6.73608611
_cell_angle_alpha 70.94369734
_cell_angle_beta 90.0001565
_cell_angle_gamma 90.00014446
_space_group_... |
InsertBetweenAtomsAction | 96d44e8e-44e0-4780-a4f6-c49c7ea6ab42 | mp-722245 | Insert a Np atom in the line between atoms at indices 23 and 35, and the inserted atom must be 6.52 angstrom from atom at 23 in the cif file. | data_image0
_chemical_formula_structural K8H8C8S8N8O4
_chemical_formula_sum "K8 H8 C8 S8 N8 O4"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_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 K8H8C8S8N8O4Np
_chemical_formula_sum "K8 H8 C8 S8 N8 O4 Np1"
_cell_length_a 8.118295
_cell_length_b 9.880075
_cell_length_c 10.361205
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 9e8e2244-da54-4771-b760-0c72eea937be | mp-1046251 | Insert a Am atom in the line between atoms at indices 1 and 22, and the inserted atom must be 0.98 angstrom from atom at 1 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 Ta4Zn4W2O16Am
_chemical_formula_sum "Ta4 Zn4 W2 O16 Am1"
_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
_s... |
InsertBetweenAtomsAction | 470fb557-5daf-43e8-96f1-b1e53e218365 | mp-849612 | Insert a Ga atom in the line between atoms at indices 35 and 17, and the inserted atom must be 1.88 angstrom from atom at 35 in the cif file. | data_image0
_chemical_formula_structural Li2Fe8B8O24
_chemical_formula_sum "Li2 Fe8 B8 O24"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702683000... | data_image0
_chemical_formula_structural Li2Fe8B8O24Ga
_chemical_formula_sum "Li2 Fe8 B8 O24 Ga1"
_cell_length_a 5.257853
_cell_length_b 5.25818243
_cell_length_c 20.16227652
_cell_angle_alpha 89.95562184000002
_cell_angle_beta 90.19017187000001
_cell_angle_gamma 119.21702... |
InsertBetweenAtomsAction | 3c77a7bd-35f4-4d1a-8e07-0af925506298 | mp-768242 | Insert a Si atom in the line between atoms at indices 10 and 15, and the inserted atom must be 3.57 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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_nu... | data_image0
_chemical_formula_structural Pt4O12Si
_chemical_formula_sum "Pt4 O12 Si1"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_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... |
InsertBetweenAtomsAction | 9d6d2a24-1f33-4a8f-a450-028089db33d6 | mp-1216937 | Insert a Np atom in the line between atoms at indices 31 and 17, and the inserted atom must be 0.50 angstrom from atom at 31 in the cif file. | data_image0
_chemical_formula_structural Ti4Nb4H4O20
_chemical_formula_sum "Ti4 Nb4 H4 O20"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_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 Ti4Nb4H4O20Np
_chemical_formula_sum "Ti4 Nb4 H4 O20 Np1"
_cell_length_a 3.817738
_cell_length_b 6.581201
_cell_length_c 16.933684
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | dd9f8206-4ebd-477f-98b0-5d6a6d960cce | mp-1552 | Insert a No atom in the line between atoms at indices 0 and 10, and the inserted atom must be 4.00 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Mo8C4
_chemical_formula_sum "Mo8 C4"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Mo8C4No
_chemical_formula_sum "Mo8 C4 No1"
_cell_length_a 4.7285431
_cell_length_b 5.20975702
_cell_length_c 6.05260249
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_g... |
InsertBetweenAtomsAction | 9c461ce0-74e2-47e6-9ea6-18ca50abee94 | mp-1223619 | Insert a Tl atom in the line between atoms at indices 77 and 56, and the inserted atom must be 8.41 angstrom from atom at 77 in the cif file. | data_image0
_chemical_formula_structural Mg4Al4Si16O60
_chemical_formula_sum "Mg4 Al4 Si16 O60"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg4Al4Si16O60Tl
_chemical_formula_sum "Mg4 Al4 Si16 O60 Tl1"
_cell_length_a 5.36580177
_cell_length_b 12.84649751
_cell_length_c 18.23494156
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 22f8a806-166e-4f36-8bff-028ba08954e9 | mp-2217073 | Insert a P atom in the line between atoms at indices 9 and 7, and the inserted atom must be 3.26 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural MgTi3O6
_chemical_formula_sum "Mg1 Ti3 O6"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_group_na... | data_image0
_chemical_formula_structural MgTi3O6P
_chemical_formula_sum "Mg1 Ti3 O6 P1"
_cell_length_a 5.13118942
_cell_length_b 7.32673673
_cell_length_c 2.93737545
_cell_angle_alpha 78.42218677
_cell_angle_beta 90.06910925
_cell_angle_gamma 89.62369234000002
_space_grou... |
InsertBetweenAtomsAction | 0a669454-9a02-460d-a9e1-c36cc8f13379 | mp-757162 | Insert a Ru atom in the line between atoms at indices 10 and 1, and the inserted atom must be 2.23 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Bi6O8F2
_chemical_formula_sum "Bi6 O8 F2"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Bi6O8F2Ru
_chemical_formula_sum "Bi6 O8 F2 Ru1"
_cell_length_a 5.854082
_cell_length_b 5.765438
_cell_length_c 9.08894986
_cell_angle_alpha 80.93159899
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
InsertBetweenAtomsAction | ce664b1c-a056-4d02-aa60-0ec5f869ccc0 | mp-1104064 | Insert a Be atom in the line between atoms at indices 7 and 9, and the inserted atom must be 2.71 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8Be
_chemical_formula_sum "Zn2 H2 I2 O8 Be1"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_... |
InsertBetweenAtomsAction | 19300a80-0565-4140-bd9b-c88ae1c5de32 | mp-549058 | Insert a Tm atom in the line between atoms at indices 12 and 5, and the inserted atom must be 0.45 angstrom from atom at 12 in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90.00067... | data_image0
_chemical_formula_structural Ba4Fe4Se4O2F4Tm
_chemical_formula_sum "Ba4 Fe4 Se4 O2 F4 Tm1"
_cell_length_a 4.26583749
_cell_length_b 4.2657151
_cell_length_c 19.946585160000005
_cell_angle_alpha 89.99747917
_cell_angle_beta 89.99713968999998
_cell_angle_gamma 90... |
InsertBetweenAtomsAction | 76ef1083-357b-4b7e-a175-a225fe02698a | mp-1519666 | Insert a Ta atom in the line between atoms at indices 0 and 1, and the inserted atom must be 2.18 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Sr2CeZrO6
_chemical_formula_sum "Sr2 Ce1 Zr1 O6"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.000000... | data_image0
_chemical_formula_structural Sr2CeZrO6Ta
_chemical_formula_sum "Sr2 Ce1 Zr1 O6 Ta1"
_cell_length_a 6.10087518
_cell_length_b 6.100875180000001
_cell_length_c 6.10087518
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.... |
InsertBetweenAtomsAction | 394940ac-0d3b-4765-b509-7688f7de3d9e | mp-1246950 | Insert a Sb atom in the line between atoms at indices 1 and 9, and the inserted atom must be 1.71 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural MnC8N6
_chemical_formula_sum "Mn1 C8 N6"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731
_spa... | data_image0
_chemical_formula_structural MnC8N6Sb
_chemical_formula_sum "Mn1 C8 N6 Sb1"
_cell_length_a 5.6918229
_cell_length_b 7.22975951
_cell_length_c 7.2297591500000005
_cell_angle_alpha 59.95658291000002
_cell_angle_beta 90.16036235999998
_cell_angle_gamma 90.16036731... |
InsertBetweenAtomsAction | bec9f66d-4e7c-46d9-bb2e-94b337c82167 | mp-18133 | Insert a Cd atom in the line between atoms at indices 4 and 24, and the inserted atom must be 3.24 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Zr8Co16P12
_chemical_formula_sum "Zr8 Co16 P12"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Zr8Co16P12Cd
_chemical_formula_sum "Zr8 Co16 P12 Cd1"
_cell_length_a 12.01426533
_cell_length_b 12.0152633
_cell_length_c 3.65191901
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99873488999998
_space_group_nam... |
InsertBetweenAtomsAction | 7276b3ab-8dcc-43ce-974c-4f391eebd0bd | mp-569862 | Insert a Ba atom in the line between atoms at indices 29 and 14, and the inserted atom must be 5.35 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Rb8P4Se18
_chemical_formula_sum "Rb8 P4 Se18"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7290038... | data_image0
_chemical_formula_structural Rb8P4Se18Ba
_chemical_formula_sum "Rb8 P4 Se18 Ba1"
_cell_length_a 7.22549953
_cell_length_b 7.2254675100000005
_cell_length_c 19.33043277
_cell_angle_alpha 87.82479973999999
_cell_angle_beta 87.82577989999999
_cell_angle_gamma 94.7... |
InsertBetweenAtomsAction | b752ce58-1719-4f5d-9625-f8e1a8ada91c | mp-868007 | Insert a Hf atom in the line between atoms at indices 11 and 4, and the inserted atom must be 0.73 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li3CuNi3O8
_chemical_formula_sum "Li3 Cu1 Ni3 O8"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311699999... | data_image0
_chemical_formula_structural Li3CuNi3O8Hf
_chemical_formula_sum "Li3 Cu1 Ni3 O8 Hf1"
_cell_length_a 5.8360728
_cell_length_b 5.8360728
_cell_length_c 5.83607304
_cell_angle_alpha 59.329335500000006
_cell_angle_beta 59.32933549999999
_cell_angle_gamma 59.3293311... |
InsertBetweenAtomsAction | cdbbb1d7-9bc2-43f0-a0d9-235a6ddc2fea | mp-1190284 | Insert a Ra atom in the line between atoms at indices 2 and 16, and the inserted atom must be 2.78 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Bi8Se9
_chemical_formula_sum "Bi8 Se9"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group_name_... | data_image0
_chemical_formula_structural Bi8Se9Ra
_chemical_formula_sum "Bi8 Se9 Ra1"
_cell_length_a 4.20604969
_cell_length_b 4.20604969
_cell_length_c 34.32393858
_cell_angle_alpha 86.52853567
_cell_angle_beta 86.52853567
_cell_angle_gamma 60.00181730999999
_space_group... |
InsertBetweenAtomsAction | b96886c1-2a15-43aa-803a-b013ddee5a37 | mp-505098 | Insert a Pt atom in the line between atoms at indices 45 and 28, and the inserted atom must be 5.93 angstrom from atom at 45 in the cif file. | data_image0
_chemical_formula_structural Fe8Se12O48
_chemical_formula_sum "Fe8 Se12 O48"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Fe8Se12O48Pt
_chemical_formula_sum "Fe8 Se12 O48 Pt1"
_cell_length_a 8.93422158
_cell_length_b 8.57045447
_cell_length_c 14.581498490000001
_cell_angle_alpha 55.32907682
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
InsertBetweenAtomsAction | 67629e4d-aba5-4e3c-8f7c-ebc570eda3dd | mp-768070 | Insert a Hs atom in the line between atoms at indices 26 and 12, and the inserted atom must be 1.36 angstrom from atom at 26 in the cif file. | data_image0
_chemical_formula_structural Na8Ni4P4C4O28
_chemical_formula_sum "Na8 Ni4 P4 C4 O28"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.59041195
... | data_image0
_chemical_formula_structural Na8Ni4P4C4O28Hs
_chemical_formula_sum "Na8 Ni4 P4 C4 O28 Hs1"
_cell_length_a 10.09848388
_cell_length_b 10.32168703
_cell_length_c 6.66640153
_cell_angle_alpha 90.48000207
_cell_angle_beta 90.24369472999999
_cell_angle_gamma 60.5904... |
InsertBetweenAtomsAction | ba984339-fcc1-48e8-b6a6-758809f877a2 | mp-570258 | Insert a W atom in the line between atoms at indices 2 and 16, and the inserted atom must be 0.55 angstrom from atom at 2 in the cif file. | data_image0
_chemical_formula_structural Ca6Al4N8
_chemical_formula_sum "Ca6 Al4 N8"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_space_g... | data_image0
_chemical_formula_structural Ca6Al4N8W
_chemical_formula_sum "Ca6 Al4 N8 W1"
_cell_length_a 6.70681437
_cell_length_b 6.70681437
_cell_length_c 5.49639854
_cell_angle_alpha 88.31770329999999
_cell_angle_beta 88.31770329999999
_cell_angle_gamma 75.76571166
_spa... |
InsertBetweenAtomsAction | 814dc818-c451-4551-a8f8-8d60f6293080 | mp-20083 | Insert a Ne atom in the line between atoms at indices 9 and 0, and the inserted atom must be 0.64 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Sc4Cu4Si4
_chemical_formula_sum "Sc4 Cu4 Si4"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_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 Sc4Cu4Si4Ne
_chemical_formula_sum "Sc4 Cu4 Si4 Ne1"
_cell_length_a 3.94833885
_cell_length_b 6.53023046
_cell_length_c 7.16051603
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | aac8be88-7db4-42b9-b007-ae066c9ba66b | mp-1196873 | Insert a Ar atom in the line between atoms at indices 17 and 14, and the inserted atom must be 2.07 angstrom from atom at 17 in the cif file. | data_image0
_chemical_formula_structural Er6Co8Ge26
_chemical_formula_sum "Er6 Co8 Ge26"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 Er6Co8Ge26Ar
_chemical_formula_sum "Er6 Co8 Ge26 Ar1"
_cell_length_a 8.763719
_cell_length_b 8.763719
_cell_length_c 8.763719
_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 | ac3c6230-bff3-4582-8a38-ecbd7acea67a | mp-26941 | Insert a Md atom in the line between atoms at indices 27 and 6, and the inserted atom must be 0.97 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 Li4Mn4P4O16Md
_chemical_formula_sum "Li4 Mn4 P4 O16 Md1"
_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 | 300cee4a-5723-4538-b034-f14095ab5334 | mp-2231123 | Insert a Cu atom in the line between atoms at indices 10 and 4, and the inserted atom must be 3.00 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Na4MgTi2Ge2O10
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4MgTi2Ge2O10Cu
_chemical_formula_sum "Na4 Mg1 Ti2 Ge2 O10 Cu1"
_cell_length_a 5.8387014
_cell_length_b 6.63496181
_cell_length_c 6.63496181
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
InsertBetweenAtomsAction | 27e5dd92-bc51-4470-bbdb-aec36dbb171d | mp-1225622 | Insert a Mg atom in the line between atoms at indices 1 and 8, and the inserted atom must be 2.03 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural Er4Al4Fe4
_chemical_formula_sum "Er4 Al4 Fe4"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_name_H-... | data_image0
_chemical_formula_structural Er4Al4Fe4Mg
_chemical_formula_sum "Er4 Al4 Fe4 Mg1"
_cell_length_a 5.38654356
_cell_length_b 5.386450749999999
_cell_length_c 8.523462
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 59.771681419999986
_space_group_n... |
InsertBetweenAtomsAction | dad77bde-bf8e-4bca-9bb4-32f4a0233b4b | mp-1220943 | Insert a Og atom in the line between atoms at indices 9 and 5, and the inserted atom must be 1.40 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Na8Al8Si8O32
_chemical_formula_sum "Na8 Al8 Si8 O32"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_space_g... | data_image0
_chemical_formula_structural Na8Al8Si8O32Og
_chemical_formula_sum "Na8 Al8 Si8 O32 Og1"
_cell_length_a 8.45517465
_cell_length_b 10.06538869
_cell_length_c 10.03117965
_cell_angle_alpha 119.93793984
_cell_angle_beta 90.17036924
_cell_angle_gamma 89.76689811
_s... |
InsertBetweenAtomsAction | dffcdf87-9d2a-4485-9c20-4786e5f4cc86 | mp-696656 | Insert a Ts atom in the line between atoms at indices 32 and 29, and the inserted atom must be 1.72 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural B4H16O8F12
_chemical_formula_sum "B4 H16 O8 F12"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural B4H16O8F12Ts
_chemical_formula_sum "B4 H16 O8 F12 Ts1"
_cell_length_a 7.43387
_cell_length_b 5.643563
_cell_length_c 8.77295044
_cell_angle_alpha 89.9492871
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 8dfd44f2-96d0-4f5d-bceb-b912bd2a678c | mp-1212741 | Insert a Pr atom in the line between atoms at indices 5 and 8, and the inserted atom must be 1.56 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Eu2Al6B8O24
_chemical_formula_sum "Eu2 Al6 B8 O24"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599
_spa... | data_image0
_chemical_formula_structural Eu2Al6B8O24Pr
_chemical_formula_sum "Eu2 Al6 B8 O24 Pr1"
_cell_length_a 5.96691806
_cell_length_b 5.96691806
_cell_length_c 11.285481099999998
_cell_angle_alpha 81.50343243
_cell_angle_beta 81.50343243
_cell_angle_gamma 104.10647599... |
InsertBetweenAtomsAction | 9e6829d1-34e5-4222-9b42-599e97645477 | mp-1111891 | Insert a Np atom in the line between atoms at indices 8 and 0, and the inserted atom must be 0.82 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural Na3LuCl6
_chemical_formula_sum "Na3 Lu1 Cl6"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_... | data_image0
_chemical_formula_structural Na3LuCl6Np
_chemical_formula_sum "Na3 Lu1 Cl6 Np1"
_cell_length_a 7.43056797
_cell_length_b 7.43056797
_cell_length_c 7.43056797
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... |
InsertBetweenAtomsAction | 65bb9479-1c17-4f79-86bd-002095526222 | mp-1147529 | Insert a Gd atom in the line between atoms at indices 5 and 0, and the inserted atom must be 1.15 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Ba4Cu3BrO6
_chemical_formula_sum "Ba4 Cu3 Br1 O6"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ba4Cu3BrO6Gd
_chemical_formula_sum "Ba4 Cu3 Br1 O6 Gd1"
_cell_length_a 6.92670674
_cell_length_b 6.92670674
_cell_length_c 6.92670674
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_spac... |
InsertBetweenAtomsAction | 393f80b8-a8a4-4808-91f9-5946919de609 | mp-761916 | Insert a Ga atom in the line between atoms at indices 38 and 37, and the inserted atom must be 3.63 angstrom from atom at 38 in the cif file. | data_image0
_chemical_formula_structural Na4H16Au4Br16O8
_chemical_formula_sum "Na4 H16 Au4 Br16 O8"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_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 Na4H16Au4Br16O8Ga
_chemical_formula_sum "Na4 H16 Au4 Br16 O8 Ga1"
_cell_length_a 7.60692
_cell_length_b 9.490718
_cell_length_c 13.416992
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
InsertBetweenAtomsAction | 1c12aa33-7971-49c6-b285-d285258b108a | mp-15203 | Insert a Ca atom in the line between atoms at indices 2 and 44, and the inserted atom must be 4.86 angstrom from atom at 2 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 Li12Ca24W8N32O6Ca
_chemical_formula_sum "Li12 Ca25 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_ga... |
InsertBetweenAtomsAction | 7068d0e3-e573-4b32-8077-7f0371a454fa | mp-30215 | Insert a Kr atom in the line between atoms at indices 20 and 21, and the inserted atom must be 3.44 angstrom from atom at 20 in the cif file. | data_image0
_chemical_formula_structural Pr12Mo4O28
_chemical_formula_sum "Pr12 Mo4 O28"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_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 Pr12Mo4O28Kr
_chemical_formula_sum "Pr12 Mo4 O28 Kr1"
_cell_length_a 7.62193605
_cell_length_b 7.64154085
_cell_length_c 11.00557648
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | c0bba6b5-2bfd-45b2-83bb-8177c2cc6bf4 | mp-1043069 | Insert a In atom in the line between atoms at indices 15 and 12, and the inserted atom must be 5.54 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural ZnCr4Cu3O12
_chemical_formula_sum "Zn1 Cr4 Cu3 O12"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42098417... | data_image0
_chemical_formula_structural ZnCr4Cu3O12In
_chemical_formula_sum "Zn1 Cr4 Cu3 O12 In1"
_cell_length_a 6.35183077
_cell_length_b 6.365661799999999
_cell_length_c 6.36522988
_cell_angle_alpha 70.48853784
_cell_angle_beta 70.56204123999999
_cell_angle_gamma 109.42... |
InsertBetweenAtomsAction | 022ba9cf-890a-4723-94e4-a73beac39e12 | mp-1173960 | Insert a Zr atom in the line between atoms at indices 10 and 17, and the inserted atom must be 5.51 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li6Co4O10
_chemical_formula_sum "Li6 Co4 O10"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_group_n... | data_image0
_chemical_formula_structural Li6Co4O10Zr
_chemical_formula_sum "Li6 Co4 O10 Zr1"
_cell_length_a 4.951427
_cell_length_b 5.02580814
_cell_length_c 7.56259108
_cell_angle_alpha 71.79910587
_cell_angle_beta 72.19121182000002
_cell_angle_gamma 79.81802241
_space_g... |
InsertBetweenAtomsAction | 236b6dfb-9bf3-40b3-9017-c69d7454e213 | mp-1212178 | Insert a Mn atom in the line between atoms at indices 63 and 85, and the inserted atom must be 2.52 angstrom from atom at 63 in the cif file. | data_image0
_chemical_formula_structural In4H36S8O48
_chemical_formula_sum "In4 H36 S8 O48"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_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 In4H36S8O48Mn
_chemical_formula_sum "In4 H36 S8 O48 Mn1"
_cell_length_a 5.647747
_cell_length_b 10.086732
_cell_length_c 18.735869
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 857a10aa-45f9-46ba-82c9-e917d75a3d7b | mp-1246265 | Insert a Ir atom in the line between atoms at indices 14 and 16, and the inserted atom must be 1.08 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co2Ni10N8
_chemical_formula_sum "Co2 Ni10 N8"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 Co2Ni10N8Ir
_chemical_formula_sum "Co2 Ni10 N8 Ir1"
_cell_length_a 8.954768
_cell_length_b 5.75865
_cell_length_c 3.969603
_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 | 8e89fc8c-d35b-4e8e-92a4-bb2dc3973bcd | mp-628951 | Insert a Sb atom in the line between atoms at indices 1 and 39, and the inserted atom must be 4.05 angstrom from atom at 1 in the cif file. | data_image0
_chemical_formula_structural V8P8O36
_chemical_formula_sum "V8 P8 O36"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 V8P8O36Sb
_chemical_formula_sum "V8 P8 O36 Sb1"
_cell_length_a 7.52725
_cell_length_b 8.549103
_cell_length_c 9.692043
_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 | 0dc01ee3-9126-4a2a-838f-338474985596 | mp-1235624 | Insert a Cs atom in the line between atoms at indices 7 and 10, and the inserted atom must be 0.35 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural LiAl2Cu2O6
_chemical_formula_sum "Li1 Al2 Cu2 O6"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural LiAl2Cu2O6Cs
_chemical_formula_sum "Li1 Al2 Cu2 O6 Cs1"
_cell_length_a 3.037194
_cell_length_b 3.03719336
_cell_length_c 13.313027
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998516999999
_space_group_name_... |
InsertBetweenAtomsAction | 65a3e1e4-7109-4c4c-9a1b-ac0b03a3de39 | mp-27013 | Insert a Ne atom in the line between atoms at indices 56 and 31, and the inserted atom must be 2.74 angstrom from atom at 56 in the cif file. | data_image0
_chemical_formula_structural Li18V6P16O58
_chemical_formula_sum "Li18 V6 P16 O58"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group_name_... | data_image0
_chemical_formula_structural Li18V6P16O58Ne
_chemical_formula_sum "Li18 V6 P16 O58 Ne1"
_cell_length_a 9.88202638
_cell_length_b 9.882026380000001
_cell_length_c 13.812827
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000257
_space_group... |
InsertBetweenAtomsAction | 934d2bf1-7d16-4597-87fa-538f02951825 | mp-540818 | Insert a Os atom in the line between atoms at indices 4 and 34, and the inserted atom must be 6.18 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Tl8Ge8Se20
_chemical_formula_sum "Tl8 Ge8 Se20"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_group_n... | data_image0
_chemical_formula_structural Tl8Ge8Se20Os
_chemical_formula_sum "Tl8 Ge8 Se20 Os1"
_cell_length_a 11.17155027
_cell_length_b 11.17155027
_cell_length_c 9.12595111
_cell_angle_alpha 78.15865084
_cell_angle_beta 78.15865084
_cell_angle_gamma 89.72956838
_space_g... |
InsertBetweenAtomsAction | 8a748afc-f90c-42d8-b0bd-62113c33a70c | mp-570466 | Insert a Te atom in the line between atoms at indices 9 and 6, and the inserted atom must be 1.49 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li8Ca4
_chemical_formula_sum "Li8 Ca4"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural Li8Ca4Te
_chemical_formula_sum "Li8 Ca4 Te1"
_cell_length_a 6.19327088
_cell_length_b 6.1932687699999995
_cell_length_c 10.18371546
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000574000002
_space_group_name... |
InsertBetweenAtomsAction | d5784fd2-8a6a-4112-b4bc-bd12e45c7d4a | mp-27353 | Insert a He atom in the line between atoms at indices 4 and 54, and the inserted atom must be 4.32 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36He
_chemical_formula_sum "Sb12 Cl24 F36 He1"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 1864c172-a3fb-4463-a460-3936a57691cb | mp-1200885 | Insert a Sm atom in the line between atoms at indices 29 and 15, and the inserted atom must be 2.30 angstrom from atom at 29 in the cif file. | data_image0
_chemical_formula_structural Y16C28
_chemical_formula_sum "Y16 C28"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Y16C28Sm
_chemical_formula_sum "Y16 C28 Sm1"
_cell_length_a 3.705523
_cell_length_b 12.60303057
_cell_length_c 13.70947855
_cell_angle_alpha 90.0
_cell_angle_beta 96.72964334
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
InsertBetweenAtomsAction | 2260cdb6-87cb-4b27-9697-7f38f4aab979 | mp-1201604 | Insert a Os atom in the line between atoms at indices 48 and 55, and the inserted atom must be 3.43 angstrom from atom at 48 in the cif file. | data_image0
_chemical_formula_structural Cd16B8O32
_chemical_formula_sum "Cd16 B8 O32"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Cd16B8O32Os
_chemical_formula_sum "Cd16 B8 O32 Os1"
_cell_length_a 10.00194764
_cell_length_b 10.00194764
_cell_length_c 10.00194764
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999... |
InsertBetweenAtomsAction | 94b21565-577b-426e-8f6f-d46e81138e60 | mp-764512 | Insert a Te atom in the line between atoms at indices 7 and 29, and the inserted atom must be 5.03 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Li5Fe8B8O24
_chemical_formula_sum "Li5 Fe8 B8 O24"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
_space... | data_image0
_chemical_formula_structural Li5Fe8B8O24Te
_chemical_formula_sum "Li5 Fe8 B8 O24 Te1"
_cell_length_a 5.271667
_cell_length_b 9.04378802
_cell_length_c 11.420092480000001
_cell_angle_alpha 113.07253968
_cell_angle_beta 102.26797147
_cell_angle_gamma 89.8232808
... |
InsertBetweenAtomsAction | 0f15c166-1db0-44a9-bf5b-7bc276579dfe | mp-29057 | Insert a Ge atom in the line between atoms at indices 9 and 1, and the inserted atom must be 3.64 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Nb3SBr7
_chemical_formula_sum "Nb3 S1 Br7"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb3SBr7Ge
_chemical_formula_sum "Nb3 S1 Br7 Ge1"
_cell_length_a 7.17997263
_cell_length_b 7.17997254
_cell_length_c 6.54616994
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034999998
_space_group_name_H-M_... |
InsertBetweenAtomsAction | c9adc510-14b7-4c08-8850-df55a5c017b1 | mp-1228133 | Insert a Nb atom in the line between atoms at indices 4 and 10, and the inserted atom must be 0.56 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Ba3Lu2MoO9
_chemical_formula_sum "Ba3 Lu2 Mo1 O9"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba3Lu2MoO9Nb
_chemical_formula_sum "Ba3 Lu2 Mo1 O9 Nb1"
_cell_length_a 5.94778682
_cell_length_b 5.94778682
_cell_length_c 7.28242392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000179000001
_space_group_na... |
InsertBetweenAtomsAction | 49b3aa3e-cb63-4b7c-81fd-821705e74671 | mp-754693 | Insert a Ts atom in the line between atoms at indices 15 and 3, and the inserted atom must be 1.02 angstrom from atom at 15 in the cif file. | data_image0
_chemical_formula_structural Lu2Bi6O12
_chemical_formula_sum "Lu2 Bi6 O12"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705000001... | data_image0
_chemical_formula_structural Lu2Bi6O12Ts
_chemical_formula_sum "Lu2 Bi6 O12 Ts1"
_cell_length_a 6.96675965
_cell_length_b 6.966759650000001
_cell_length_c 6.966759500000001
_cell_angle_alpha 93.17896997
_cell_angle_beta 93.17896997
_cell_angle_gamma 93.17895705... |
InsertBetweenAtomsAction | 10b7a239-9615-4d5a-bdf7-c0134f2832ad | mp-1192677 | Insert a Mn atom in the line between atoms at indices 0 and 14, and the inserted atom must be 1.43 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Mn
_chemical_formula_sum "Cs4 Pr6 Os1 I13 Mn1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.... |
InsertBetweenAtomsAction | 57857b4e-7b72-4217-a5df-ee80d9f0ebbb | mp-2216729 | Insert a Pd atom in the line between atoms at indices 11 and 4, and the inserted atom must be 9.78 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Ti6H4O14
_chemical_formula_sum "Ti6 H4 O14"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space_group... | data_image0
_chemical_formula_structural Ti6H4O14Pd
_chemical_formula_sum "Ti6 H4 O14 Pd1"
_cell_length_a 8.43990617
_cell_length_b 8.38281178
_cell_length_c 9.45617311
_cell_angle_alpha 79.47027434
_cell_angle_beta 100.46037404
_cell_angle_gamma 154.07255096000003
_space... |
InsertBetweenAtomsAction | c56c1e8e-e246-423f-ba87-f0ffa256bbf2 | mp-1195074 | Insert a Np atom in the line between atoms at indices 6 and 12, and the inserted atom must be 7.46 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural U8Pb4S20
_chemical_formula_sum "U8 Pb4 S20"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural U8Pb4S20Np
_chemical_formula_sum "U8 Pb4 S20 Np1"
_cell_length_a 7.5826125
_cell_length_b 8.32006419
_cell_length_c 11.79754383
_cell_angle_alpha 89.70337174
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | dd1fc537-85f8-4a14-bdbc-8e01cf9a6de2 | mp-1192677 | Insert a Nd atom in the line between atoms at indices 7 and 0, and the inserted atom must be 2.96 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Nd
_chemical_formula_sum "Cs4 Pr6 Os1 I13 Nd1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.... |
InsertBetweenAtomsAction | 554a834a-1bcd-4934-9e63-d1dc79646250 | mp-735521 | Insert a I atom in the line between atoms at indices 44 and 25, and the inserted atom must be 1.40 angstrom from atom at 44 in the cif file. | data_image0
_chemical_formula_structural Mn4H24O12F12
_chemical_formula_sum "Mn4 H24 O12 F12"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn4H24O12F12I
_chemical_formula_sum "Mn4 H24 O12 F12 I1"
_cell_length_a 8.45010996
_cell_length_b 9.23911177
_cell_length_c 6.39880545
_cell_angle_alpha 90.0
_cell_angle_beta 100.80680500999999
_cell_angle_gamma 90.0
_space_group_n... |
InsertBetweenAtomsAction | 233a4901-16f0-488a-ac05-69e5b4ac4c7f | mp-774513 | Insert a Pb atom in the line between atoms at indices 52 and 21, and the inserted atom must be 12.14 angstrom from atom at 52 in the cif file. | data_image0
_chemical_formula_structural Li8Ti8Co10O36
_chemical_formula_sum "Li8 Ti8 Co10 O36"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_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 Li8Ti8Co10O36Pb
_chemical_formula_sum "Li8 Ti8 Co10 O36 Pb1"
_cell_length_a 2.887169
_cell_length_b 8.984515
_cell_length_c 24.75377
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
InsertBetweenAtomsAction | 98da4918-424d-42f7-826d-ecee9c64a960 | mp-29717 | Insert a F atom in the line between atoms at indices 42 and 41, and the inserted atom must be 10.36 angstrom from atom at 42 in the cif file. | data_image0
_chemical_formula_structural Ag4W24Br56
_chemical_formula_sum "Ag4 W24 Br56"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ag4W24Br56F
_chemical_formula_sum "Ag4 W24 Br56 F1"
_cell_length_a 13.761003
_cell_length_b 13.761003
_cell_length_c 13.761003
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
InsertBetweenAtomsAction | e55808a0-6853-4561-9926-c4280233f70b | mp-557500 | Insert a Fe atom in the line between atoms at indices 9 and 2, and the inserted atom must be 2.69 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural LiNiP2S6
_chemical_formula_sum "Li1 Ni1 P2 S6"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_space_gro... | data_image0
_chemical_formula_structural LiNiP2S6Fe
_chemical_formula_sum "Li1 Ni1 P2 S6 Fe1"
_cell_length_a 5.89583925
_cell_length_b 5.89583925
_cell_length_c 6.96370041
_cell_angle_alpha 82.41561003
_cell_angle_beta 82.41561003
_cell_angle_gamma 120.34450382000001
_spa... |
InsertBetweenAtomsAction | 9d3db488-5cd3-41a5-8a24-fe14e2d31c7d | mp-1217947 | Insert a Ds atom in the line between atoms at indices 0 and 2, and the inserted atom must be 4.90 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24
_chemical_formula_sum "Ta4 Nb4 Ag8 O24"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Ta4Nb4Ag8O24Ds
_chemical_formula_sum "Ta4 Nb4 Ag8 O24 Ds1"
_cell_length_a 5.614271
_cell_length_b 5.686728
_cell_length_c 15.851884
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
InsertBetweenAtomsAction | 4c42cb9e-c576-489f-b071-557c2a8287ac | mp-1223746 | Insert a Ca atom in the line between atoms at indices 7 and 16, and the inserted atom must be 4.70 angstrom from atom at 7 in the cif file. | data_image0
_chemical_formula_structural InSb3Pb4O13
_chemical_formula_sum "In1 Sb3 Pb4 O13"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma 60.3... | data_image0
_chemical_formula_structural InSb3Pb4O13Ca
_chemical_formula_sum "In1 Sb3 Pb4 O13 Ca1"
_cell_length_a 7.58615153
_cell_length_b 7.58615153
_cell_length_c 7.586150980000001
_cell_angle_alpha 60.338341190000016
_cell_angle_beta 60.338341190000016
_cell_angle_gamma ... |
InsertBetweenAtomsAction | 5b066c61-a832-4616-acec-10c95d76010f | mp-568053 | Insert a Cu atom in the line between atoms at indices 0 and 4, and the inserted atom must be 3.31 angstrom from atom at 0 in the cif file. | data_image0
_chemical_formula_structural Tb4Ga12Pt
_chemical_formula_sum "Tb4 Ga12 Pt1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122431
_... | data_image0
_chemical_formula_structural Tb4Ga12PtCu
_chemical_formula_sum "Tb4 Ga12 Pt1 Cu1"
_cell_length_a 7.42054485
_cell_length_b 7.420544879999999
_cell_length_c 7.42054551
_cell_angle_alpha 109.47121675000001
_cell_angle_beta 109.47121679
_cell_angle_gamma 109.47122... |
InsertBetweenAtomsAction | 8bfb72e4-45e7-4070-9f23-1dd8a146712d | mp-18973 | Insert a Og atom in the line between atoms at indices 14 and 20, and the inserted atom must be 2.39 angstrom from atom at 14 in the cif file. | data_image0
_chemical_formula_structural Co4Se8O20
_chemical_formula_sum "Co4 Se8 O20"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073
_spa... | data_image0
_chemical_formula_structural Co4Se8O20Og
_chemical_formula_sum "Co4 Se8 O20 Og1"
_cell_length_a 6.03250795
_cell_length_b 6.854543640000001
_cell_length_c 10.32688205
_cell_angle_alpha 90.00041396
_cell_angle_beta 89.99939194000001
_cell_angle_gamma 89.99181073... |
InsertBetweenAtomsAction | 80c37ce5-bf60-413b-8182-d5f5bd48b7c2 | mp-1073003 | Insert a Pt atom in the line between atoms at indices 5 and 11, and the inserted atom must be 10.43 angstrom from atom at 5 in the cif file. | data_image0
_chemical_formula_structural Mg8Si12
_chemical_formula_sum "Mg8 Si12"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_space_gro... | data_image0
_chemical_formula_structural Mg8Si12Pt
_chemical_formula_sum "Mg8 Si12 Pt1"
_cell_length_a 5.32799526
_cell_length_b 5.32799526
_cell_length_c 17.92475049
_cell_angle_alpha 89.94280902000001
_cell_angle_beta 89.94280902000001
_cell_angle_gamma 45.32534773
_spa... |
InsertBetweenAtomsAction | 7df700c3-1f88-4df7-a203-3c8a2bb2fab6 | mp-753007 | Insert a Fr atom in the line between atoms at indices 6 and 4, and the inserted atom must be 3.96 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Mn6O5F7Fr
_chemical_formula_sum "Mn6 O5 F7 Fr1"
_cell_length_a 5.630544
_cell_length_b 5.73634397
_cell_length_c 7.30659204
_cell_angle_alpha 74.02277974
_cell_angle_beta 74.24927185
_cell_angle_gamma 72.42715562
_space_group_name_... |
InsertBetweenAtomsAction | d48f4328-6625-46ff-afc2-ca503547e178 | mp-1386638 | Insert a Zr atom in the line between atoms at indices 19 and 17, and the inserted atom must be 1.70 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Na5Cu3P4O16
_chemical_formula_sum "Na5 Cu3 P4 O16"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_space_... | data_image0
_chemical_formula_structural Na5Cu3P4O16Zr
_chemical_formula_sum "Na5 Cu3 P4 O16 Zr1"
_cell_length_a 5.153311
_cell_length_b 8.50180228
_cell_length_c 9.19285883
_cell_angle_alpha 116.13220197999999
_cell_angle_beta 89.51196592
_cell_angle_gamma 106.14481032
_... |
InsertBetweenAtomsAction | 8f0e9d44-f0dc-4786-b96b-5efa15402c60 | mp-1196375 | Insert a Ag atom in the line between atoms at indices 8 and 13, and the inserted atom must be 1.99 angstrom from atom at 8 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 Gd2Cd40Ni4Ag
_chemical_formula_sum "Gd2 Cd40 Ni4 Ag1"
_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 | 017cfa45-9990-4dda-b7f9-81e3fcf1e913 | mp-1208324 | Insert a B atom in the line between atoms at indices 19 and 0, and the inserted atom must be 0.99 angstrom from atom at 19 in the cif file. | data_image0
_chemical_formula_structural Ti8Al12
_chemical_formula_sum "Ti8 Al12"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Ti8Al12B
_chemical_formula_sum "Ti8 Al12 B1"
_cell_length_a 6.118791
_cell_length_b 6.118791
_cell_length_c 10.29645148
_cell_angle_alpha 107.28537181
_cell_angle_beta 107.28537181
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | c9394001-ecc6-4773-84f6-68414b24faaf | mp-1210838 | Insert a Xe atom in the line between atoms at indices 21 and 1, and the inserted atom must be 3.13 angstrom from atom at 21 in the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_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 Mg2P2H12N2O10Xe
_chemical_formula_sum "Mg2 P2 H12 N2 O10 Xe1"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
InsertBetweenAtomsAction | 226cab6a-2f39-47b7-a296-717bac6829e0 | mp-1200095 | Insert a Pu atom in the line between atoms at indices 22 and 31, and the inserted atom must be 1.29 angstrom from atom at 22 in the cif file. | data_image0
_chemical_formula_structural Sr4Np4P8O32
_chemical_formula_sum "Sr4 Np4 P8 O32"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sr4Np4P8O32Pu
_chemical_formula_sum "Sr4 Np4 P8 O32 Pu1"
_cell_length_a 6.97722498
_cell_length_b 6.97722498
_cell_length_c 13.390688
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 99.23259073
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 37916242-2984-43ea-9306-4e2004618b2d | mp-1201951 | Insert a Mt atom in the line between atoms at indices 25 and 28, and the inserted atom must be 4.78 angstrom from atom at 25 in the cif file. | data_image0
_chemical_formula_structural Ce4As4O20F4
_chemical_formula_sum "Ce4 As4 O20 F4"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Ce4As4O20F4Mt
_chemical_formula_sum "Ce4 As4 O20 F4 Mt1"
_cell_length_a 7.339404
_cell_length_b 5.309782
_cell_length_c 12.86736704
_cell_angle_alpha 70.94896114
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
InsertBetweenAtomsAction | 9d4787e1-6c24-4d9f-80b6-3d33b5ebbb81 | mp-1104551 | Insert a Cr atom in the line between atoms at indices 6 and 12, and the inserted atom must be 2.47 angstrom from atom at 6 in the cif file. | data_image0
_chemical_formula_structural DyZn12
_chemical_formula_sum "Dy1 Zn12"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_group_na... | data_image0
_chemical_formula_structural DyZn12Cr
_chemical_formula_sum "Dy1 Zn12 Cr1"
_cell_length_a 6.70345637
_cell_length_b 6.7034563700000005
_cell_length_c 6.70345637
_cell_angle_alpha 98.32478853
_cell_angle_beta 98.32478853
_cell_angle_gamma 135.27002648
_space_gr... |
InsertBetweenAtomsAction | 64fa2998-0b56-4e3e-9e02-98bab8e1634d | mp-29185 | Insert a Zn atom in the line between atoms at indices 4 and 7, and the inserted atom must be 3.60 angstrom from atom at 4 in the cif file. | data_image0
_chemical_formula_structural Te4O6F4
_chemical_formula_sum "Te4 O6 F4"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.67831409999998
_sp... | data_image0
_chemical_formula_structural Te4O6F4Zn
_chemical_formula_sum "Te4 O6 F4 Zn1"
_cell_length_a 5.14559993
_cell_length_b 6.25064884
_cell_length_c 6.88325924
_cell_angle_alpha 98.52769727000002
_cell_angle_beta 110.22595476999999
_cell_angle_gamma 92.6783140999999... |
InsertBetweenAtomsAction | d720fd7e-cd53-4ff5-b9a8-4ce89ad95c4f | mp-768657 | Insert a Tb atom in the line between atoms at indices 9 and 8, and the inserted atom must be 3.54 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4CrFe3O8
_chemical_formula_sum "Li4 Cr1 Fe3 O8"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713
_spa... | data_image0
_chemical_formula_structural Li4CrFe3O8Tb
_chemical_formula_sum "Li4 Cr1 Fe3 O8 Tb1"
_cell_length_a 5.17216
_cell_length_b 5.18489142
_cell_length_c 5.96628079
_cell_angle_alpha 106.75661343999998
_cell_angle_beta 89.98288698000002
_cell_angle_gamma 99.51075713... |
InsertBetweenAtomsAction | a9ef310d-03ce-422b-ac6f-f5f72642ffda | mp-780652 | Insert a Mo atom in the line between atoms at indices 10 and 28, and the inserted atom must be 2.62 angstrom from atom at 10 in the cif file. | data_image0
_chemical_formula_structural Li8V6P16O58
_chemical_formula_sum "Li8 V6 P16 O58"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580864799... | data_image0
_chemical_formula_structural Li8V6P16O58Mo
_chemical_formula_sum "Li8 V6 P16 O58 Mo1"
_cell_length_a 9.759701
_cell_length_b 9.77116265
_cell_length_c 14.158486300000002
_cell_angle_alpha 90.21434484
_cell_angle_beta 90.02953718999999
_cell_angle_gamma 119.8580... |
InsertBetweenAtomsAction | 1abdc611-f3d7-4f05-bf93-58f35e3a39f8 | mp-1199497 | Insert a Cu atom in the line between atoms at indices 16 and 10, and the inserted atom must be 10.99 angstrom from atom at 16 in the cif file. | data_image0
_chemical_formula_structural Cs4Mo12I28
_chemical_formula_sum "Cs4 Mo12 I28"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Cs4Mo12I28Cu
_chemical_formula_sum "Cs4 Mo12 I28 Cu1"
_cell_length_a 11.06858183
_cell_length_b 11.06858183
_cell_length_c 16.974737
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899
_space_group_name_H-M_... |
InsertBetweenAtomsAction | 2ffaba54-98c5-43f2-a7fa-d09e60bf8a36 | mp-2395 | Insert a Rg atom in the line between atoms at indices 11 and 3, and the inserted atom must be 2.42 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Sb12Rh4
_chemical_formula_sum "Sb12 Rh4"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_space_g... | data_image0
_chemical_formula_structural Sb12Rh4Rg
_chemical_formula_sum "Sb12 Rh4 Rg1"
_cell_length_a 8.06295688
_cell_length_b 8.06295689
_cell_length_c 8.06295614
_cell_angle_alpha 109.47121362999998
_cell_angle_beta 109.47121362
_cell_angle_gamma 109.47122396000002
_s... |
InsertBetweenAtomsAction | d054e4c8-3df1-4f2d-9f00-327641c77098 | mp-1223049 | Insert a Au atom in the line between atoms at indices 8 and 11, and the inserted atom must be 0.58 angstrom from atom at 8 in the cif file. | data_image0
_chemical_formula_structural La4Br3ClO4
_chemical_formula_sum "La4 Br3 Cl1 O4"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural La4Br3ClO4Au
_chemical_formula_sum "La4 Br3 Cl1 O4 Au1"
_cell_length_a 8.52979552
_cell_length_b 8.52979552
_cell_length_c 4.158477
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.62807147000001
_space_group_name... |
InsertBetweenAtomsAction | e0198731-fddc-45f6-9019-65b81a5b6c13 | mp-1075490 | Insert a U atom in the line between atoms at indices 9 and 0, and the inserted atom must be 7.70 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Mg10Si12
_chemical_formula_sum "Mg10 Si12"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Mg10Si12U
_chemical_formula_sum "Mg10 Si12 U1"
_cell_length_a 3.76229
_cell_length_b 7.462234
_cell_length_c 15.16293852
_cell_angle_alpha 86.00713684
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
InsertBetweenAtomsAction | 3a618a2e-2f0f-440c-8269-16b114435d81 | mp-771953 | Insert a Eu atom in the line between atoms at indices 9 and 0, and the inserted atom must be 0.45 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Li4Nb2Ni6O16
_chemical_formula_sum "Li4 Nb2 Ni6 O16"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li4Nb2Ni6O16Eu
_chemical_formula_sum "Li4 Nb2 Ni6 O16 Eu1"
_cell_length_a 5.87620765
_cell_length_b 5.87620765
_cell_length_c 9.636389
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999604
_space_group_name_H-... |
InsertBetweenAtomsAction | bc5511f2-5442-4d0e-983f-4801c4baedae | mp-1199329 | Insert a Si atom in the line between atoms at indices 9 and 1, and the inserted atom must be 4.13 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural Gd4P4H4C8O24
_chemical_formula_sum "Gd4 P4 H4 C8 O24"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_group_... | data_image0
_chemical_formula_structural Gd4P4H4C8O24Si
_chemical_formula_sum "Gd4 P4 H4 C8 O24 Si1"
_cell_length_a 8.2001204
_cell_length_b 9.48457093
_cell_length_c 9.48457093
_cell_angle_alpha 65.00064109
_cell_angle_beta 77.6201021
_cell_angle_gamma 77.6201021
_space_... |
InsertBetweenAtomsAction | b8140ada-c010-4791-aa79-d989f4b05d2d | mp-1207972 | Insert a No atom in the line between atoms at indices 9 and 10, and the inserted atom must be 3.26 angstrom from atom at 9 in the cif file. | data_image0
_chemical_formula_structural U4Ti6Ge8
_chemical_formula_sum "U4 Ti6 Ge8"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural U4Ti6Ge8No
_chemical_formula_sum "U4 Ti6 Ge8 No1"
_cell_length_a 7.127392
_cell_length_b 7.019499
_cell_length_c 7.11743261
_cell_angle_alpha 69.97448049
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
InsertBetweenAtomsAction | 297e4b47-1620-4ecc-964f-225e92fdc422 | mp-1226904 | Insert a W atom in the line between atoms at indices 32 and 20, and the inserted atom must be 2.36 angstrom from atom at 32 in the cif file. | data_image0
_chemical_formula_structural Ca2Al8Si4O22
_chemical_formula_sum "Ca2 Al8 Si4 O22"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_space... | data_image0
_chemical_formula_structural Ca2Al8Si4O22W
_chemical_formula_sum "Ca2 Al8 Si4 O22 W1"
_cell_length_a 5.4776243
_cell_length_b 5.4776243
_cell_length_c 12.837760639999999
_cell_angle_alpha 89.8173835
_cell_angle_beta 89.8173835
_cell_angle_gamma 119.97541108
_s... |
InsertBetweenAtomsAction | 85ebc3e0-1e05-4d5a-98bc-b96ed54f8922 | mp-759390 | Insert a Nb atom in the line between atoms at indices 11 and 77, and the inserted atom must be 1.51 angstrom from atom at 11 in the cif file. | data_image0
_chemical_formula_structural Li12Bi8P12O48
_chemical_formula_sum "Li12 Bi8 P12 O48"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li12Bi8P12O48Nb
_chemical_formula_sum "Li12 Bi8 P12 O48 Nb1"
_cell_length_a 9.449902
_cell_length_b 8.813636
_cell_length_c 12.85301105
_cell_angle_alpha 81.95434423
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... |
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