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 |
|---|---|---|---|---|---|
AddAtomAction | 0ba2cb92-a43d-4cd0-ac33-2cffae87db73 | mp-555962 | Add one Ti atom at the Cartesian coordinate [1.621 3.269 7.279] to the cif file. | data_image0
_chemical_formula_structural Li4Mo4As4O24
_chemical_formula_sum "Li4 Mo4 As4 O24"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural Li4Mo4As4O24Ti
_chemical_formula_sum "Li4 Mo4 As4 O24 Ti1"
_cell_length_a 8.706939
_cell_length_b 5.233513
_cell_length_c 10.498664750000001
_cell_angle_alpha 84.81432494
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 88e85c95-52d1-4c29-8714-cf5783240565 | mp-1308402 | Add one Ra atom at the Cartesian coordinate [ 6.164e+00 -4.000e-03 4.667e+00] to the cif file. | data_image0
_chemical_formula_structural Li4Fe6Te2O16
_chemical_formula_sum "Li4 Fe6 Te2 O16"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61.09403... | data_image0
_chemical_formula_structural Li4Fe6Te2O16Ra
_chemical_formula_sum "Li4 Fe6 Te2 O16 Ra1"
_cell_length_a 6.06333119
_cell_length_b 6.1395649400000005
_cell_length_c 10.50708889
_cell_angle_alpha 106.15201001
_cell_angle_beta 89.82988352000001
_cell_angle_gamma 61... |
AddAtomAction | 4f8839f3-776e-4e4c-8a12-8cf62cecd6d5 | mp-1176443 | Add one Be atom at the Cartesian coordinate [1.449 3.233 4.329] to the cif file. | data_image0
_chemical_formula_structural Mn4Fe4B4O16
_chemical_formula_sum "Mn4 Fe4 B4 O16"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_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 Mn4Fe4B4O16Be
_chemical_formula_sum "Mn4 Fe4 B4 O16 Be1"
_cell_length_a 3.206634
_cell_length_b 9.582481
_cell_length_c 9.674115
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 7e8b96bf-b346-44f2-8605-187015896247 | mp-637866 | Add one La atom at the Cartesian coordinate [4.031 2.515 2.318] to the cif file. | data_image0
_chemical_formula_structural Sc9Ni5Ge8
_chemical_formula_sum "Sc9 Ni5 Ge8"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.442088160000004
... | data_image0
_chemical_formula_structural Sc9Ni5Ge8La
_chemical_formula_sum "Sc9 Ni5 Ge8 La1"
_cell_length_a 11.59931793
_cell_length_b 11.59931793
_cell_length_c 11.59931793
_cell_angle_alpha 160.52948716
_cell_angle_beta 133.95113753999996
_cell_angle_gamma 50.44208816000... |
AddAtomAction | 3d290b58-4b6d-4ea2-93cc-837ded979292 | mp-30447 | Add one Dy atom at the Cartesian coordinate [ 3.504 12.71 18.875] to the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Dy
_chemical_formula_sum "Sr18 Cd8 Bi18 Dy1"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
... |
AddAtomAction | 79e7c09c-f27e-42f9-8aec-f1d70d46542e | mp-608595 | Add one Th atom at the Cartesian coordinate [4.224 1.807 4.853] to the cif file. | data_image0
_chemical_formula_structural Na4Br4O12
_chemical_formula_sum "Na4 Br4 O12"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
_space... | data_image0
_chemical_formula_structural Na4Br4O12Th
_chemical_formula_sum "Na4 Br4 O12 Th1"
_cell_length_a 7.53683031
_cell_length_b 7.7492853
_cell_length_c 7.387425299999999
_cell_angle_alpha 89.94961561
_cell_angle_beta 89.69588643
_cell_angle_gamma 89.80975002000001
... |
AddAtomAction | daaf7020-01fe-491c-afcf-b3711e55d955 | mp-27897 | Add one H atom at the Cartesian coordinate [6.365 6.387 7.947] to the cif file. | data_image0
_chemical_formula_structural Ba4N8O16
_chemical_formula_sum "Ba4 N8 O16"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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 Ba4N8O16H
_chemical_formula_sum "Ba4 N8 O16 H1"
_cell_length_a 6.898551
_cell_length_b 7.830487
_cell_length_c 8.466593
_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... |
AddAtomAction | c2de55a7-6ceb-42e9-923e-df63d9bd6730 | mp-1029743 | Add one Nb atom at the Cartesian coordinate [ 3.559 1.823 11.926] to the cif file. | data_image0
_chemical_formula_structural Ba16Ge16N32
_chemical_formula_sum "Ba16 Ge16 N32"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_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 Ba16Ge16N32Nb
_chemical_formula_sum "Ba16 Ge16 N32 Nb1"
_cell_length_a 5.593084
_cell_length_b 11.223424
_cell_length_c 16.662798
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | 4b74eb76-c49f-4c40-ac33-f2bd39ef6b7f | mp-831268 | Add one Dy atom at the Cartesian coordinate [5.345 2.297 4.139] to the cif file. | data_image0
_chemical_formula_structural Mn2H24S4N4O20
_chemical_formula_sum "Mn2 H24 S4 N4 O20"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... | data_image0
_chemical_formula_structural Mn2H24S4N4O20Dy
_chemical_formula_sum "Mn2 H24 S4 N4 O20 Dy1"
_cell_length_a 5.441139
_cell_length_b 6.252487
_cell_length_c 15.522820110000001
_cell_angle_alpha 87.56291691
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group... |
AddAtomAction | c5a41c7d-6661-42ae-98b2-d65e54cc4397 | mp-24473 | Add one Ru atom at the Cartesian coordinate [0.023 0.498 6.09 ] to the cif file. | data_image0
_chemical_formula_structural Be4P4H16N4O16
_chemical_formula_sum "Be4 P4 H16 N4 O16"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_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 Be4P4H16N4O16Ru
_chemical_formula_sum "Be4 P4 H16 N4 O16 Ru1"
_cell_length_a 4.92650173
_cell_length_b 8.58708058
_cell_length_c 8.70990538
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | b6728712-5000-4ab5-8481-d1201596b649 | mp-1078810 | Add one Og atom at the Cartesian coordinate [3.866 2.432 2.19 ] to the cif file. | data_image0
_chemical_formula_structural Sc4Sn2Au4
_chemical_formula_sum "Sc4 Sn2 Au4"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... | data_image0
_chemical_formula_structural Sc4Sn2Au4Og
_chemical_formula_sum "Sc4 Sn2 Au4 Og1"
_cell_length_a 7.58665667
_cell_length_b 7.58665667
_cell_length_c 3.54939042
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | f3c6b3ac-c046-4af8-a041-cf619179610d | mp-1033833 | Add one Lv atom at the Cartesian coordinate [7.28 0.455 0.221] to 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 CsRbMg6O7Lv
_chemical_formula_sum "Cs1 Rb1 Mg6 O7 Lv1"
_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... |
AddAtomAction | 7101be11-ecfb-491b-b71e-135c0bd30287 | mp-9901 | Add one Es atom at the Cartesian coordinate [-0.729 3.249 2.342] to the cif file. | data_image0
_chemical_formula_structural Sc6Co4Si6
_chemical_formula_sum "Sc6 Co4 Si6"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sc6Co4Si6Es
_chemical_formula_sum "Sc6 Co4 Si6 Es1"
_cell_length_a 5.34130515
_cell_length_b 5.34130515
_cell_length_c 12.802442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 136.87448708
_space_group_name_H-M_alt ... |
AddAtomAction | 6d4b2310-aa1c-4f60-bb02-21a35c27acb4 | mp-630927 | Add one Se atom at the Cartesian coordinate [5.706 2.013 5.236] to the cif file. | data_image0
_chemical_formula_structural Pb4SeBr6
_chemical_formula_sum "Pb4 Se1 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_grou... | data_image0
_chemical_formula_structural Pb4SeBr6Se
_chemical_formula_sum "Pb4 Se2 Br6"
_cell_length_a 9.65353821
_cell_length_b 9.65353821
_cell_length_c 10.17135553
_cell_angle_alpha 59.32996063
_cell_angle_beta 59.32996063
_cell_angle_gamma 26.429569669999996
_space_gr... |
AddAtomAction | 25389ec8-33fc-49eb-9b38-d795191fe0f1 | mp-1213780 | Add one Ir atom at the Cartesian coordinate [7.474 1.147 0.779] to the cif file. | data_image0
_chemical_formula_structural Cr21Fe2C6
_chemical_formula_sum "Cr21 Fe2 C6"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999
... | data_image0
_chemical_formula_structural Cr21Fe2C6Ir
_chemical_formula_sum "Cr21 Fe2 C6 Ir1"
_cell_length_a 7.46313307
_cell_length_b 7.46313307
_cell_length_c 7.46313307
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999999999... |
AddAtomAction | 5132ccf9-30bf-48f3-8de5-40445f2f616a | mp-2223637 | Add one Gd atom at the Cartesian coordinate [0.194 1.217 1.937] to the cif file. | data_image0
_chemical_formula_structural MgFeCo2O6
_chemical_formula_sum "Mg1 Fe1 Co2 O6"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_group_na... | data_image0
_chemical_formula_structural MgFeCo2O6Gd
_chemical_formula_sum "Mg1 Fe1 Co2 O6 Gd1"
_cell_length_a 6.73399449
_cell_length_b 3.10796893
_cell_length_c 6.24380314
_cell_angle_alpha 90.0073151
_cell_angle_beta 108.12261319
_cell_angle_gamma 76.60926439
_space_gr... |
AddAtomAction | 81e7177d-4a08-4052-b60e-7c0c9c2ef1cc | mp-2232781 | Add one Ta atom at the Cartesian coordinate [5.485 6.253 6.987] to the cif file. | data_image0
_chemical_formula_structural MgTi4Pb2O9F2
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.392941... | data_image0
_chemical_formula_structural MgTi4Pb2O9F2Ta
_chemical_formula_sum "Mg1 Ti4 Pb2 O9 F2 Ta1"
_cell_length_a 3.75899027
_cell_length_b 8.611130359999999
_cell_length_c 7.98888701
_cell_angle_alpha 88.15670280999998
_cell_angle_beta 76.39283241
_cell_angle_gamma 77.... |
AddAtomAction | c9c29171-22cd-4d50-90f9-c97992ffd445 | mp-31070 | Add one La atom at the Cartesian coordinate [5.644 9.741 0.456] to the cif file. | data_image0
_chemical_formula_structural As16S18
_chemical_formula_sum "As16 S18"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural As16S18La
_chemical_formula_sum "As16 S18 La1"
_cell_length_a 9.38670426
_cell_length_b 9.93780597
_cell_length_c 10.152263380000003
_cell_angle_alpha 90.0
_cell_angle_beta 102.41598904999998
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 2d4b0b8d-691b-4bf9-8465-433355dd805d | mp-1246779 | Add one Ni atom at the Cartesian coordinate [0.415 2.894 9.045] to the cif file. | data_image0
_chemical_formula_structural Ba10Hf4N12
_chemical_formula_sum "Ba10 Hf4 N12"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_group_n... | data_image0
_chemical_formula_structural Ba10Hf4N12Ni
_chemical_formula_sum "Ba10 Hf4 N12 Ni1"
_cell_length_a 6.76065813
_cell_length_b 7.47593269
_cell_length_c 14.96414338
_cell_angle_alpha 89.99999939
_cell_angle_beta 95.29358311
_cell_angle_gamma 123.56617759
_space_g... |
AddAtomAction | f33a297c-0614-4a8d-b5ad-4a56b40b1960 | mp-22642 | Add one Rb atom at the Cartesian coordinate [3.602 4.468 9.304] to the cif file. | data_image0
_chemical_formula_structural Zr24Se12
_chemical_formula_sum "Zr24 Se12"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_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 Zr24Se12Rb
_chemical_formula_sum "Zr24 Se12 Rb1"
_cell_length_a 3.61959819
_cell_length_b 12.70888338
_cell_length_c 15.87225557
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 0deb3031-82c7-4aa4-bac6-8ea14600f3bf | mp-1211929 | Add one Co atom at the Cartesian coordinate [7.68 5.367 1.755] to the cif file. | data_image0
_chemical_formula_structural K8Te4Mo8P8O56
_chemical_formula_sum "K8 Te4 Mo8 P8 O56"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_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 K8Te4Mo8P8O56Co
_chemical_formula_sum "K8 Te4 Mo8 P8 O56 Co1"
_cell_length_a 8.63677716
_cell_length_b 11.09218661
_cell_length_c 12.55253392
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | fd7ff3c8-da6c-45a6-aee2-ebb0ec0d2fdf | mp-1223393 | Add one Zn atom at the Cartesian coordinate [5.533 5.459 1.331] to the cif file. | data_image0
_chemical_formula_structural KRb2WO3F3
_chemical_formula_sum "K1 Rb2 W1 O3 F3"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_group_n... | data_image0
_chemical_formula_structural KRb2WO3F3Zn
_chemical_formula_sum "K1 Rb2 W1 O3 F3 Zn1"
_cell_length_a 6.49814455
_cell_length_b 6.46553491
_cell_length_c 6.42784386
_cell_angle_alpha 60.52792831
_cell_angle_beta 60.02307602
_cell_angle_gamma 59.44899567
_space_g... |
AddAtomAction | 06ced9af-553c-4208-bd54-a061353e1a6e | mp-1276118 | Add one Cr atom at the Cartesian coordinate [ 7.559 -0.51 1.918] to the cif file. | data_image0
_chemical_formula_structural Sr4Y4Co4O16
_chemical_formula_sum "Sr4 Y4 Co4 O16"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943
_spa... | data_image0
_chemical_formula_structural Sr4Y4Co4O16Cr
_chemical_formula_sum "Sr4 Y4 Co4 O16 Cr1"
_cell_length_a 6.82662412
_cell_length_b 7.656220570000001
_cell_length_c 8.49591655
_cell_angle_alpha 116.01055158
_cell_angle_beta 68.13609192
_cell_angle_gamma 106.15056943... |
AddAtomAction | 4cd56edb-7371-48d2-aa4b-220305bfa2cf | mp-2218909 | Add one Au atom at the Cartesian coordinate [1.545 0.272 5.092] to the cif file. | data_image0
_chemical_formula_structural Sr3MgMn2O7
_chemical_formula_sum "Sr3 Mg1 Mn2 O7"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_space_... | data_image0
_chemical_formula_structural Sr3MgMn2O7Au
_chemical_formula_sum "Sr3 Mg1 Mn2 O7 Au1"
_cell_length_a 3.77905617
_cell_length_b 3.77905562
_cell_length_c 13.01065664
_cell_angle_alpha 98.35055135
_cell_angle_beta 98.35055005
_cell_angle_gamma 90.00000523999998
_... |
AddAtomAction | ed1854c5-801a-47d3-a903-f0b22ab014ab | mp-1043960 | Add one Re atom at the Cartesian coordinate [0.233 5.223 3.004] to the cif file. | data_image0
_chemical_formula_structural Mg4Ti4P8O28
_chemical_formula_sum "Mg4 Ti4 P8 O28"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mg4Ti4P8O28Re
_chemical_formula_sum "Mg4 Ti4 P8 O28 Re1"
_cell_length_a 8.631157
_cell_length_b 7.049351
_cell_length_c 9.23377178
_cell_angle_alpha 66.35873965999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | cd54693d-919f-4bd9-a577-d2dea7d6d110 | mp-22781 | Add one Ta atom at the Cartesian coordinate [1.545 2.914 0.161] to the cif file. | data_image0
_chemical_formula_structural Mn8Ge4O16
_chemical_formula_sum "Mn8 Ge4 O16"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Mn8Ge4O16Ta
_chemical_formula_sum "Mn8 Ge4 O16 Ta1"
_cell_length_a 8.178338
_cell_length_b 8.178338
_cell_length_c 8.178338
_cell_angle_alpha 136.07069021
_cell_angle_beta 114.18747095
_cell_angle_gamma 82.53503784
_space_group_nam... |
AddAtomAction | 476e5cb5-b8fe-4c63-b735-e2ae721aeec1 | mp-608777 | Add one Lr atom at the Cartesian coordinate [0.985 0.34 9.502] to the cif file. | data_image0
_chemical_formula_structural Eu2In4As4
_chemical_formula_sum "Eu2 In4 As4"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054
_spa... | data_image0
_chemical_formula_structural Eu2In4As4Lr
_chemical_formula_sum "Eu2 In4 As4 Lr1"
_cell_length_a 4.23915125
_cell_length_b 4.23796063
_cell_length_c 17.92034937
_cell_angle_alpha 89.93312099999999
_cell_angle_beta 90.00959015000001
_cell_angle_gamma 119.98732054... |
AddAtomAction | f3e80126-9041-4a6a-8d99-42747fc7a116 | mp-2232162 | Add one Th atom at the Cartesian coordinate [1.247 2.011 3.283] to the cif file. | data_image0
_chemical_formula_structural MgNb4O10
_chemical_formula_sum "Mg1 Nb4 O10"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural MgNb4O10Th
_chemical_formula_sum "Mg1 Nb4 O10 Th1"
_cell_length_a 8.30773142
_cell_length_b 3.932432
_cell_length_c 6.61144076
_cell_angle_alpha 90.0
_cell_angle_beta 87.61814272000001
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 5955d60a-9cd4-45d7-81a2-40cbdc5224c9 | mp-760360 | Add one Xe atom at the Cartesian coordinate [2.253 1.884 5.887] to the cif file. | data_image0
_chemical_formula_structural Hf6N4O6
_chemical_formula_sum "Hf6 N4 O6"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Hf6N4O6Xe
_chemical_formula_sum "Hf6 N4 O6 Xe1"
_cell_length_a 5.67983701
_cell_length_b 5.67983701
_cell_length_c 10.735977
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 139.210018
_space_group_name_H-M_alt "P ... |
AddAtomAction | eb342558-a3d5-410c-ba56-77f0d516413c | mp-1211110 | Add one Ti atom at the Cartesian coordinate [9.118 9.536 9.817] to the cif file. | data_image0
_chemical_formula_structural Mn8S12N8O48
_chemical_formula_sum "Mn8 S12 N8 O48"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_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 Mn8S12N8O48Ti
_chemical_formula_sum "Mn8 S12 N8 O48 Ti1"
_cell_length_a 10.086492
_cell_length_b 10.086492
_cell_length_c 10.086492
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | dd6547a6-5ac1-4022-a525-08ff81063d5c | mp-1653728 | Add one Au atom at the Cartesian coordinate [-0.049 0.598 7.342] to the cif file. | data_image0
_chemical_formula_structural Li14Co10O24
_chemical_formula_sum "Li14 Co10 O24"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99.18866... | data_image0
_chemical_formula_structural Li14Co10O24Au
_chemical_formula_sum "Li14 Co10 O24 Au1"
_cell_length_a 5.01463022
_cell_length_b 9.69793723
_cell_length_c 8.650324369999998
_cell_angle_alpha 89.87512266000002
_cell_angle_beta 90.14052971999999
_cell_angle_gamma 99... |
AddAtomAction | 32b5a74c-8153-4757-aa9a-6f1f2693a307 | mp-1189578 | Add one Te atom at the Cartesian coordinate [4.867 0.996 1.954] to the cif file. | data_image0
_chemical_formula_structural V4N4O12
_chemical_formula_sum "V4 N4 O12"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_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 V4N4O12Te
_chemical_formula_sum "V4 N4 O12 Te1"
_cell_length_a 5.219632
_cell_length_b 12.524772
_cell_length_c 6.098239
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_... |
AddAtomAction | ac959909-e6c6-4f6f-bb05-d6b75f733461 | mp-30447 | Add one Pb atom at the Cartesian coordinate [0.789 6.099 4.326] to the cif file. | data_image0
_chemical_formula_structural Sr18Cd8Bi18
_chemical_formula_sum "Sr18 Cd8 Bi18"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
_space... | data_image0
_chemical_formula_structural Sr18Cd8Bi18Pb
_chemical_formula_sum "Sr18 Cd8 Bi18 Pb1"
_cell_length_a 4.92851629
_cell_length_b 13.3750904
_cell_length_c 23.587212490000002
_cell_angle_alpha 89.99999363
_cell_angle_beta 90.00000449
_cell_angle_gamma 90.00000158
... |
AddAtomAction | bf901cc6-0ab2-463e-9527-8bfbe4c20048 | mp-1027824 | Add one Ga atom at the Cartesian coordinate [2.77 4.728 7.28 ] to the cif file. | data_image0
_chemical_formula_structural Mg14VCu
_chemical_formula_sum "Mg14 V1 Cu1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Mg14VCuGa
_chemical_formula_sum "Mg14 V1 Cu1 Ga1"
_cell_length_a 6.25959656
_cell_length_b 6.27222479
_cell_length_c 9.99336064
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.06676336999999
_space_group_name_H-M... |
AddAtomAction | 21545b7b-eb0f-4c5c-8433-6f75199ef624 | mp-1028163 | Add one Pr atom at the Cartesian coordinate [-0.621 3.567 6.597] to the cif file. | data_image0
_chemical_formula_structural Mg14AlBi
_chemical_formula_sum "Mg14 Al1 Bi1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_group_name... | data_image0
_chemical_formula_structural Mg14AlBiPr
_chemical_formula_sum "Mg14 Al1 Bi1 Pr1"
_cell_length_a 6.34066626
_cell_length_b 6.630739309999999
_cell_length_c 10.36912104
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.52523869000004
_space_grou... |
AddAtomAction | 8f46306d-bcc3-41fd-b558-09edb4164d6e | mp-1105882 | Add one Sc atom at the Cartesian coordinate [6.204 1.583 1.249] to the cif file. | data_image0
_chemical_formula_structural Tb4Sb6Rh7
_chemical_formula_sum "Tb4 Sb6 Rh7"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.47122693
_s... | data_image0
_chemical_formula_structural Tb4Sb6Rh7Sc
_chemical_formula_sum "Tb4 Sb6 Rh7 Sc1"
_cell_length_a 7.58102333
_cell_length_b 7.58102333
_cell_length_c 7.581023330000001
_cell_angle_alpha 109.47122692999999
_cell_angle_beta 109.47120805
_cell_angle_gamma 109.471226... |
AddAtomAction | ed101cb9-bef7-4c9b-a706-ffc18a60de91 | mp-1217155 | Add one Ag atom at the Cartesian coordinate [2.801 2.505 2.079] to the cif file. | data_image0
_chemical_formula_structural Ti4S8N
_chemical_formula_sum "Ti4 S8 N1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Ti4S8NAg
_chemical_formula_sum "Ti4 S8 N1 Ag1"
_cell_length_a 3.420375
_cell_length_b 5.889162
_cell_length_c 14.79821434
_cell_angle_alpha 82.34504292
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 7d2e30fc-1ffe-4b44-b81c-3e90b91a3360 | mp-1195727 | Add one Sr atom at the Cartesian coordinate [5.827 0.025 3.652] to the cif file. | data_image0
_chemical_formula_structural K8Ca2U2Si8O28
_chemical_formula_sum "K8 Ca2 U2 Si8 O28"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_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 K8Ca2U2Si8O28Sr
_chemical_formula_sum "K8 Ca2 U2 Si8 O28 Sr1"
_cell_length_a 9.39128534
_cell_length_b 9.39128534
_cell_length_c 8.34630883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | cdf39fe8-d821-43bd-bed5-d3225b015ddf | mp-9107 | Add one Xe atom at the Cartesian coordinate [-4.487 2.992 6.494] to the cif file. | data_image0
_chemical_formula_structural Na2Zr2Cu2S6
_chemical_formula_sum "Na2 Zr2 Cu2 S6"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_group_na... | data_image0
_chemical_formula_structural Na2Zr2Cu2S6Xe
_chemical_formula_sum "Na2 Zr2 Cu2 S6 Xe1"
_cell_length_a 6.81193218
_cell_length_b 6.8119321799999994
_cell_length_c 9.80788
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 148.38130313000002
_space_gr... |
AddAtomAction | f050698c-1b91-4c75-a8c7-a07ee4893d31 | mp-1212178 | Add one Es atom at the Cartesian coordinate [5.42 8.951 6.958] to 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 In4H36S8O48Es
_chemical_formula_sum "In4 H36 S8 O48 Es1"
_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 ... |
AddAtomAction | 26a0c5d3-1420-4638-b77a-67e1e556c395 | mp-17822 | Add one Zr atom at the Cartesian coordinate [8.472 3.497 3.227] to the cif file. | data_image0
_chemical_formula_structural Dy8Mo4O24
_chemical_formula_sum "Dy8 Mo4 O24"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space_group... | data_image0
_chemical_formula_structural Dy8Mo4O24Zr
_chemical_formula_sum "Dy8 Mo4 O24 Zr1"
_cell_length_a 9.85730477
_cell_length_b 9.857304769999999
_cell_length_c 5.34113972
_cell_angle_alpha 74.85744461
_cell_angle_beta 74.85744461
_cell_angle_gamma 67.9590639
_space... |
AddAtomAction | 45b814c9-dc29-447a-8744-07334aa73061 | mp-1181187 | Add one Hg atom at the Cartesian coordinate [4.866 1.178 1.429] to the cif file. | data_image0
_chemical_formula_structural K8Mo2C8N8O16
_chemical_formula_sum "K8 Mo2 C8 N8 O16"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... | data_image0
_chemical_formula_structural K8Mo2C8N8O16Hg
_chemical_formula_sum "K8 Mo2 C8 N8 O16 Hg1"
_cell_length_a 13.732543
_cell_length_b 6.884188
_cell_length_c 9.085398769999998
_cell_angle_alpha 71.5159349
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... |
AddAtomAction | 0e6f4afb-6335-4d71-af3a-f33b40ebaf47 | mp-17461 | Add one Ar atom at the Cartesian coordinate [7.34 6.355 0.871] to the cif file. | data_image0
_chemical_formula_structural Na4Ti4P8O28
_chemical_formula_sum "Na4 Ti4 P8 O28"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Na4Ti4P8O28Ar
_chemical_formula_sum "Na4 Ti4 P8 O28 Ar1"
_cell_length_a 8.036569
_cell_length_b 7.479749
_cell_length_c 9.84832174
_cell_angle_alpha 68.32817444999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | b24777a1-e813-4691-8556-53ccc8a2c55f | mp-1213024 | Add one Ts atom at the Cartesian coordinate [9.03 3.556 8.318] to the cif file. | data_image0
_chemical_formula_structural Er4Ge6Pt18
_chemical_formula_sum "Er4 Ge6 Pt18"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_space_g... | data_image0
_chemical_formula_structural Er4Ge6Pt18Ts
_chemical_formula_sum "Er4 Ge6 Pt18 Ts1"
_cell_length_a 7.81079378
_cell_length_b 7.81079378
_cell_length_c 10.08773752
_cell_angle_alpha 67.10766358
_cell_angle_beta 67.10766358
_cell_angle_gamma 60.213991459999995
_s... |
AddAtomAction | 0a4f8565-9eff-4f20-bf3a-746e0696cbdc | mp-1376216 | Add one Sm atom at the Cartesian coordinate [1.777 0.077 9.065] to the cif file. | data_image0
_chemical_formula_structural Mg4V8O16
_chemical_formula_sum "Mg4 V8 O16"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_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 Mg4V8O16Sm
_chemical_formula_sum "Mg4 V8 O16 Sm1"
_cell_length_a 2.964384
_cell_length_b 9.169554
_cell_length_c 10.559834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | d40c4c13-3ab7-4ce8-920d-e98a3961ea45 | mp-1239174 | Add one Ac atom at the Cartesian coordinate [0.246 1.857 1.738] to the cif file. | data_image0
_chemical_formula_structural Ti4Cr4Cu4S16
_chemical_formula_sum "Ti4 Cr4 Cu4 S16"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_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 Ti4Cr4Cu4S16Ac
_chemical_formula_sum "Ti4 Cr4 Cu4 S16 Ac1"
_cell_length_a 5.730751
_cell_length_b 7.036218
_cell_length_c 11.880694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 86fa9008-5e57-449a-ac78-1ed4c8186a27 | mp-1046918 | Add one Cf atom at the Cartesian coordinate [2.191 2.207 5.49 ] to the cif file. | data_image0
_chemical_formula_structural Ca4Ti4O8
_chemical_formula_sum "Ca4 Ti4 O8"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_group_na... | data_image0
_chemical_formula_structural Ca4Ti4O8Cf
_chemical_formula_sum "Ca4 Ti4 O8 Cf1"
_cell_length_a 2.98719992
_cell_length_b 8.43779539
_cell_length_c 9.04107259
_cell_angle_alpha 85.8211923
_cell_angle_beta 80.76044051
_cell_angle_gamma 79.79836391000002
_space_gr... |
AddAtomAction | 6ac61cb8-dd84-44c2-afd2-c0a02524b98d | mp-1179245 | Add one Cn atom at the Cartesian coordinate [5.688 0.071 2.985] to the cif file. | data_image0
_chemical_formula_structural V6H12O20
_chemical_formula_sum "V6 H12 O20"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_group_nam... | data_image0
_chemical_formula_structural V6H12O20Cn
_chemical_formula_sum "V6 H12 O20 Cn1"
_cell_length_a 6.109909
_cell_length_b 8.90692701
_cell_length_c 9.072093930000001
_cell_angle_alpha 88.65203732
_cell_angle_beta 86.15278078
_cell_angle_gamma 81.7956423
_space_gro... |
AddAtomAction | 6735d819-ee57-4eaa-a0d5-32f4c29bf714 | mp-1227202 | Add one Au atom at the Cartesian coordinate [3.281 5.21 6.058] to the cif file. | data_image0
_chemical_formula_structural CaAl4Si8O24
_chemical_formula_sum "Ca1 Al4 Si8 O24"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090608
_... | data_image0
_chemical_formula_structural CaAl4Si8O24Au
_chemical_formula_sum "Ca1 Al4 Si8 O24 Au1"
_cell_length_a 5.220244
_cell_length_b 9.08413944
_cell_length_c 15.75302611
_cell_angle_alpha 106.48491115999998
_cell_angle_beta 99.41094523999999
_cell_angle_gamma 89.8090... |
AddAtomAction | 84a6d347-297e-4d76-b47f-54280e6407d5 | mp-1194797 | Add one V atom at the Cartesian coordinate [2.159 1.15 2.226] to the cif file. | data_image0
_chemical_formula_structural Na8H12Se4O22
_chemical_formula_sum "Na8 H12 Se4 O22"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_space_gr... | data_image0
_chemical_formula_structural Na8H12Se4O22V
_chemical_formula_sum "Na8 H12 Se4 O22 V1"
_cell_length_a 5.58353291
_cell_length_b 5.58353291
_cell_length_c 18.29789639
_cell_angle_alpha 96.74568174
_cell_angle_beta 96.74568174
_cell_angle_gamma 103.30429614
_spac... |
AddAtomAction | 3db41e35-acc5-4c40-ba54-2b9d352d1657 | mp-755879 | Add one Lr atom at the Cartesian coordinate [2.314 2.295 7.243] to the cif file. | data_image0
_chemical_formula_structural Fe8O2F14
_chemical_formula_sum "Fe8 O2 F14"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604279
_... | data_image0
_chemical_formula_structural Fe8O2F14Lr
_chemical_formula_sum "Fe8 O2 F14 Lr1"
_cell_length_a 5.84111594
_cell_length_b 5.841115939999999
_cell_length_c 9.30339359
_cell_angle_alpha 87.90472414000001
_cell_angle_beta 87.90472414000001
_cell_angle_gamma 72.45604... |
AddAtomAction | 49f02a42-dae2-42f3-b584-bca97dd1b6ac | mp-1225642 | Add one Zr atom at the Cartesian coordinate [-0.372 -0.285 0.737] to the cif file. | data_image0
_chemical_formula_structural Eu2Al6Si3Au2
_chemical_formula_sum "Eu2 Al6 Si3 Au2"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Eu2Al6Si3Au2Zr
_chemical_formula_sum "Eu2 Al6 Si3 Au2 Zr1"
_cell_length_a 13.56086181
_cell_length_b 13.560861810000002
_cell_length_c 13.56086181
_cell_angle_alpha 161.29687230999994
_cell_angle_beta 161.29687230999997
_cell_angle_gam... |
AddAtomAction | f0d5f629-f09e-4179-b432-8ca1d7543727 | mp-1224446 | Add one Pm atom at the Cartesian coordinate [3.133 1.522 1.195] to the cif file. | data_image0
_chemical_formula_structural Hf3TaFe8
_chemical_formula_sum "Hf3 Ta1 Fe8"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space_group... | data_image0
_chemical_formula_structural Hf3TaFe8Pm
_chemical_formula_sum "Hf3 Ta1 Fe8 Pm1"
_cell_length_a 4.94351674
_cell_length_b 4.94351723
_cell_length_c 8.06256995
_cell_angle_alpha 89.99999899
_cell_angle_beta 89.99998777
_cell_angle_gamma 119.99922461000001
_space... |
AddAtomAction | 9af72673-522e-4c29-b8df-585b1c38af19 | mp-1111469 | Add one Xe atom at the Cartesian coordinate [8.897 1.546 3.443] to the cif file. | data_image0
_chemical_formula_structural Rb2AgAuCl6
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Rb2AgAuCl6Xe
_chemical_formula_sum "Rb2 Ag1 Au1 Cl6 Xe1"
_cell_length_a 7.30836578
_cell_length_b 7.30836578
_cell_length_c 7.30836578
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | df287519-4b68-458c-9569-112c39d76a7d | mp-34578 | Add one H atom at the Cartesian coordinate [11.334 8.811 6.741] to the cif file. | data_image0
_chemical_formula_structural Ba8Y6F34
_chemical_formula_sum "Ba8 Y6 F34"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_name_H-... | data_image0
_chemical_formula_structural Ba8Y6F34H
_chemical_formula_sum "Ba8 Y6 F34 H1"
_cell_length_a 9.30934256
_cell_length_b 9.28939294
_cell_length_c 9.37462646
_cell_angle_alpha 72.82400591
_cell_angle_beta 72.84749938
_cell_angle_gamma 72.95756218
_space_group_nam... |
AddAtomAction | 96502faa-25b3-4bbe-8f85-bd2954baa807 | mp-1224145 | Add one Cu atom at the Cartesian coordinate [7.33 4.707 7.746] to the cif file. | data_image0
_chemical_formula_structural K8Mo8P8O44
_chemical_formula_sum "K8 Mo8 P8 O44"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural K8Mo8P8O44Cu
_chemical_formula_sum "K8 Mo8 P8 O44 Cu1"
_cell_length_a 10.3004
_cell_length_b 10.038354
_cell_length_c 10.06067308
_cell_angle_alpha 81.80227319
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 045c8431-4748-448e-aa1e-f8e9ff27255e | mp-2715503 | Add one Th atom at the Cartesian coordinate [6.529 5.181 2.868] to the cif file. | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0
_spa... | data_image0
_chemical_formula_structural Na12Sc4Si4Ge4P8O48Th
_chemical_formula_sum "Na12 Sc4 Si4 Ge4 P8 O48 Th1"
_cell_length_a 15.35080669
_cell_length_b 8.9254299
_cell_length_c 8.96443612
_cell_angle_alpha 90.0
_cell_angle_beta 125.57317330999999
_cell_angle_gamma 90.0... |
AddAtomAction | aaf3a580-b33e-4382-9bf7-da562f6a3a37 | mp-1182686 | Add one O atom at the Cartesian coordinate [-3.638 -4.093 5.336] to the cif file. | data_image0
_chemical_formula_structural Fe6S6O60
_chemical_formula_sum "Fe6 S6 O60"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... | data_image0
_chemical_formula_structural Fe6S6O61
_chemical_formula_sum "Fe6 S6 O61"
_cell_length_a 13.56907058
_cell_length_b 13.56907058
_cell_length_c 13.56907039
_cell_angle_alpha 116.18078235999998
_cell_angle_beta 116.18078235999998
_cell_angle_gamma 116.180781239999... |
AddAtomAction | 41b45429-94dd-4554-b836-95ae1d0ca903 | mp-558595 | Add one Te atom at the Cartesian coordinate [ 2.358 4.199 14.131] to the cif file. | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12
_chemical_formula_sum "Ba6 Ru3 Cl2 O12"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_name_H-M... | data_image0
_chemical_formula_structural Ba6Ru3Cl2O12Te
_chemical_formula_sum "Ba6 Ru3 Cl2 O12 Te1"
_cell_length_a 5.918419
_cell_length_b 5.91841994
_cell_length_c 15.047761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000034000001
_space_group_na... |
AddAtomAction | 24b46c05-32c2-49da-8c13-f1828cc1cac3 | mp-2241183 | Add one Am atom at the Cartesian coordinate [ 0.605 -0.623 2.071] to the cif file. | data_image0
_chemical_formula_structural MgNb3SiO10
_chemical_formula_sum "Mg1 Nb3 Si1 O10"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386000002... | data_image0
_chemical_formula_structural MgNb3SiO10Am
_chemical_formula_sum "Mg1 Nb3 Si1 O10 Am1"
_cell_length_a 5.43041626
_cell_length_b 5.602910460000001
_cell_length_c 7.38994443
_cell_angle_alpha 107.93183047
_cell_angle_beta 110.36968069
_cell_angle_gamma 89.56181386... |
AddAtomAction | 96b09320-a1e6-41dc-a235-2c33a8c94f20 | mp-1193000 | Add one Dy atom at the Cartesian coordinate [8.277 3.673 6.082] to the cif file. | data_image0
_chemical_formula_structural NiC4S4N2O12
_chemical_formula_sum "Ni1 C4 S4 N2 O12"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.76870820999999
... | data_image0
_chemical_formula_structural NiC4S4N2O12Dy
_chemical_formula_sum "Ni1 C4 S4 N2 O12 Dy1"
_cell_length_a 9.90869488
_cell_length_b 8.05340079
_cell_length_c 7.573617939999999
_cell_angle_alpha 67.5170454
_cell_angle_beta 85.21804532
_cell_angle_gamma 66.768708209... |
AddAtomAction | 75cb8606-53d7-48ad-bf23-a9b2b8191f2a | mp-5626 | Add one Fr atom at the Cartesian coordinate [4.358 9.651 8.563] to the cif file. | data_image0
_chemical_formula_structural K12Sb4Te12
_chemical_formula_sum "K12 Sb4 Te12"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_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 K12Sb4Te12Fr
_chemical_formula_sum "K12 Sb4 Te12 Fr1"
_cell_length_a 10.47095485
_cell_length_b 10.47095485
_cell_length_c 10.47095485
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 93f7698c-6831-4525-916d-20dcaeda6ea9 | mp-767632 | Add one Sb atom at the Cartesian coordinate [3.953 1.618 1.523] to the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16Sb
_chemical_formula_sum "V4 P4 O16 Sb1"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_gr... |
AddAtomAction | 19eef1b9-6395-4600-a4c3-df0ac505438a | mp-558805 | Add one Pr atom at the Cartesian coordinate [2.385 7.202 1.32 ] to the cif file. | data_image0
_chemical_formula_structural Na12Nd4B8O24
_chemical_formula_sum "Na12 Nd4 B8 O24"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Na12Nd4B8O24Pr
_chemical_formula_sum "Na12 Nd4 B8 O24 Pr1"
_cell_length_a 8.881597
_cell_length_b 6.671646
_cell_length_c 12.18936188
_cell_angle_alpha 57.77745432999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 09670c7b-8d84-4ee3-b6c8-b953ccb28168 | mp-1212178 | Add one Ce atom at the Cartesian coordinate [ 4.994 0.415 17.845] to 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 In4H36S8O48Ce
_chemical_formula_sum "In4 H36 S8 O48 Ce1"
_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 ... |
AddAtomAction | 25ec29cf-e512-4486-a4c3-5b2a0d34e6f8 | mp-1245513 | Add one Yb atom at the Cartesian coordinate [3.422 5.642 8.388] to the cif file. | data_image0
_chemical_formula_structural Fe16Te12N8
_chemical_formula_sum "Fe16 Te12 N8"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_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 Fe16Te12N8Yb
_chemical_formula_sum "Fe16 Te12 N8 Yb1"
_cell_length_a 6.179044
_cell_length_b 10.515917
_cell_length_c 9.10105
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | e96a968a-a6d6-433f-a4c9-533f86fdf50f | mp-771733 | Add one O atom at the Cartesian coordinate [6.873 2.518 8.917] to the cif file. | data_image0
_chemical_formula_structural Li3MgV8O16
_chemical_formula_sum "Li3 Mg1 V8 O16"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... | data_image0
_chemical_formula_structural Li3MgV8O17
_chemical_formula_sum "Li3 Mg1 V8 O17"
_cell_length_a 5.99800606
_cell_length_b 5.99800606
_cell_length_c 10.32123589
_cell_angle_alpha 74.18392686
_cell_angle_beta 74.18392686
_cell_angle_gamma 60.4045385
_space_group_n... |
AddAtomAction | 74c513d3-dec9-494b-adc4-dfb7e950ee42 | mp-557497 | Add one Co atom at the Cartesian coordinate [ 5.345 0.934 16.491] to the cif file. | data_image0
_chemical_formula_structural Pr4Nb22O60
_chemical_formula_sum "Pr4 Nb22 O60"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Pr4Nb22O60Co
_chemical_formula_sum "Pr4 Nb22 O60 Co1"
_cell_length_a 6.32548054
_cell_length_b 6.32548054
_cell_length_c 32.95791
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000570000002
_space_group_name_H... |
AddAtomAction | e0f9a4be-7d85-4aad-8f70-8217aa4b3a98 | mp-1175308 | Add one Ti atom at the Cartesian coordinate [4.247 4.229 5.478] to the cif file. | data_image0
_chemical_formula_structural Li14Mn10O24
_chemical_formula_sum "Li14 Mn10 O24"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592999999... | data_image0
_chemical_formula_structural Li14Mn10O24Ti
_chemical_formula_sum "Li14 Mn10 O24 Ti1"
_cell_length_a 6.4604732
_cell_length_b 9.30408087
_cell_length_c 7.7911714
_cell_angle_alpha 71.89936080999999
_cell_angle_beta 89.76486087999999
_cell_angle_gamma 82.70632592... |
AddAtomAction | 07368907-2ee4-45d3-827e-b3be18a7f2a2 | mp-29802 | Add one Mo atom at the Cartesian coordinate [-2.018 7.434 1.604] to the cif file. | data_image0
_chemical_formula_structural Sc4Ni24Ge24
_chemical_formula_sum "Sc4 Ni24 Ge24"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Sc4Ni24Ge24Mo
_chemical_formula_sum "Sc4 Ni24 Ge24 Mo1"
_cell_length_a 10.21227785
_cell_length_b 10.21227785
_cell_length_c 7.825573
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999899999999
_space_group_na... |
AddAtomAction | bd19044d-0616-43eb-bfaa-bd741e9f2d01 | mp-766361 | Add one Ta atom at the Cartesian coordinate [3.449 3.812 0.115] to the cif file. | data_image0
_chemical_formula_structural Nb20O50
_chemical_formula_sum "Nb20 O50"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_name_H-M... | data_image0
_chemical_formula_structural Nb20O50Ta
_chemical_formula_sum "Nb20 O50 Ta1"
_cell_length_a 11.51573649
_cell_length_b 7.73121522
_cell_length_c 11.39097549
_cell_angle_alpha 99.72313305
_cell_angle_beta 92.01661777
_cell_angle_gamma 80.29335282
_space_group_na... |
AddAtomAction | 692706ac-bd7b-4640-8b6c-ca30fe995cff | mp-867658 | Add one Zn atom at the Cartesian coordinate [4.717 8.729 2.616] to the cif file. | data_image0
_chemical_formula_structural La14Mn13O42
_chemical_formula_sum "La14 Mn13 O42"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2396779... | data_image0
_chemical_formula_structural La14Mn13O42Zn
_chemical_formula_sum "La14 Mn13 O42 Zn1"
_cell_length_a 9.68085979
_cell_length_b 9.680859790000001
_cell_length_c 9.680859540000002
_cell_angle_alpha 100.23966913
_cell_angle_beta 100.23966913
_cell_angle_gamma 100.2... |
AddAtomAction | d9794214-759f-4ed8-8b53-925d58c2fe64 | mp-759150 | Add one As atom at the Cartesian coordinate [4.721 3.545 0.076] to the cif file. | data_image0
_chemical_formula_structural Li4V4O4F8
_chemical_formula_sum "Li4 V4 O4 F8"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_space_grou... | data_image0
_chemical_formula_structural Li4V4O4F8As
_chemical_formula_sum "Li4 V4 O4 F8 As1"
_cell_length_a 6.62309501
_cell_length_b 6.62309501
_cell_length_c 5.33985558
_cell_angle_alpha 83.85118766
_cell_angle_beta 83.85118766
_cell_angle_gamma 84.91793557999999
_spac... |
AddAtomAction | f4a1a168-045c-48b5-aa8b-2e919def874f | mp-1931800 | Add one Fl atom at the Cartesian coordinate [1.479 1.624 2.966] to the cif file. | data_image0
_chemical_formula_structural Mn13Si2Sb2O28
_chemical_formula_sum "Mn13 Si2 Sb2 O28"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.00803492
_s... | data_image0
_chemical_formula_structural Mn13Si2Sb2O28Fl
_chemical_formula_sum "Mn13 Si2 Sb2 O28 Fl1"
_cell_length_a 5.58741782
_cell_length_b 8.845506150000002
_cell_length_c 11.7537536
_cell_angle_alpha 87.52253614
_cell_angle_beta 76.10954976
_cell_angle_gamma 79.008034... |
AddAtomAction | 9b285065-7556-475c-b34b-5091533bf63b | mp-770874 | Add one V atom at the Cartesian coordinate [13.776 6.366 2.297] to the cif file. | data_image0
_chemical_formula_structural Na12Co4P2C8O32
_chemical_formula_sum "Na12 Co4 P2 C8 O32"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.9999... | data_image0
_chemical_formula_structural Na12Co4P2C8O32V
_chemical_formula_sum "Na12 Co4 P2 C8 O32 V1"
_cell_length_a 9.86786888
_cell_length_b 9.86786888
_cell_length_c 9.86786888
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.... |
AddAtomAction | 66aeb080-3028-4aa3-b406-e9c749b1c177 | mp-766445 | Add one Mg atom at the Cartesian coordinate [3.481 1.308 6.455] to the cif file. | data_image0
_chemical_formula_structural Mn8Co4O16
_chemical_formula_sum "Mn8 Co4 O16"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_group_n... | data_image0
_chemical_formula_structural Mn8Co4O16Mg
_chemical_formula_sum "Mn8 Co4 O16 Mg1"
_cell_length_a 6.164401
_cell_length_b 6.1974534
_cell_length_c 8.270759199999999
_cell_angle_alpha 89.91114268
_cell_angle_beta 89.58925047
_cell_angle_gamma 83.98382736
_space_g... |
AddAtomAction | b7ade836-fd39-4216-b60b-793ac038de21 | mp-695305 | Add one Li atom at the Cartesian coordinate [-2.587 -0.286 8.468] to the cif file. | data_image0
_chemical_formula_structural Na8C8S8O24F24
_chemical_formula_sum "Na8 C8 S8 O24 F24"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447
_spa... | data_image0
_chemical_formula_structural Na8C8S8O24F24Li
_chemical_formula_sum "Na8 C8 S8 O24 F24 Li1"
_cell_length_a 10.220978
_cell_length_b 11.03350717
_cell_length_c 11.33079768
_cell_angle_alpha 101.24554006
_cell_angle_beta 105.05376919
_cell_angle_gamma 110.72370447... |
AddAtomAction | 339f30b0-1b8d-4246-b3cb-74e1e465cfde | mp-989647 | Add one Y atom at the Cartesian coordinate [3.081 3.882 4.36 ] to the cif file. | data_image0
_chemical_formula_structural Y4Re4N12
_chemical_formula_sum "Y4 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_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 Y4Re4N12Y
_chemical_formula_sum "Y5 Re4 N12"
_cell_length_a 5.3829449
_cell_length_b 5.59557393
_cell_length_c 7.68551211
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | f76f8a14-5702-4a42-86a6-60070bd2a490 | mp-27382 | Add one V atom at the Cartesian coordinate [2.288 3.015 2.076] to the cif file. | data_image0
_chemical_formula_structural U8Tl8F40
_chemical_formula_sum "U8 Tl8 F40"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural U8Tl8F40V
_chemical_formula_sum "U8 Tl8 F40 V1"
_cell_length_a 13.7278367
_cell_length_b 8.20459056
_cell_length_c 8.2607243
_cell_angle_alpha 78.05179443
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | c96c083a-8a77-4a02-8d77-69e443d07522 | mp-558603 | Add one Sn atom at the Cartesian coordinate [1.815 4.419 8.674] to the cif file. | data_image0
_chemical_formula_structural K4Si8O18
_chemical_formula_sum "K4 Si8 O18"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_group_n... | data_image0
_chemical_formula_structural K4Si8O18Sn
_chemical_formula_sum "K4 Si8 O18 Sn1"
_cell_length_a 4.93890481
_cell_length_b 8.34642066
_cell_length_c 12.1241052
_cell_angle_alpha 71.14050658
_cell_angle_beta 89.68090569
_cell_angle_gamma 89.07631855999999
_space_g... |
AddAtomAction | 27f74ee9-9cb3-4460-ac79-7e67dbc95347 | mp-29075 | Add one Al atom at the Cartesian coordinate [3.053 2.903 0.082] to the cif file. | data_image0
_chemical_formula_structural Ga6Bi10Cl24
_chemical_formula_sum "Ga6 Bi10 Cl24"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
_space... | data_image0
_chemical_formula_structural Ga6Bi10Cl24Al
_chemical_formula_sum "Ga6 Bi10 Cl24 Al1"
_cell_length_a 12.22153651
_cell_length_b 12.22153651
_cell_length_c 12.22153664
_cell_angle_alpha 58.18940720000001
_cell_angle_beta 58.1894072
_cell_angle_gamma 58.18940156
... |
AddAtomAction | a8d93a42-dbae-4436-9be6-3f2320d4b397 | mp-2228762 | Add one Fm atom at the Cartesian coordinate [1.756 4.96 4.8 ] to the cif file. | data_image0
_chemical_formula_structural K3NaMgCr2O8
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_space_gr... | data_image0
_chemical_formula_structural K3NaMgCr2O8Fm
_chemical_formula_sum "K3 Na1 Mg1 Cr2 O8 Fm1"
_cell_length_a 6.05065711
_cell_length_b 6.05065662
_cell_length_c 7.70127928
_cell_angle_alpha 88.76603326
_cell_angle_beta 91.23396669
_cell_angle_gamma 113.67298096
_sp... |
AddAtomAction | e9118b5b-11b9-4d6d-824f-052bef54c56a | mp-1207958 | Add one As atom at the Cartesian coordinate [ 2.704 0.279 14.177] to the cif file. | data_image0
_chemical_formula_structural Tm4Zn4Sn4
_chemical_formula_sum "Tm4 Zn4 Sn4"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Tm4Zn4Sn4As
_chemical_formula_sum "Tm4 Zn4 Sn4 As1"
_cell_length_a 4.4215127
_cell_length_b 4.4215127
_cell_length_c 15.82754761
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999371
_space_group_name_H-M_alt ... |
AddAtomAction | 54bf0ff6-bf37-4dd1-9cf4-5b54881afd1c | mp-1206107 | Add one Yb atom at the Cartesian coordinate [1.218 5.785 1.774] to the cif file. | data_image0
_chemical_formula_structural Ho4Cd2Pd4
_chemical_formula_sum "Ho4 Cd2 Pd4"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_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 Ho4Cd2Pd4Yb
_chemical_formula_sum "Ho4 Cd2 Pd4 Yb1"
_cell_length_a 7.67014499
_cell_length_b 7.67014499
_cell_length_c 3.65393564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | f2527383-834b-4279-ad8f-c431da7dccdf | mp-28179 | Add one Co atom at the Cartesian coordinate [ 1.525 6.716 15.78 ] to the cif file. | data_image0
_chemical_formula_structural Na4Ta4Cl24
_chemical_formula_sum "Na4 Ta4 Cl24"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Na4Ta4Cl24Co
_chemical_formula_sum "Na4 Ta4 Cl24 Co1"
_cell_length_a 6.90728656
_cell_length_b 6.46103936
_cell_length_c 19.22184359
_cell_angle_alpha 88.37225246
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | 21691559-b2bf-4b78-8887-758a1a24eb02 | mp-1248873 | Add one Rb atom at the Cartesian coordinate [5.627 5.337 3.476] to the cif file. | data_image0
_chemical_formula_structural Al4Ni4O14
_chemical_formula_sum "Al4 Ni4 O14"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural Al4Ni4O14Rb
_chemical_formula_sum "Al4 Ni4 O14 Rb1"
_cell_length_a 6.48146945
_cell_length_b 6.48146945
_cell_length_c 6.4814694500000005
_cell_angle_alpha 60.00000000000001
_cell_angle_beta 60.00000000000001
_cell_angle_gamma 59.99... |
AddAtomAction | 7dec9807-bff4-4e74-be47-e60e5ef5dcd2 | mp-1021689 | Add one As atom at the Cartesian coordinate [2.601 3.645 0.125] to the cif file. | data_image0
_chemical_formula_structural Mg12V2W2
_chemical_formula_sum "Mg12 V2 W2"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_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 Mg12V2W2As
_chemical_formula_sum "Mg12 V2 W2 As1"
_cell_length_a 4.735365
_cell_length_b 5.972519
_cell_length_c 10.970908
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | 1cff0b45-ca58-4936-ae15-727f6df33b66 | mp-1196042 | Add one Zr atom at the Cartesian coordinate [-2.171 6.358 2.254] to the cif file. | data_image0
_chemical_formula_structural Na4H36Pt2N12F12
_chemical_formula_sum "Na4 H36 Pt2 N12 F12"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613566
_... | data_image0
_chemical_formula_structural Na4H36Pt2N12F12Zr
_chemical_formula_sum "Na4 H36 Pt2 N12 F12 Zr1"
_cell_length_a 8.85184657
_cell_length_b 8.85184657
_cell_length_c 12.09539409
_cell_angle_alpha 98.80362747
_cell_angle_beta 103.44069572
_cell_angle_gamma 118.24613... |
AddAtomAction | 997d3e55-3b31-462b-918c-51cfaf80e82d | mp-1096432 | Add one Cr atom at the Cartesian coordinate [-4.827 -6.74 11.856] to the cif file. | data_image0
_chemical_formula_structural Ce24Se48
_chemical_formula_sum "Ce24 Se48"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_group_na... | data_image0
_chemical_formula_structural Ce24Se48Cr
_chemical_formula_sum "Ce24 Se48 Cr1"
_cell_length_a 16.69883571
_cell_length_b 16.69883571
_cell_length_c 16.69883571
_cell_angle_alpha 109.47122039
_cell_angle_beta 109.47122076
_cell_angle_gamma 109.47122076
_space_gr... |
AddAtomAction | 5ee6f8ca-79ba-4d27-9df2-79bd470f5238 | mp-3653 | Add one Tl atom at the Cartesian coordinate [2.424 3.307 7.047] to the cif file. | data_image0
_chemical_formula_structural Mg2Sb4O12
_chemical_formula_sum "Mg2 Sb4 O12"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_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 Mg2Sb4O12Tl
_chemical_formula_sum "Mg2 Sb4 O12 Tl1"
_cell_length_a 4.66240552
_cell_length_b 4.66240552
_cell_length_c 9.26369198
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ebb5aaa8-e17e-41cb-a311-a3e3d906b1f9 | mp-1220551 | Add one Fe atom at the Cartesian coordinate [-9.224 4.982 4.085] to the cif file. | data_image0
_chemical_formula_structural Nb4AgBi5O18
_chemical_formula_sum "Nb4 Ag1 Bi5 O18"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space_group... | data_image0
_chemical_formula_structural Nb4AgBi5O18Fe
_chemical_formula_sum "Nb4 Ag1 Bi5 O18 Fe1"
_cell_length_a 12.9369977
_cell_length_b 12.9369977
_cell_length_c 5.60818359
_cell_angle_alpha 89.83000878
_cell_angle_beta 89.83000878
_cell_angle_gamma 155.1355268
_space... |
AddAtomAction | aac51fb5-540d-44c8-aad8-9beb22542d70 | mp-1246932 | Add one Cr atom at the Cartesian coordinate [ 3.813 2.105 14.715] to the cif file. | data_image0
_chemical_formula_structural Ba28Hf4N24
_chemical_formula_sum "Ba28 Hf4 N24"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba28Hf4N24Cr
_chemical_formula_sum "Ba28 Hf4 N24 Cr1"
_cell_length_a 12.513275
_cell_length_b 7.275755
_cell_length_c 14.957083
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 89ae3d57-37c5-4dd6-8f9a-604b48258be8 | mp-1225659 | Add one Ag atom at the Cartesian coordinate [4.024 2.122 7.096] to the cif file. | data_image0
_chemical_formula_structural Er4Al4Ni4
_chemical_formula_sum "Er4 Al4 Ni4"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er4Al4Ni4Ag
_chemical_formula_sum "Er4 Al4 Ni4 Ag1"
_cell_length_a 5.31931795
_cell_length_b 5.31931795
_cell_length_c 8.463712
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.38260463000002
_space_group_name_H-M... |
AddAtomAction | c3e06566-d3e4-4a96-920f-18f0541dcb1a | mp-1227615 | Add one Sb atom at the Cartesian coordinate [ 0.803 0.137 21.036] to the cif file. | data_image0
_chemical_formula_structural Ce4ZrCo25
_chemical_formula_sum "Ce4 Zr1 Co25"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_space_gro... | data_image0
_chemical_formula_structural Ce4ZrCo25Sb
_chemical_formula_sum "Ce4 Zr1 Co25 Sb1"
_cell_length_a 4.00569073
_cell_length_b 4.85437428
_cell_length_c 21.19516167
_cell_angle_alpha 96.43421040999999
_cell_angle_beta 89.99720571
_cell_angle_gamma 90.01281617
_spa... |
AddAtomAction | dc31217e-04c8-4c0b-b314-f8ac19999265 | mp-554918 | Add one Mn atom at the Cartesian coordinate [4.544 3.427 1.846] to the cif file. | data_image0
_chemical_formula_structural BaY6Si3B6O24F2
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_space_grou... | data_image0
_chemical_formula_structural BaY6Si3B6O24F2Mn
_chemical_formula_sum "Ba1 Y6 Si3 B6 O24 F2 Mn1"
_cell_length_a 10.73728785
_cell_length_b 10.73728785
_cell_length_c 4.749868
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999906000001
_spac... |
AddAtomAction | d2945a66-0fd2-4bed-8d6c-a7bd28ad3d7e | mp-17691 | Add one Tc atom at the Cartesian coordinate [1.049 5.33 2.056] to the cif file. | data_image0
_chemical_formula_structural Cu12Sb4S12
_chemical_formula_sum "Cu12 Sb4 S12"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_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 Cu12Sb4S12Tc
_chemical_formula_sum "Cu12 Sb4 S12 Tc1"
_cell_length_a 6.541463
_cell_length_b 8.099059
_cell_length_c 10.268644
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 27d4f8ac-ba1f-4d2e-86a0-417a14e68578 | mp-621667 | Add one Cn atom at the Cartesian coordinate [0.733 1.032 1.474] to the cif file. | data_image0
_chemical_formula_structural Eu6Ag4
_chemical_formula_sum "Eu6 Ag4"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... | data_image0
_chemical_formula_structural Eu6Ag4Cn
_chemical_formula_sum "Eu6 Ag4 Cn1"
_cell_length_a 4.3545106
_cell_length_b 8.43465072
_cell_length_c 8.43467834
_cell_angle_alpha 89.99643163
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | 9f769743-f979-451d-9bc4-03aa3d20eecf | mp-1019788 | Add one Ar atom at the Cartesian coordinate [1.619 6.31 1.532] to the cif file. | data_image0
_chemical_formula_structural K8Al6Si6O24
_chemical_formula_sum "K8 Al6 Si6 O24"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_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 K8Al6Si6O24Ar
_chemical_formula_sum "K8 Al6 Si6 O24 Ar1"
_cell_length_a 9.36018
_cell_length_b 9.36018
_cell_length_c 9.36018
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_s... |
AddAtomAction | 6a7e838f-b7b0-44a1-88ef-67df52ab7d65 | mp-767632 | Add one Ho atom at the Cartesian coordinate [1.396 1.112 1.608] to the cif file. | data_image0
_chemical_formula_structural V4P4O16
_chemical_formula_sum "V4 P4 O16"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_group_na... | data_image0
_chemical_formula_structural V4P4O16Ho
_chemical_formula_sum "V4 P4 O16 Ho1"
_cell_length_a 4.69951386
_cell_length_b 8.649972239999999
_cell_length_c 6.47330008
_cell_angle_alpha 89.99962611
_cell_angle_beta 89.99705793
_cell_angle_gamma 89.99984569
_space_gr... |
AddAtomAction | 450682c4-7229-4c02-83ae-0a2547acee6a | mp-757805 | Add one Cu atom at the Cartesian coordinate [3.211 2.367 2.722] to the cif file. | data_image0
_chemical_formula_structural Li2V2P8O24
_chemical_formula_sum "Li2 V2 P8 O24"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Li2V2P8O24Cu
_chemical_formula_sum "Li2 V2 P8 O24 Cu1"
_cell_length_a 8.754209
_cell_length_b 7.018316
_cell_length_c 7.40438013
_cell_angle_alpha 85.73515165999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
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