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 |
|---|---|---|---|---|---|
MoveAtomAction | 570f5294-418f-4312-aad5-c70b815cb1af | mp-1189409 | Move the atom at index 0 by [-0.083 0.005 2.669] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Tb10Si6B2
_chemical_formula_sum "Tb10 Si6 B2"
_cell_length_a 8.59632043
_cell_length_b 8.59632043
_cell_length_c 6.377204
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000334
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 15e16af7-46fc-42e4-880a-e7013fec2f32 | mp-1207606 | Move the atom at index 14 by [1.929 0.939 1.704] angstrom in the cif file. | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... | data_image0
_chemical_formula_structural YFe3B4O12
_chemical_formula_sum "Y1 Fe3 B4 O12"
_cell_length_a 6.12433214
_cell_length_b 6.124332140000001
_cell_length_c 6.12433292
_cell_angle_alpha 103.91920561999999
_cell_angle_beta 103.91920562
_cell_angle_gamma 103.91920774
... |
MoveAtomAction | 6b69f78d-2730-4403-94f7-c7470f498808 | mp-2228450 | Move the atom at index 4 by [-1.951 4.094 -0.165] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... | data_image0
_chemical_formula_structural MgMn3Cd2O8
_chemical_formula_sum "Mg1 Mn3 Cd2 O8"
_cell_length_a 5.33675026
_cell_length_b 6.23243229
_cell_length_c 5.85035914
_cell_angle_alpha 108.86450955000001
_cell_angle_beta 116.33163397
_cell_angle_gamma 89.52435890000001
... |
MoveAtomAction | aa52ebb9-4694-4a51-a4bb-317a3e29fa6e | mp-1193190 | Move the atom at index 3 by [-0.139 -0.082 1.037] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K4Cr6O18
_chemical_formula_sum "K4 Cr6 O18"
_cell_length_a 6.003451
_cell_length_b 8.22584406
_cell_length_c 9.46242053
_cell_angle_alpha 114.70555641999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 05926e24-2169-4172-a61a-c671e71bcf75 | mp-1037796 | Move the atom at index 30 by [ 2.407 -2.593 1.466] angstrom in the cif file. | data_image0
_chemical_formula_structural CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_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 CaMg30TiO32
_chemical_formula_sum "Ca1 Mg30 Ti1 O32"
_cell_length_a 8.583183
_cell_length_b 8.583183
_cell_length_c 8.578049
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
MoveAtomAction | 18a30ddf-8a55-4c53-8009-96cabec2a961 | mp-1213522 | Move the atom at index 96 by [ 0.416 2.332 -0.481] angstrom in the cif file. | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Cs4Rb4Mo12P12O68
_chemical_formula_sum "Cs4 Rb4 Mo12 P12 O68"
_cell_length_a 9.711585
_cell_length_b 10.998928
_cell_length_c 16.02131593
_cell_angle_alpha 68.56286102
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
MoveAtomAction | 98d68372-5acf-4fe5-8a7a-239847fbb956 | mp-25954 | Move the atom at index 27 by [-0.884 2.066 -1.172] angstrom in the cif file. | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Co6P6O24
_chemical_formula_sum "Co6 P6 O24"
_cell_length_a 7.44144799
_cell_length_b 7.441447990000001
_cell_length_c 9.372664
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999993
_space_group_name_H-M_alt ... |
MoveAtomAction | 66455a9a-105e-41bb-96e7-d41e550d1c66 | mp-15203 | Move the atom at index 48 by [-2.502 1.043 -1.924] angstrom 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 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... |
MoveAtomAction | fe3118a1-3bd9-46f0-afca-b82fc8b59aac | mp-1238897 | Move the atom at index 19 by [ 2.733 -1.503 1.085] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... | data_image0
_chemical_formula_structural Ti4Cr4Ag4S16
_chemical_formula_sum "Ti4 Cr4 Ag4 S16"
_cell_length_a 6.475615
_cell_length_b 7.69109295
_cell_length_c 12.85135469
_cell_angle_alpha 98.47946294
_cell_angle_beta 95.52817443
_cell_angle_gamma 89.94978949999998
_space... |
MoveAtomAction | 28ac13e0-8942-475f-b9d5-c54b3ee10f41 | mp-1182197 | Move the atom at index 5 by [-1.125 0.889 -0.386] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Nd4Mn4O12
_chemical_formula_sum "Nd4 Mn4 O12"
_cell_length_a 14.392943
_cell_length_b 14.078227
_cell_length_c 19.90936595
_cell_angle_alpha 87.88079187
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 3cc3abcb-70db-48db-8d0e-e91ba8476aa9 | mp-2240397 | Move the atom at index 1 by [ 3.92 0.026 -1.114] angstrom in the cif file. | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... | data_image0
_chemical_formula_structural MgCd2Bi2O6
_chemical_formula_sum "Mg1 Cd2 Bi2 O6"
_cell_length_a 5.56458951
_cell_length_b 7.0200275
_cell_length_c 5.771075549999999
_cell_angle_alpha 63.13246041999998
_cell_angle_beta 117.61251132
_cell_angle_gamma 114.96516471
... |
MoveAtomAction | 26311531-4c34-4ff1-8679-7676c2f377b1 | mp-38090 | Move the atom at index 0 by [-2.914 1.095 -0.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... |
MoveAtomAction | 5508fdfd-e152-4c81-b637-472224b1ebff | mp-758717 | Move the atom at index 34 by [1.017 1.924 2.646] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li2Co4C8O24
_chemical_formula_sum "Li2 Co4 C8 O24"
_cell_length_a 9.550868
_cell_length_b 7.455839
_cell_length_c 8.43336493
_cell_angle_alpha 70.41666927999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 77f6ee4f-46c8-4957-ab46-101cde1f75a0 | mp-1227255 | Move the atom at index 9 by [ 4.756 -3.361 -1.429] angstrom in the cif file. | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... | data_image0
_chemical_formula_structural CaCeV2O8
_chemical_formula_sum "Ca1 Ce1 V2 O8"
_cell_length_a 6.07941717
_cell_length_b 6.07941717
_cell_length_c 6.07941717
_cell_angle_alpha 106.24416571
_cell_angle_beta 106.24416571
_cell_angle_gamma 116.1381804
_space_group_na... |
MoveAtomAction | 9a01fa39-8647-4b68-9370-169f7c291b28 | mp-8597 | Move the atom at index 25 by [-1.532 -2.558 -0.049] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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 Sc8B16C8
_chemical_formula_sum "Sc8 B16 C8"
_cell_length_a 6.645555
_cell_length_b 6.645555
_cell_length_c 6.792191
_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... |
MoveAtomAction | 15da9f2d-1cf2-4a02-b75d-a435e42607b1 | mp-975336 | Move the atom at index 3 by [3.766 2.076 2.393] angstrom in the cif file. | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural K4C4S4N4
_chemical_formula_sum "K4 C4 S4 N4"
_cell_length_a 6.479805
_cell_length_b 6.515581
_cell_length_c 11.139016
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAtomAction | ee37f141-1fa0-412c-85d0-ab14dda6dd02 | mp-1200515 | Move the atom at index 2 by [-0.172 -0.197 -1.025] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... | data_image0
_chemical_formula_structural Tb20Si16
_chemical_formula_sum "Tb20 Si16"
_cell_length_a 7.48899009
_cell_length_b 7.70841404
_cell_length_c 14.64288919
_cell_angle_alpha 90.00000779999999
_cell_angle_beta 90.00552247
_cell_angle_gamma 89.99549034
_space_group_n... |
MoveAtomAction | a465ae31-7532-4447-a2f1-e754630ebcd4 | mp-25278 | Move the atom at index 11 by [4.175 0.333 2.404] angstrom in the cif file. | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... | data_image0
_chemical_formula_structural V4S6O24
_chemical_formula_sum "V4 S6 O24"
_cell_length_a 7.71633737
_cell_length_b 7.71633737
_cell_length_c 8.66907844
_cell_angle_alpha 69.74449301
_cell_angle_beta 69.74449301
_cell_angle_gamma 64.83981922
_space_group_name_H-M_... |
MoveAtomAction | a5b23c20-f65d-4013-b5f8-fb800c7fe7ff | mp-1193266 | Move the atom at index 18 by [-1.75 1.136 1.006] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... | data_image0
_chemical_formula_structural Al2H16C6N2Cl4
_chemical_formula_sum "Al2 H16 C6 N2 Cl4"
_cell_length_a 7.72663858
_cell_length_b 8.14007427
_cell_length_c 8.848356060000002
_cell_angle_alpha 90.03241481
_cell_angle_beta 64.76788259
_cell_angle_gamma 68.08843374
_... |
MoveAtomAction | 71fcccf7-6c54-4cbf-b219-d780633b6c1f | mp-755587 | Move the atom at index 9 by [ 0.498 -1.842 1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural V4O6F2
_chemical_formula_sum "V4 O6 F2"
_cell_length_a 4.62679008
_cell_length_b 4.62679008
_cell_length_c 5.93686769
_cell_angle_alpha 89.99986978
_cell_angle_beta 90.00013022
_cell_angle_gamma 94.82482528
_space_group_name_H-M_al... |
MoveAtomAction | c4197e26-a2ec-4de3-b8fe-d481d20d7f4c | mp-1103272 | Move the atom at index 2 by [4.559 1.417 2.325] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_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 Zr4Si4Ni4
_chemical_formula_sum "Zr4 Si4 Ni4"
_cell_length_a 3.79803846
_cell_length_b 6.46622311
_cell_length_c 7.25348711
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
MoveAtomAction | 044a1160-c795-4ed2-b299-9110d4b0d64f | mp-563041 | Move the atom at index 41 by [ 2.096 2.097 -1.83 ] angstrom in the cif file. | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... | data_image0
_chemical_formula_structural K2V6Cu10O26
_chemical_formula_sum "K2 V6 Cu10 O26"
_cell_length_a 6.151583
_cell_length_b 8.30599131
_cell_length_c 10.90224523
_cell_angle_alpha 97.90928123
_cell_angle_beta 92.74881973
_cell_angle_gamma 90.59062806
_space_group_n... |
MoveAtomAction | 4550ba64-e231-488d-b6f2-14f00c2fa7ed | mp-866709 | Move the atom at index 4 by [ 0.016 0.345 -1.059] angstrom in the cif file. | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K4Cr2H4F16
_chemical_formula_sum "K4 Cr2 H4 F16"
_cell_length_a 8.101164
_cell_length_b 5.348595
_cell_length_c 8.42657027
_cell_angle_alpha 87.32804317
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | f46dda52-c25b-4eb6-93e9-d73cd05aad3c | mp-756511 | Move the atom at index 25 by [-2.169 4.4 2.291] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_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 Li4V4B4O16
_chemical_formula_sum "Li4 V4 B4 O16"
_cell_length_a 3.113953
_cell_length_b 9.087917
_cell_length_c 9.415044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | b8d45206-bafc-4fca-9973-ae1ba8242eda | mp-1195233 | Move the atom at index 82 by [-3.212 1.221 -0.069] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... | data_image0
_chemical_formula_structural Al2Zn2B10H40C10N10O20
_chemical_formula_sum "Al2 Zn2 B10 H40 C10 N10 O20"
_cell_length_a 7.554322
_cell_length_b 9.3066998
_cell_length_c 13.97318333
_cell_angle_alpha 77.59534267
_cell_angle_beta 76.60262579
_cell_angle_gamma 68.03... |
MoveAtomAction | 0140d422-617b-4adf-96d2-17f4771336c4 | mp-3855 | Move the atom at index 0 by [ 4.512 -3.327 -3.192] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Na8Be4F16
_chemical_formula_sum "Na8 Be4 F16"
_cell_length_a 7.91401356
_cell_length_b 5.50453165
_cell_length_c 8.73089148
_cell_angle_alpha 61.61105424
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 7f1b9991-a6fd-44ce-b504-26633af5b7c9 | mp-771123 | Move the atom at index 26 by [1.192 0.594 0.028] angstrom in the cif file. | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sc6Fe6O18
_chemical_formula_sum "Sc6 Fe6 O18"
_cell_length_a 5.84717964
_cell_length_b 5.84717964
_cell_length_c 11.581486
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999588000001
_space_group_name_H-M_alt ... |
MoveAtomAction | 64299222-c117-4b12-87d8-ffc993a67802 | mp-673347 | Move the atom at index 13 by [ 0.216 -1.716 1.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... | data_image0
_chemical_formula_structural Nb4H4O12
_chemical_formula_sum "Nb4 H4 O12"
_cell_length_a 6.745082
_cell_length_b 6.77872734
_cell_length_c 6.78036756
_cell_angle_alpha 110.05932264
_cell_angle_beta 108.24881913
_cell_angle_gamma 109.8068904
_space_group_name_H-... |
MoveAtomAction | 8f57736c-dc3c-42a4-a3c1-0d824245350b | mp-1214900 | Move the atom at index 79 by [-0.256 0.019 0.516] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAtomAction | 4579088b-d195-4885-bf23-e985cff962f7 | mp-1247313 | Move the atom at index 9 by [-0.199 -4.963 -2.46 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... | data_image0
_chemical_formula_structural Zn16Ag4N12
_chemical_formula_sum "Zn16 Ag4 N12"
_cell_length_a 7.08364552
_cell_length_b 6.79057865
_cell_length_c 11.30124314
_cell_angle_alpha 92.11266917
_cell_angle_beta 94.26143464
_cell_angle_gamma 122.26437455999998
_space_g... |
MoveAtomAction | a67e4118-0849-43a9-9e76-ac9708e05b24 | mp-584637 | Move the atom at index 5 by [0.2 0.513 0.086] angstrom in the cif file. | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... | data_image0
_chemical_formula_structural Cr2P6O18
_chemical_formula_sum "Cr2 P6 O18"
_cell_length_a 6.61072228
_cell_length_b 6.610690540000001
_cell_length_c 9.672113889999999
_cell_angle_alpha 90.16251924
_cell_angle_beta 90.16212703
_cell_angle_gamma 60.09514252999999
... |
MoveAtomAction | 8805d72a-c691-4fe8-a009-f1aa367faf75 | mp-1224658 | Move the atom at index 39 by [ 4.578 -1.84 1.222] angstrom in the cif file. | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Ho4Fe34C2
_chemical_formula_sum "Ho4 Fe34 C2"
_cell_length_a 8.249865
_cell_length_b 8.5140411
_cell_length_c 8.53877109
_cell_angle_alpha 119.90410991000002
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 9668b726-1ea0-49e6-bd15-8c18448fea9d | mp-1102237 | Move the atom at index 2 by [-1.522 5.23 -2.126] angstrom in the cif file. | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... | data_image0
_chemical_formula_structural Lu2Ga8Fe
_chemical_formula_sum "Lu2 Ga8 Fe1"
_cell_length_a 4.246767
_cell_length_b 4.246767
_cell_length_c 10.958662
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gro... |
MoveAtomAction | c3aebe3f-bb59-4d6b-91f5-e43f642aaf8b | mp-769018 | Move the atom at index 38 by [ 0.646 -0.051 1.482] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li4Fe8S12O48
_chemical_formula_sum "Li4 Fe8 S12 O48"
_cell_length_a 8.81743
_cell_length_b 8.529569
_cell_length_c 14.69161559
_cell_angle_alpha 55.572251030000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | fe32aa8d-86bd-4582-a231-a94f545416e9 | mp-1193362 | Move the atom at index 3 by [ 0.555 1.934 -0.693] angstrom in the cif file. | data_image0
_chemical_formula_structural Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_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 Ce12Se12N4
_chemical_formula_sum "Ce12 Se12 N4"
_cell_length_a 4.18293152
_cell_length_b 12.8179042
_cell_length_c 13.46158808
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 4d9f714c-577a-44e4-944e-3ee954fa9114 | mp-1227612 | Move the atom at index 17 by [1.905 0.714 0.135] angstrom in the cif file. | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... | data_image0
_chemical_formula_structural La18In10Se42
_chemical_formula_sum "La18 In10 Se42"
_cell_length_a 12.60651707
_cell_length_b 12.606517070000002
_cell_length_c 12.6065167
_cell_angle_alpha 96.01231212
_cell_angle_beta 96.01231212
_cell_angle_gamma 96.0123094
_spa... |
MoveAtomAction | e4a0e8db-94e1-4907-af44-9c4140bd9df4 | mp-757196 | Move the atom at index 1 by [-1.379 -1.208 -3.205] angstrom in the cif file. | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... | data_image0
_chemical_formula_structural Hg4W4O14
_chemical_formula_sum "Hg4 W4 O14"
_cell_length_a 5.314241
_cell_length_b 8.55690931
_cell_length_c 9.0940042
_cell_angle_alpha 105.56429948000002
_cell_angle_beta 105.92332113
_cell_angle_gamma 97.42922239
_space_group_na... |
MoveAtomAction | a8bd44c3-0d90-4482-a422-4aa59de27fa4 | mp-1191504 | Move the atom at index 12 by [-0.516 0.436 -0.679] angstrom in the cif file. | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Fe2S4N2O16
_chemical_formula_sum "Fe2 S4 N2 O16"
_cell_length_a 4.89555972
_cell_length_b 4.89555972
_cell_length_c 16.71673
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999619
_space_group_name_H-M_alt "... |
MoveAtomAction | 2b48710b-aa75-49b2-b8f8-c58b7b0b3b89 | mp-771953 | Move the atom at index 17 by [ 3.776 -1.931 -2.603] angstrom 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 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 ... |
MoveAtomAction | 0bd3a488-c551-4c6a-af0e-82d56ef4a047 | mp-603241 | Move the atom at index 1 by [-0.485 1.245 0.58 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... | data_image0
_chemical_formula_structural Ba4Fe4Si16O40
_chemical_formula_sum "Ba4 Fe4 Si16 O40"
_cell_length_a 10.88788597
_cell_length_b 10.88786546
_cell_length_c 11.1371523
_cell_angle_alpha 60.73805768
_cell_angle_beta 119.26190498999999
_cell_angle_gamma 89.99986976
... |
MoveAtomAction | 5c4d9ec3-cb25-4cd7-a2a1-86058d5c8101 | mp-755663 | Move the atom at index 21 by [-1.435 -1.552 0.125] angstrom in the cif file. | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Ta4Pb4O14
_chemical_formula_sum "Ta4 Pb4 O14"
_cell_length_a 13.63450404
_cell_length_b 13.63450404
_cell_length_c 5.8182024
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 163.23215469999997
_space_group_name_H-M_al... |
MoveAtomAction | 8f1d466e-f226-44ea-bac3-9f8f24f2a768 | mp-1644899 | Move the atom at index 11 by [ 1.384 1.227 -1.394] angstrom in the cif file. | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... | data_image0
_chemical_formula_structural Li6V4C8O24
_chemical_formula_sum "Li6 V4 C8 O24"
_cell_length_a 7.66037472
_cell_length_b 7.65804484
_cell_length_c 8.93045906
_cell_angle_alpha 106.1839728
_cell_angle_beta 106.37065208
_cell_angle_gamma 72.72422425
_space_group_n... |
MoveAtomAction | 27834006-1add-4889-b6fc-f787fa2347a1 | mp-731799 | Move the atom at index 30 by [-0.837 -1.402 -1.63 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... | data_image0
_chemical_formula_structural Mg12C6Cl6O36
_chemical_formula_sum "Mg12 C6 Cl6 O36"
_cell_length_a 7.518464
_cell_length_b 13.36744087
_cell_length_c 13.44225658
_cell_angle_alpha 116.23411858999998
_cell_angle_beta 100.70271424
_cell_angle_gamma 100.870698739999... |
MoveAtomAction | 7c9e04c9-bb39-41f6-81bf-1ef130f9bc27 | mp-1233509 | Move the atom at index 0 by [ 1.483 0.029 -1.736] angstrom in the cif file. | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural CaSm4Tm4O12
_chemical_formula_sum "Ca1 Sm4 Tm4 O12"
_cell_length_a 6.15719197
_cell_length_b 8.540944
_cell_length_c 5.87282362
_cell_angle_alpha 90.0
_cell_angle_beta 90.73624520999999
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
MoveAtomAction | d478eb3f-108d-4ae6-95f0-b019797d195b | mp-2230445 | Move the atom at index 0 by [-1.19 1.498 2.473] angstrom in the cif file. | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... | data_image0
_chemical_formula_structural MgMn6O7F5
_chemical_formula_sum "Mg1 Mn6 O7 F5"
_cell_length_a 5.1158998
_cell_length_b 7.606077739999999
_cell_length_c 5.84774966
_cell_angle_alpha 94.61415666
_cell_angle_beta 83.67986341
_cell_angle_gamma 93.05168575
_space_gro... |
MoveAtomAction | 52a8368a-f9c0-4454-8ad0-5ce61895068f | mp-1033378 | Move the atom at index 11 by [-1.499 -1.298 -1.265] angstrom in the cif file. | data_image0
_chemical_formula_structural Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_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 Mg6CrBiO8
_chemical_formula_sum "Mg6 Cr1 Bi1 O8"
_cell_length_a 9.14803218
_cell_length_b 4.48557092
_cell_length_c 4.48557092
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 6ba4e128-2ab0-4b9d-b5e8-04f94dc4df57 | mp-555231 | Move the atom at index 10 by [-1.06 1.533 2.129] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... | data_image0
_chemical_formula_structural Ba6Bi4P8O32
_chemical_formula_sum "Ba6 Bi4 P8 O32"
_cell_length_a 11.31972441
_cell_length_b 11.31972441
_cell_length_c 8.859109460000003
_cell_angle_alpha 71.80341612
_cell_angle_beta 71.80341612
_cell_angle_gamma 46.15737832999998... |
MoveAtomAction | 4fc3d42a-7afe-4a96-b622-d9e276d6aa3b | mp-1175381 | Move the atom at index 10 by [-1.264 0.714 -1.464] angstrom in the cif file. | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... | data_image0
_chemical_formula_structural Li9Co7O16
_chemical_formula_sum "Li9 Co7 O16"
_cell_length_a 4.85598167
_cell_length_b 5.654774270000001
_cell_length_c 9.73929776
_cell_angle_alpha 89.33676523
_cell_angle_beta 99.52640282
_cell_angle_gamma 106.64988519
_space_gro... |
MoveAtomAction | 06db3a4e-b7c3-433d-a868-a3363fa66842 | mp-1523289 | Move the atom at index 6 by [ 5.001 -0.064 2.803] angstrom in the cif file. | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... | data_image0
_chemical_formula_structural BaCaSn4O12
_chemical_formula_sum "Ba1 Ca1 Sn4 O12"
_cell_length_a 5.80842052
_cell_length_b 5.808420519999999
_cell_length_c 8.17261522
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.94865429999999
_space_group_n... |
MoveAtomAction | f976375a-2e8f-47b5-94fc-cdc37bb9db9a | mp-607917 | Move the atom at index 1 by [0.696 2.495 1.259] angstrom in the cif file. | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural La21Fe8Sn7C12
_chemical_formula_sum "La21 Fe8 Sn7 C12"
_cell_length_a 11.6435625
_cell_length_b 11.6435625
_cell_length_c 11.643562499999998
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma ... |
MoveAtomAction | 242cc45a-c276-4b01-bd12-0d2605d97588 | mp-759596 | Move the atom at index 32 by [-6.993 1.181 -2.848] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... | data_image0
_chemical_formula_structural Li4Bi4P8O28
_chemical_formula_sum "Li4 Bi4 P8 O28"
_cell_length_a 5.614483
_cell_length_b 8.909416
_cell_length_c 14.112306079999998
_cell_angle_alpha 59.75628626999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name... |
MoveAtomAction | 0b45d571-9938-4db5-9aa4-6b202134e124 | mp-1207656 | Move the atom at index 30 by [-1.678 -3.453 -2.06 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Y4Pt4F28
_chemical_formula_sum "Y4 Pt4 F28"
_cell_length_a 5.41969803
_cell_length_b 8.78192589
_cell_length_c 11.88004866
_cell_angle_alpha 62.30397471
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | 7fbedfe1-17f4-48ad-aee1-4d45a0abebc1 | mp-1227411 | Move the atom at index 16 by [ 0.773 -0.165 1.69 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... | data_image0
_chemical_formula_structural Ba2Sr2Ni2W2O12
_chemical_formula_sum "Ba2 Sr2 Ni2 W2 O12"
_cell_length_a 5.73439911
_cell_length_b 5.73435315
_cell_length_c 9.9321412
_cell_angle_alpha 73.22091339
_cell_angle_beta 90.00004487000001
_cell_angle_gamma 59.99966143999... |
MoveAtomAction | 130aab10-d745-4820-8a6a-61217c7cce4a | mp-1111394 | Move the atom at index 8 by [-0.342 -0.355 0.066] angstrom in the cif file. | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural CsRb2IrF6
_chemical_formula_sum "Cs1 Rb2 Ir1 F6"
_cell_length_a 6.78428369
_cell_length_b 6.78428369
_cell_length_c 6.78428369
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAtomAction | 34814777-ad32-4223-b4e5-18dc79ebdd92 | mp-30902 | Move the atom at index 8 by [ 1.488 -0.754 1.768] angstrom in the cif file. | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Er4Ru4O14
_chemical_formula_sum "Er4 Ru4 O14"
_cell_length_a 7.187319
_cell_length_b 7.187319
_cell_length_c 7.187318999999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... |
MoveAtomAction | f6b9299e-7cee-4496-bed7-25c421037c61 | mp-772438 | Move the atom at index 37 by [ 3.009 2.966 -0.744] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Li8Co8P8O32
_chemical_formula_sum "Li8 Co8 P8 O32"
_cell_length_a 10.70056
_cell_length_b 5.706775
_cell_length_c 9.91070808
_cell_angle_alpha 88.30664252999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
MoveAtomAction | 99ef49a3-b847-43a4-ada3-56ef9296ff79 | mp-1209996 | Move the atom at index 14 by [-2.303 -0.642 -0.49 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... | data_image0
_chemical_formula_structural Nd4Mo4O8
_chemical_formula_sum "Nd4 Mo4 O8"
_cell_length_a 7.63330738
_cell_length_b 7.63330738
_cell_length_c 7.63330738
_cell_angle_alpha 129.93531083
_cell_angle_beta 129.93531083
_cell_angle_gamma 73.51020212
_space_group_name_... |
MoveAtomAction | 42e12f6f-d332-4fc5-96eb-606a9e1c083c | mp-1239200 | Move the atom at index 22 by [ 0.432 -0.417 4.566] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_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 Na8Cr16S32
_chemical_formula_sum "Na8 Cr16 S32"
_cell_length_a 11.588982
_cell_length_b 7.263585
_cell_length_c 12.057199
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | d0d8627f-d0d2-42c0-9d7a-e160a492df95 | mp-1110899 | Move the atom at index 5 by [ 1.544 -2.317 -1.208] angstrom in the cif file. | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural K2LiSbBr6
_chemical_formula_sum "K2 Li1 Sb1 Br6"
_cell_length_a 7.82342236
_cell_length_b 7.82342236
_cell_length_c 7.823422360000001
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
MoveAtomAction | be581b0d-ce81-45d1-be42-c5ceb1c6f488 | mp-760242 | Move the atom at index 3 by [-2.142 1.915 -1.693] angstrom in the cif file. | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... | data_image0
_chemical_formula_structural Li2V2O2F8
_chemical_formula_sum "Li2 V2 O2 F8"
_cell_length_a 5.401869
_cell_length_b 5.69685013
_cell_length_c 7.03443399
_cell_angle_alpha 104.48111898
_cell_angle_beta 96.25876045999999
_cell_angle_gamma 112.17030088
_space_grou... |
MoveAtomAction | 729efa48-43a3-4bf0-aa5c-3108b85d3f0e | mp-767720 | Move the atom at index 17 by [-0.893 -0.821 -1.435] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... | data_image0
_chemical_formula_structural Li4V8Si8O26
_chemical_formula_sum "Li4 V8 Si8 O26"
_cell_length_a 6.939269
_cell_length_b 8.01079086
_cell_length_c 10.37522651
_cell_angle_alpha 67.56335181999998
_cell_angle_beta 80.59947301
_cell_angle_gamma 77.53752448
_space_g... |
MoveAtomAction | fe3ad1e9-5e17-4e84-af12-332719fdd3b8 | mp-560925 | Move the atom at index 15 by [ 0.687 1.408 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Na10Fe6F28
_chemical_formula_sum "Na10 Fe6 F28"
_cell_length_a 7.428808
_cell_length_b 7.528727
_cell_length_c 12.87864626
_cell_angle_alpha 55.22259577
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
MoveAtomAction | cec4f7e1-83da-4aed-b488-d52b43c8dca0 | mp-1221912 | Move the atom at index 8 by [ 0.41 -2.959 1.334] angstrom 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 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... |
MoveAtomAction | 90599fbc-a269-41b1-91ea-65a79f5cb514 | mp-1223870 | Move the atom at index 10 by [ 1.095 -1.785 1.965] angstrom in the cif file. | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Hf4Al6Pd2
_chemical_formula_sum "Hf4 Al6 Pd2"
_cell_length_a 5.29472706
_cell_length_b 5.29472706
_cell_length_c 8.31552766
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000427000002
_space_group_name_H-M_alt... |
MoveAtomAction | a60e77f4-f1f1-4bdf-b518-1f4e62bf5bc0 | mp-8876 | Move the atom at index 12 by [ 0.632 -4.594 2.425] angstrom in the cif file. | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... | data_image0
_chemical_formula_structural Ca4Al6SO12
_chemical_formula_sum "Ca4 Al6 S1 O12"
_cell_length_a 7.87792826
_cell_length_b 7.87792826
_cell_length_c 7.87792826
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_grou... |
MoveAtomAction | 53507712-d03b-4eac-9b81-880c62ed35c3 | mp-1180875 | Move the atom at index 4 by [4.642 0.916 0.145] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Mn2N12O32
_chemical_formula_sum "Mn2 N12 O32"
_cell_length_a 6.834622
_cell_length_b 9.156219
_cell_length_c 13.35670917
_cell_angle_alpha 64.60164224
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
MoveAtomAction | 829d1a8e-a919-4df6-b9b4-5f202ccc28fd | mp-1204905 | Move the atom at index 30 by [-2.6 0.078 2.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... | data_image0
_chemical_formula_structural Y4Al6Co28
_chemical_formula_sum "Y4 Al6 Co28"
_cell_length_a 8.3658884
_cell_length_b 8.3658884
_cell_length_c 8.173345
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.0000032
_space_group_name_H-M_alt "P 1"
_... |
MoveAtomAction | 0cb75fb3-d018-4f52-8a92-299b87786e18 | mp-1305320 | Move the atom at index 24 by [-0.507 2.028 2.322] angstrom in the cif file. | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... | data_image0
_chemical_formula_structural Li16Co2O10F2
_chemical_formula_sum "Li16 Co2 O10 F2"
_cell_length_a 5.29848206
_cell_length_b 10.55721191
_cell_length_c 5.43920368
_cell_angle_alpha 104.69546631
_cell_angle_beta 65.38784396
_cell_angle_gamma 92.99284474
_space_gr... |
MoveAtomAction | 250b3fd2-8c69-45cb-a69e-b04a2b80eae7 | mp-1113545 | Move the atom at index 2 by [1.134 0.812 2.214] angstrom in the cif file. | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... | data_image0
_chemical_formula_structural Rb2HgAsI6
_chemical_formula_sum "Rb2 Hg1 As1 I6"
_cell_length_a 8.49309349
_cell_length_b 8.49309349
_cell_length_c 8.49309349
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999999... |
MoveAtomAction | 0d7dcd92-de6a-4460-9840-baa993dc229f | mp-776358 | Move the atom at index 4 by [ 0.433 0.982 -0.477] angstrom in the cif file. | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... | data_image0
_chemical_formula_structural Li8Mn4C8S2O32
_chemical_formula_sum "Li8 Mn4 C8 S2 O32"
_cell_length_a 9.68366697
_cell_length_b 9.49456407
_cell_length_c 9.36586872
_cell_angle_alpha 61.78178144999998
_cell_angle_beta 59.76256551999999
_cell_angle_gamma 58.455653... |
MoveAtomAction | 26ba6b26-326a-4101-a92a-637686bce09f | mp-26721 | Move the atom at index 15 by [ 1.941 -1.861 0.961] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Li4Nb2P4O16
_chemical_formula_sum "Li4 Nb2 P4 O16"
_cell_length_a 5.147372
_cell_length_b 7.732942250000001
_cell_length_c 8.169266
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 93.86321496
_space_group_name_H-M_al... |
MoveAtomAction | eb552ab6-ec9d-4192-870a-17998a608408 | mp-1197552 | Move the atom at index 2 by [ 0.295 -0.006 1.592] angstrom in the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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 U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_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... |
MoveAtomAction | 57764cc0-02ed-455e-9468-ed30b71deaff | mp-861986 | Move the atom at index 6 by [ 0.612 -4.011 -1.643] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... | data_image0
_chemical_formula_structural Pr10Al4Ru6
_chemical_formula_sum "Pr10 Al4 Ru6"
_cell_length_a 8.57985719
_cell_length_b 8.57985719
_cell_length_c 8.57985719
_cell_angle_alpha 109.47122063
_cell_angle_beta 109.47122063
_cell_angle_gamma 109.47122063
_space_group_... |
MoveAtomAction | 9ca2cf34-d1ba-4a17-8770-206ae9c28cc4 | mp-1355331 | Move the atom at index 26 by [-4.238 -2.931 -2.181] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... | data_image0
_chemical_formula_structural Sr6H10Os4O16
_chemical_formula_sum "Sr6 H10 Os4 O16"
_cell_length_a 5.877961
_cell_length_b 9.943458519999998
_cell_length_c 10.79790845
_cell_angle_alpha 116.61953445
_cell_angle_beta 87.11798931999999
_cell_angle_gamma 106.6839357... |
MoveAtomAction | 2312b0fc-d817-463b-92c4-05fab0cd1c64 | mp-756284 | Move the atom at index 3 by [0.982 0.519 0.212] angstrom in the cif file. | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... | data_image0
_chemical_formula_structural Li4Co4B4O12
_chemical_formula_sum "Li4 Co4 B4 O12"
_cell_length_a 3.11646909
_cell_length_b 9.157085840000002
_cell_length_c 9.38489997
_cell_angle_alpha 89.99324704
_cell_angle_beta 90.64960494
_cell_angle_gamma 89.45897561
_space... |
MoveAtomAction | c1ddd5e8-271d-494b-8098-995ea7c93ae5 | mp-1202862 | Move the atom at index 34 by [-1.481 1.205 0.684] angstrom in the cif file. | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Co4S12N12O8
_chemical_formula_sum "Co4 S12 N12 O8"
_cell_length_a 15.606677
_cell_length_b 6.367947
_cell_length_c 7.57317343
_cell_angle_alpha 76.70725749
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
MoveAtomAction | 2c2e04ba-3bbc-48fe-88fc-377f34b5d44b | mp-1209468 | Move the atom at index 3 by [ 0.366 0.091 -1.094] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... | data_image0
_chemical_formula_structural Pr8Rh2
_chemical_formula_sum "Pr8 Rh2"
_cell_length_a 7.95426398
_cell_length_b 7.95426398
_cell_length_c 7.95426398
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
_space_... |
MoveAtomAction | f36f3867-e10d-46d8-9d01-cc9c8e13480f | mp-1207687 | Move the atom at index 8 by [-0.357 2.527 1.525] angstrom in the cif file. | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Zr8In12
_chemical_formula_sum "Zr8 In12"
_cell_length_a 6.867919
_cell_length_b 6.867919
_cell_length_c 11.447915710000002
_cell_angle_alpha 107.45542208
_cell_angle_beta 107.45542208
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
MoveAtomAction | 3f741556-7e80-4eeb-a17b-ffa2562ee198 | mp-1213028 | Move the atom at index 9 by [ 1.13 0.509 -3.735] angstrom in the cif file. | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural ErMn6Sn4Ge2
_chemical_formula_sum "Er1 Mn6 Sn4 Ge2"
_cell_length_a 5.3464204
_cell_length_b 5.3464204
_cell_length_c 8.664624
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000494
_space_group_name_H-M_alt ... |
MoveAtomAction | add12c73-f896-41be-9c88-0a232206730d | mp-771449 | Move the atom at index 20 by [ 1.423 2.362 -1.897] angstrom in the cif file. | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... | data_image0
_chemical_formula_structural Mn8P4O20
_chemical_formula_sum "Mn8 P4 O20"
_cell_length_a 6.06590547
_cell_length_b 7.30265316
_cell_length_c 8.43159788
_cell_angle_alpha 105.7104987
_cell_angle_beta 88.4740915
_cell_angle_gamma 99.33702759999998
_space_group_na... |
MoveAtomAction | 5ea313b0-d49c-49db-a155-8f1e5c611789 | mp-28507 | Move the atom at index 59 by [-0.243 1.186 -0.201] angstrom in the cif file. | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural La16Nb14S44
_chemical_formula_sum "La16 Nb14 S44"
_cell_length_a 16.39108437
_cell_length_b 16.39108437
_cell_length_c 5.8438245
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.68789976
_space_group_name_H-M_alt ... |
MoveAtomAction | fc906ef7-245f-42ec-aef2-44b553d760ff | mp-31486 | Move the atom at index 0 by [-0.731 -2.462 -0.431] angstrom in the cif file. | data_image0
_chemical_formula_structural K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_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 K8Sn4Bi4
_chemical_formula_sum "K8 Sn4 Bi4"
_cell_length_a 6.58790816
_cell_length_b 6.81610235
_cell_length_c 13.44613075
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
MoveAtomAction | 385133e4-4aa3-4aae-b7a2-8c9e9efb60d9 | mp-557123 | Move the atom at index 21 by [1.837 2.668 1.429] angstrom in the cif file. | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na8Cu4Si12O32
_chemical_formula_sum "Na8 Cu4 Si12 O32"
_cell_length_a 10.410557
_cell_length_b 8.012812
_cell_length_c 9.73027488
_cell_angle_alpha 74.34396582
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
MoveAtomAction | 9fd40738-6097-4e06-baf7-c6eabd3bd514 | mp-554002 | Move the atom at index 8 by [ 0.86 -1.163 -0.214] angstrom in the cif file. | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Al2H6O6
_chemical_formula_sum "Al2 H6 O6"
_cell_length_a 4.959562
_cell_length_b 5.14807988
_cell_length_c 5.19558482
_cell_angle_alpha 103.44678532
_cell_angle_beta 98.72321195
_cell_angle_gamma 118.00210368
_space_group_name_H-M_... |
MoveAtomAction | dcf11c49-d47a-4f71-91ce-cfca9cb37bca | mp-1214900 | Move the atom at index 15 by [ 1.191 -1.529 -0.281] angstrom in the cif file. | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... | data_image0
_chemical_formula_structural B4C48Cl4F40
_chemical_formula_sum "B4 C48 Cl4 F40"
_cell_length_a 6.496112
_cell_length_b 14.75944
_cell_length_c 16.981840949999995
_cell_angle_alpha 57.459768459999985
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
MoveAtomAction | ef3f7c74-c423-4ed5-84a3-49227945d0e9 | mp-1227442 | Move the atom at index 8 by [-1.301 -0.856 -3.882] angstrom in the cif file. | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... | data_image0
_chemical_formula_structural Be2BH3O5
_chemical_formula_sum "Be2 B1 H3 O5"
_cell_length_a 4.41713532
_cell_length_b 4.43574167
_cell_length_c 5.27555646
_cell_angle_alpha 92.43461318
_cell_angle_beta 89.13916789
_cell_angle_gamma 119.89439418000002
_space_grou... |
MoveAtomAction | 760e776c-e9df-451b-8ec7-984c51e112f3 | mp-1191389 | Move the atom at index 1 by [ 1.564 -0.517 2.819] angstrom in the cif file. | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... | data_image0
_chemical_formula_structural Pr4V4O16
_chemical_formula_sum "Pr4 V4 O16"
_cell_length_a 6.66898717
_cell_length_b 6.9885765200000005
_cell_length_c 7.220464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.19302093999998
_space_group_name_H-M... |
MoveAtomAction | 90b12098-8fc3-401c-8e0b-63426396f8c3 | mp-1220625 | Move the atom at index 9 by [-1.107 1.46 2.162] angstrom in the cif file. | data_image0
_chemical_formula_structural Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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 Nd4Si7
_chemical_formula_sum "Nd4 Si7"
_cell_length_a 3.267497
_cell_length_b 5.589329
_cell_length_c 15.816714
_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_... |
MoveAtomAction | 9be7456d-3221-44df-b35f-ce34931a2d63 | mp-2452 | Move the atom at index 7 by [ 1.014 -2.258 3.012] angstrom 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 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... |
MoveAtomAction | 0dae3e92-5fb8-4699-8a4c-660bcea82568 | mp-6564 | Move the atom at index 10 by [ 1.911 -0.48 0.647] angstrom in the cif file. | data_image0
_chemical_formula_structural Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_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 Sr4Mg2Si4O14
_chemical_formula_sum "Sr4 Mg2 Si4 O14"
_cell_length_a 8.09718
_cell_length_b 8.09718
_cell_length_c 5.22654
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
MoveAtomAction | 29b7f1a8-a9e1-46ed-a1c6-c30b9ea9d58b | mp-19984 | Move the atom at index 17 by [-1.851 3.393 -1.625] angstrom in the cif file. | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural Tb4B16
_chemical_formula_sum "Tb4 B16"
_cell_length_a 8.521227
_cell_length_b 8.521227
_cell_length_c 4.201706
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... |
MoveAtomAction | 6b81331d-8347-482d-bb0f-9f13d9e7c469 | mp-2223123 | Move the atom at index 9 by [ 0.646 -0.831 -1.761] angstrom in the cif file. | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... | data_image0
_chemical_formula_structural MgTe2Mo3Se2S2
_chemical_formula_sum "Mg1 Te2 Mo3 Se2 S2"
_cell_length_a 3.342426
_cell_length_b 3.34251085
_cell_length_c 30.961906
_cell_angle_alpha 89.99973867
_cell_angle_beta 89.9999588
_cell_angle_gamma 119.99879355000002
_spa... |
MoveAtomAction | 2f28200c-0a09-49fe-890f-a7c2ed8e2313 | mp-1202068 | Move the atom at index 21 by [-0.433 -0.27 2.915] angstrom in the cif file. | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... | data_image0
_chemical_formula_structural Pd2C8S8I4N16
_chemical_formula_sum "Pd2 C8 S8 I4 N16"
_cell_length_a 9.834666
_cell_length_b 8.60705372
_cell_length_c 15.214518379999998
_cell_angle_alpha 57.278849029999996
_cell_angle_beta 71.14343923
_cell_angle_gamma 55.1580721... |
MoveAtomAction | df51bc9d-12e6-46ad-bdec-f95d34097889 | mp-1189241 | Move the atom at index 9 by [-1.657 1.219 1.057] angstrom in the cif file. | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Gd4As8Au4
_chemical_formula_sum "Gd4 As8 Au4"
_cell_length_a 4.04655659
_cell_length_b 4.04655659
_cell_length_c 20.504219
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.1389069
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | 6e589d4b-0577-4b97-89c8-5ea6eeac006d | mp-559738 | Move the atom at index 11 by [-3.261 2.752 0.844] angstrom in the cif file. | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... | data_image0
_chemical_formula_structural Sb8S8N8Cl40
_chemical_formula_sum "Sb8 S8 N8 Cl40"
_cell_length_a 13.73769578
_cell_length_b 13.73769578
_cell_length_c 13.73769578
_cell_angle_alpha 111.41202979
_cell_angle_beta 111.41202979
_cell_angle_gamma 105.65566722000001
_... |
MoveAtomAction | fe4fe4c8-699d-4d1c-98c8-0b905102c897 | mp-1247837 | Move the atom at index 0 by [-2.805 1.046 1.986] angstrom in the cif file. | data_image0
_chemical_formula_structural Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_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 Al16Zn8S32
_chemical_formula_sum "Al16 Zn8 S32"
_cell_length_a 6.159869
_cell_length_b 7.399954
_cell_length_c 26.387573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
MoveAtomAction | ec1eb5c7-5e10-474a-95c4-c25ea89e7445 | mp-1217186 | Move the atom at index 3 by [-2.167 -0.389 -1.801] angstrom in the cif file. | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti3Sn5S12
_chemical_formula_sum "Ti3 Sn5 S12"
_cell_length_a 3.61936051
_cell_length_b 9.1720841
_cell_length_c 13.81562008
_cell_angle_alpha 89.56937859
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
MoveAtomAction | 515fcbfd-cf01-42c8-bcbb-d661096c03ef | mp-561216 | Move the atom at index 13 by [ 1.248 -2.993 -2.419] angstrom in the cif file. | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Cu8Ge8O24
_chemical_formula_sum "Cu8 Ge8 O24"
_cell_length_a 7.73822104
_cell_length_b 7.73822104
_cell_length_c 8.71447
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 100.64867754
_space_group_name_H-M_alt "P 1"... |
MoveAtomAction | a10c351a-fbce-4dea-99e6-3ff1e322768c | mp-1029153 | Move the atom at index 3 by [-0.015 1.33 0.05 ] angstrom in the cif file. | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Te2Mo2W2Se4S2
_chemical_formula_sum "Te2 Mo2 W2 Se4 S2"
_cell_length_a 3.34167077
_cell_length_b 3.34167077
_cell_length_c 38.037908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001524
_space_group_name_H-M_... |
MoveAtomAction | 97274db7-d2c7-4f1e-8477-617403889e57 | mp-1245133 | Move the atom at index 15 by [ 3.574 1.558 -3.817] angstrom in the cif file. | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... | data_image0
_chemical_formula_structural Sn40O40
_chemical_formula_sum "Sn40 O40"
_cell_length_a 11.74637383
_cell_length_b 12.838853849999998
_cell_length_c 11.717428899999998
_cell_angle_alpha 89.04503959
_cell_angle_beta 92.05166865
_cell_angle_gamma 88.32496439999998
... |
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