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 | 35169355-1155-46f0-8b0e-c6387bafdd9e | mp-26941 | Add one Cf atom at the Cartesian coordinate [3.134 5.829 2.203] to the cif file. | data_image0
_chemical_formula_structural Li4Mn4P4O16
_chemical_formula_sum "Li4 Mn4 P4 O16"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_space_g... | data_image0
_chemical_formula_structural Li4Mn4P4O16Cf
_chemical_formula_sum "Li4 Mn4 P4 O16 Cf1"
_cell_length_a 5.696573
_cell_length_b 6.33341707
_cell_length_c 9.320699319999997
_cell_angle_alpha 76.75482805
_cell_angle_beta 84.48018493
_cell_angle_gamma 75.06026885
_s... |
AddAtomAction | 5244b2dd-412c-4be2-a91c-66dce693a625 | mp-558119 | Add one Cm atom at the Cartesian coordinate [ 4.605 4.551 11.997] to the cif file. | data_image0
_chemical_formula_structural Lu16Mo16O44
_chemical_formula_sum "Lu16 Mo16 O44"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Lu16Mo16O44Cm
_chemical_formula_sum "Lu16 Mo16 O44 Cm1"
_cell_length_a 5.668748
_cell_length_b 10.6688185
_cell_length_c 15.86257151
_cell_angle_alpha 90.49133601
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_a... |
AddAtomAction | c69fb5a4-1387-40a9-8a56-0e890086870b | mp-4344 | Add one Sg atom at the Cartesian coordinate [ 0.814 -0.872 2.228] to the cif file. | data_image0
_chemical_formula_structural Ho2Ta2O8
_chemical_formula_sum "Ho2 Ta2 O8"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space_group... | data_image0
_chemical_formula_structural Ho2Ta2O8Sg
_chemical_formula_sum "Ho2 Ta2 O8 Sg1"
_cell_length_a 5.05083264
_cell_length_b 5.29953956
_cell_length_c 6.47320146
_cell_angle_alpha 111.87127597
_cell_angle_beta 110.58741784
_cell_angle_gamma 95.41100316000002
_space... |
AddAtomAction | b0b305c6-0871-4c44-ab19-5bcef5f11b52 | mp-1206879 | Add one Pu atom at the Cartesian coordinate [7.121 3.373 3.136] to the cif file. | data_image0
_chemical_formula_structural K3AuF6
_chemical_formula_sum "K3 Au1 F6"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_space_gro... | data_image0
_chemical_formula_structural K3AuF6Pu
_chemical_formula_sum "K3 Au1 F6 Pu1"
_cell_length_a 6.98100443
_cell_length_b 8.31863474
_cell_length_c 7.00696936
_cell_angle_alpha 126.91821042999999
_cell_angle_beta 74.76018993
_cell_angle_gamma 98.19393981999998
_spa... |
AddAtomAction | 69c049d2-a978-4c07-a74d-14492406cb0b | mp-1173626 | Add one Fl atom at the Cartesian coordinate [3.662 0.452 1.179] to the cif file. | data_image0
_chemical_formula_structural Nd4C2O10
_chemical_formula_sum "Nd4 C2 O10"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Nd4C2O10Fl
_chemical_formula_sum "Nd4 C2 O10 Fl1"
_cell_length_a 4.03349494
_cell_length_b 4.03349514
_cell_length_c 15.68822464
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 121.82390851
_space_group_name_H-M_alt ... |
AddAtomAction | 6fb57308-aaa0-4ae7-af8e-3179134e14ab | mp-532626 | Add one Md atom at the Cartesian coordinate [1.063 2.473 9.807] to the cif file. | data_image0
_chemical_formula_structural NdAl6Si30N45O3
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
_spac... | data_image0
_chemical_formula_structural NdAl6Si30N45O3Md
_chemical_formula_sum "Nd1 Al6 Si30 N45 O3 Md1"
_cell_length_a 7.872321
_cell_length_b 7.89069507
_cell_length_c 17.14120903
_cell_angle_alpha 90.31063566
_cell_angle_beta 89.88884259
_cell_angle_gamma 119.55659519
... |
AddAtomAction | 51ce76ac-26de-4ed3-9839-fab6cdc520b8 | mp-774947 | Add one Sm atom at the Cartesian coordinate [1.753 0.304 1.326] to the cif file. | data_image0
_chemical_formula_structural Li8Ti4Co14O36
_chemical_formula_sum "Li8 Ti4 Co14 O36"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Li8Ti4Co14O36Sm
_chemical_formula_sum "Li8 Ti4 Co14 O36 Sm1"
_cell_length_a 2.896011
_cell_length_b 8.868692
_cell_length_c 24.938771
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 46b99275-1736-47a5-920b-088fb6c9c373 | mp-1112428 | Add one Tb atom at the Cartesian coordinate [7.504 4.083 4.837] to the cif file. | data_image0
_chemical_formula_structural K2EuAuCl6
_chemical_formula_sum "K2 Eu1 Au1 Cl6"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.99999782
_sp... | data_image0
_chemical_formula_structural K2EuAuCl6Tb
_chemical_formula_sum "K2 Eu1 Au1 Cl6 Tb1"
_cell_length_a 7.631531
_cell_length_b 7.6315315
_cell_length_c 7.6315312099999995
_cell_angle_alpha 59.999999790000004
_cell_angle_beta 59.99999656
_cell_angle_gamma 59.9999978... |
AddAtomAction | 29ca013b-12d3-46a7-8789-9faecbec1159 | mp-1246630 | Add one Pm atom at the Cartesian coordinate [4.07 5.079 1.345] to the cif file. | data_image0
_chemical_formula_structural Ca14Pt2N12
_chemical_formula_sum "Ca14 Pt2 N12"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_group_nam... | data_image0
_chemical_formula_structural Ca14Pt2N12Pm
_chemical_formula_sum "Ca14 Pt2 N12 Pm1"
_cell_length_a 6.33254985
_cell_length_b 9.11908289
_cell_length_c 9.11908289
_cell_angle_alpha 82.20883846
_cell_angle_beta 69.68298343
_cell_angle_gamma 69.68298343
_space_gro... |
AddAtomAction | 9d0cc4f1-9601-499b-8a20-743663ef3d55 | mp-774323 | Add one Tb atom at the Cartesian coordinate [1.479 6.53 3.035] to the cif file. | data_image0
_chemical_formula_structural Li4MnV3P8O28
_chemical_formula_sum "Li4 Mn1 V3 P8 O28"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998
_spa... | data_image0
_chemical_formula_structural Li4MnV3P8O28Tb
_chemical_formula_sum "Li4 Mn1 V3 P8 O28 Tb1"
_cell_length_a 9.59318342
_cell_length_b 9.6385449
_cell_length_c 7.16138384
_cell_angle_alpha 79.76081101
_cell_angle_beta 79.1205151
_cell_angle_gamma 119.11758347999998... |
AddAtomAction | 119f365b-8f26-4ffb-9f2f-cc80086165f9 | mp-1238912 | Add one Fm atom at the Cartesian coordinate [-0.999 2.21 0.089] to the cif file. | data_image0
_chemical_formula_structural Zr3CoF6
_chemical_formula_sum "Zr3 Co1 F6"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_name_H... | data_image0
_chemical_formula_structural Zr3CoF6Fm
_chemical_formula_sum "Zr3 Co1 F6 Fm1"
_cell_length_a 6.99722318
_cell_length_b 5.2410949
_cell_length_c 11.21304371
_cell_angle_alpha 100.66629732
_cell_angle_beta 121.83991844
_cell_angle_gamma 130.9559842
_space_group_... |
AddAtomAction | 5289e440-70b3-4fc7-89b7-1065a15471a6 | mp-1045008 | Add one Ce atom at the Cartesian coordinate [1.571 3.334 2.664] to the cif file. | data_image0
_chemical_formula_structural Ba2AlW3O7
_chemical_formula_sum "Ba2 Al1 W3 O7"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 Ba2AlW3O7Ce
_chemical_formula_sum "Ba2 Al1 W3 O7 Ce1"
_cell_length_a 3.44532
_cell_length_b 4.161211
_cell_length_c 13.564674
_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 | f918f045-b5f6-4620-bff8-a684c803db18 | mp-760233 | Add one Db atom at the Cartesian coordinate [7.249 2.29 1.938] to the cif file. | data_image0
_chemical_formula_structural Mn2CrNi3P6O24
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837645
_... | data_image0
_chemical_formula_structural Mn2CrNi3P6O24Db
_chemical_formula_sum "Mn2 Cr1 Ni3 P6 O24 Db1"
_cell_length_a 8.56250533
_cell_length_b 8.56250533
_cell_length_c 8.562505219999998
_cell_angle_alpha 60.58376907
_cell_angle_beta 60.58376907
_cell_angle_gamma 60.5837... |
AddAtomAction | f2577722-4fbf-429b-9efc-07d4154608b3 | mp-1181218 | Add one Lv atom at the Cartesian coordinate [ 5.076 1.697 11.781] to the cif file. | data_image0
_chemical_formula_structural Mn10Si10O30
_chemical_formula_sum "Mn10 Si10 O30"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.32204255
... | data_image0
_chemical_formula_structural Mn10Si10O30Lv
_chemical_formula_sum "Mn10 Si10 O30 Lv1"
_cell_length_a 5.97153001
_cell_length_b 8.86198514
_cell_length_c 13.087677069999998
_cell_angle_alpha 112.81467957
_cell_angle_beta 90.94879757999999
_cell_angle_gamma 90.322... |
AddAtomAction | 60ef5604-2291-4650-ba00-22d3d46f519a | mp-767746 | Add one Rb atom at the Cartesian coordinate [-2.309 4.15 7.062] to the cif file. | data_image0
_chemical_formula_structural Li12Mn2Fe3O16
_chemical_formula_sum "Li12 Mn2 Fe3 O16"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581400000... | data_image0
_chemical_formula_structural Li12Mn2Fe3O16Rb
_chemical_formula_sum "Li12 Mn2 Fe3 O16 Rb1"
_cell_length_a 5.817165
_cell_length_b 5.85858233
_cell_length_c 9.735296369999999
_cell_angle_alpha 91.61792386
_cell_angle_beta 89.71965537
_cell_angle_gamma 118.8913581... |
AddAtomAction | c0de4a4b-2da1-4149-9725-e28056ba08be | mp-2715422 | Add one Mo atom at the Cartesian coordinate [2.167 7.906 0.279] to the cif file. | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567243299... | data_image0
_chemical_formula_structural Na12Sc4Al4P12O48Mo
_chemical_formula_sum "Na12 Sc4 Al4 P12 O48 Mo1"
_cell_length_a 15.30176184
_cell_length_b 8.79478446
_cell_length_c 8.85877168
_cell_angle_alpha 90.10127945
_cell_angle_beta 124.79781841
_cell_angle_gamma 89.9567... |
AddAtomAction | f3a53d13-9973-4cf3-b7d9-24c71c9ddbd9 | mp-12109 | Add one Pm atom at the Cartesian coordinate [-0.43 2.779 1.823] to the cif file. | data_image0
_chemical_formula_structural Zr4Re8
_chemical_formula_sum "Zr4 Re8"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zr4Re8Pm
_chemical_formula_sum "Zr4 Re8 Pm1"
_cell_length_a 5.28464166
_cell_length_b 5.28464215
_cell_length_c 8.65682963
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000331
_space_group_name_H-M_alt "P ... |
AddAtomAction | 7f910b84-42ff-47ef-b915-d0c3a7116a08 | mp-758218 | Add one Sm atom at the Cartesian coordinate [2.599 8.282 1.66 ] to the cif file. | data_image0
_chemical_formula_structural Li4Ti4P8O28
_chemical_formula_sum "Li4 Ti4 P8 O28"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Li4Ti4P8O28Sm
_chemical_formula_sum "Li4 Ti4 P8 O28 Sm1"
_cell_length_a 5.179646
_cell_length_b 8.678552
_cell_length_c 13.48411447
_cell_angle_alpha 62.84568576
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | c58b29a9-8528-42c7-9ac5-2d463b41a936 | mp-1520271 | Add one H atom at the Cartesian coordinate [9.722 3.393 4.864] to the cif file. | data_image0
_chemical_formula_structural BaNdEuBiO6
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999... | data_image0
_chemical_formula_structural BaNdEuBiO6H
_chemical_formula_sum "Ba1 Nd1 Eu1 Bi1 O6 H1"
_cell_length_a 6.23844538
_cell_length_b 6.23844538
_cell_length_c 6.23844538
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.99... |
AddAtomAction | 599218bf-ee44-4ce5-aa14-38b380f0e90c | mp-1203577 | Add one Ru atom at the Cartesian coordinate [-5.359 1.83 20.992] to the cif file. | data_image0
_chemical_formula_structural U4C8Se8N8O44
_chemical_formula_sum "U4 C8 Se8 N8 O44"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural U4C8Se8N8O44Ru
_chemical_formula_sum "U4 C8 Se8 N8 O44 Ru1"
_cell_length_a 8.69981
_cell_length_b 7.897119
_cell_length_c 23.5070027
_cell_angle_alpha 90.0
_cell_angle_beta 108.34456124
_cell_angle_gamma 90.0
_space_group_name_H-M_... |
AddAtomAction | 32e5fe83-1ec8-4553-882f-1514de3dd7c8 | mp-2228450 | Add one Rf atom at the Cartesian coordinate [3.2 0.197 2.711] to 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 MgMn3Cd2O8Rf
_chemical_formula_sum "Mg1 Mn3 Cd2 O8 Rf1"
_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 89.5243589000... |
AddAtomAction | b1bcdc9b-3486-4200-976d-0c6710674d6c | mp-1104064 | Add one Cm atom at the Cartesian coordinate [5.106 1.93 4.156] to the cif file. | data_image0
_chemical_formula_structural Zn2H2I2O8
_chemical_formula_sum "Zn2 H2 I2 O8"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_group_... | data_image0
_chemical_formula_structural Zn2H2I2O8Cm
_chemical_formula_sum "Zn2 H2 I2 O8 Cm1"
_cell_length_a 5.490621
_cell_length_b 6.42136829
_cell_length_c 6.49405885
_cell_angle_alpha 87.42944496000001
_cell_angle_beta 64.99219106
_cell_angle_gamma 83.90990428
_space_... |
AddAtomAction | be406b5e-31c2-4bbd-baf2-a19edfbf1930 | mp-666156 | Add one Br atom at the Cartesian coordinate [1.888 4.023 2.358] to the cif file. | data_image0
_chemical_formula_structural Na4Te8O18
_chemical_formula_sum "Na4 Te8 O18"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_space_grou... | data_image0
_chemical_formula_structural Na4Te8O18Br
_chemical_formula_sum "Na4 Te8 O18 Br1"
_cell_length_a 7.007354
_cell_length_b 7.49488785
_cell_length_c 10.77485356
_cell_angle_alpha 109.56126807
_cell_angle_beta 91.05942188000002
_cell_angle_gamma 109.51584756
_spac... |
AddAtomAction | b79f23e4-3192-4f51-8979-c2ef3bcc27c0 | mp-1208560 | Add one Cl atom at the Cartesian coordinate [3.482 2.695 5.327] to the cif file. | data_image0
_chemical_formula_structural Ta2Tl2Cl12
_chemical_formula_sum "Ta2 Tl2 Cl12"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... | data_image0
_chemical_formula_structural Ta2Tl2Cl13
_chemical_formula_sum "Ta2 Tl2 Cl13"
_cell_length_a 6.71945144
_cell_length_b 6.71945144
_cell_length_c 11.997800679999997
_cell_angle_alpha 79.75547407
_cell_angle_beta 79.75547407
_cell_angle_gamma 55.558061880000004
_... |
AddAtomAction | c9c6be6a-0b9f-42b1-992d-b11f0e794b2e | mp-850933 | Add one Ba atom at the Cartesian coordinate [-0.993 1.191 2.398] to the cif file. | data_image0
_chemical_formula_structural Fe8O14F2
_chemical_formula_sum "Fe8 O14 F2"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P 1"
_s... | data_image0
_chemical_formula_structural Fe8O14F2Ba
_chemical_formula_sum "Fe8 O14 F2 Ba1"
_cell_length_a 7.3298373
_cell_length_b 7.3298373
_cell_length_c 6.441564
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 131.54122322
_space_group_name_H-M_alt "P... |
AddAtomAction | e8f9ede5-1b22-43d3-b677-4af618672c68 | mp-1102559 | Add one Tm atom at the Cartesian coordinate [ 1.291 0.565 24.667] to the cif file. | data_image0
_chemical_formula_structural Nb4Se8
_chemical_formula_sum "Nb4 Se8"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Nb4Se8Tm
_chemical_formula_sum "Nb4 Se8 Tm1"
_cell_length_a 3.51574606
_cell_length_b 3.51574606
_cell_length_c 26.20355334
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000596000001
_space_group_name_H-M_alt... |
AddAtomAction | 61c53f1e-aac8-4650-91f3-f41cdcfc1cf7 | mp-979979 | Add one Nb atom at the Cartesian coordinate [5.388 0.81 3.045] to the cif file. | data_image0
_chemical_formula_structural Sm6Sb8Au6
_chemical_formula_sum "Sm6 Sb8 Au6"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_group_na... | data_image0
_chemical_formula_structural Sm6Sb8Au6Nb
_chemical_formula_sum "Sm6 Sb8 Au6 Nb1"
_cell_length_a 8.66406727
_cell_length_b 8.66406727
_cell_length_c 8.66406727
_cell_angle_alpha 109.47119828
_cell_angle_beta 109.47119828
_cell_angle_gamma 109.47119828
_space_gr... |
AddAtomAction | 8c3bade6-9508-4fb7-98ea-c982b3e739c7 | mp-1196015 | Add one Ca atom at the Cartesian coordinate [3.525 1.103 2.837] to the cif file. | data_image0
_chemical_formula_structural Cs8P4Au4S16
_chemical_formula_sum "Cs8 P4 Au4 S16"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_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 Cs8P4Au4S16Ca
_chemical_formula_sum "Cs8 P4 Au4 S16 Ca1"
_cell_length_a 7.154088
_cell_length_b 7.290651
_cell_length_c 20.458374
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ebd5f2c4-44e8-4b96-b012-abb35c2aed51 | mp-756272 | Add one Os atom at the Cartesian coordinate [4.096 2.72 5.641] to the cif file. | data_image0
_chemical_formula_structural La4Dy4O12
_chemical_formula_sum "La4 Dy4 O12"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 La4Dy4O12Os
_chemical_formula_sum "La4 Dy4 O12 Os1"
_cell_length_a 5.941605
_cell_length_b 6.1279
_cell_length_c 8.576976
_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 | 2d8096fa-5408-4ec0-b52a-e59351e0ae6c | mp-756666 | Add one Rg atom at the Cartesian coordinate [3.948 1.08 3.364] to the cif file. | data_image0
_chemical_formula_structural Ba2Ca2I8
_chemical_formula_sum "Ba2 Ca2 I8"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.03288288
_sp... | data_image0
_chemical_formula_structural Ba2Ca2I8Rg
_chemical_formula_sum "Ba2 Ca2 I8 Rg1"
_cell_length_a 10.31772053
_cell_length_b 10.31772053
_cell_length_c 10.31772053
_cell_angle_alpha 133.39603304999997
_cell_angle_beta 133.39603304999997
_cell_angle_gamma 68.0328828... |
AddAtomAction | f1b56055-8882-44cf-b945-250f67cd67fe | mp-1179847 | Add one Ge atom at the Cartesian coordinate [0.55 4.906 3.395] to the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8
_chemical_formula_sum "Pt4 N8 Cl8"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 Pt4N8Cl8Ge
_chemical_formula_sum "Pt4 N8 Cl8 Ge1"
_cell_length_a 5.209054
_cell_length_b 9.201537
_cell_length_c 9.42545
_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 | f8e5ca34-8a0c-468d-adca-1fd95cd8bd70 | mp-8081 | Add one In atom at the Cartesian coordinate [2.125 0.426 0.99 ] to the cif file. | data_image0
_chemical_formula_structural Na4Sn2F12
_chemical_formula_sum "Na4 Sn2 F12"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_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 Na4Sn2F12In
_chemical_formula_sum "Na4 Sn2 F12 In1"
_cell_length_a 5.02261199
_cell_length_b 5.02261199
_cell_length_c 10.03062163
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 8c3d2977-a3ac-4d08-a8c2-b0cdb46ded72 | mp-23565 | Add one Hf atom at the Cartesian coordinate [0.85 1.701 0.424] to the cif file. | data_image0
_chemical_formula_structural Cr4AgBiO14
_chemical_formula_sum "Cr4 Ag1 Bi1 O14"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498199999... | data_image0
_chemical_formula_structural Cr4AgBiO14Hf
_chemical_formula_sum "Cr4 Ag1 Bi1 O14 Hf1"
_cell_length_a 7.38139862
_cell_length_b 7.38139862
_cell_length_c 7.381398620000001
_cell_angle_alpha 108.40324961
_cell_angle_beta 108.40324961
_cell_angle_gamma 111.6289498... |
AddAtomAction | ea4d53cd-d4aa-4219-82b0-7a7d5214c203 | mp-1197284 | Add one Ra atom at the Cartesian coordinate [5.806 3.009 4.15 ] to the cif file. | data_image0
_chemical_formula_structural B12Pb6O22F4
_chemical_formula_sum "B12 Pb6 O22 F4"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural B12Pb6O22F4Ra
_chemical_formula_sum "B12 Pb6 O22 F4 Ra1"
_cell_length_a 8.455164
_cell_length_b 6.688282
_cell_length_c 10.14979484
_cell_angle_alpha 76.62846595
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 8fffdb9a-ff1d-40a1-9215-3e6c901c1b77 | mp-1520792 | Add one Fr atom at the Cartesian coordinate [3.847 2.861 4.123] to the cif file. | data_image0
_chemical_formula_structural KLaZrTiO6
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 60.00... | data_image0
_chemical_formula_structural KLaZrTiO6Fr
_chemical_formula_sum "K1 La1 Zr1 Ti1 O6 Fr1"
_cell_length_a 5.73639345
_cell_length_b 5.73639345
_cell_length_c 5.736393449999999
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
AddAtomAction | ba2305da-681e-4a4d-89d6-756681e1d5f0 | mp-1182975 | Add one Tm atom at the Cartesian coordinate [8.297 5.918 2.07 ] to the cif file. | data_image0
_chemical_formula_structural Al2N8Cl8
_chemical_formula_sum "Al2 N8 Cl8"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_space_g... | data_image0
_chemical_formula_structural Al2N8Cl8Tm
_chemical_formula_sum "Al2 N8 Cl8 Tm1"
_cell_length_a 9.69665784
_cell_length_b 9.69665784
_cell_length_c 4.07384405
_cell_angle_alpha 83.34149431000002
_cell_angle_beta 83.34149431000002
_cell_angle_gamma 62.09078063
_s... |
AddAtomAction | f0ac4a04-714b-4267-8315-da43dea5d3ae | mp-1214464 | Add one Sb atom at the Cartesian coordinate [9.906 3.264 1.932] to the cif file. | data_image0
_chemical_formula_structural Ca2Nb2O24F4
_chemical_formula_sum "Ca2 Nb2 O24 F4"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999... | data_image0
_chemical_formula_structural Ca2Nb2O24F4Sb
_chemical_formula_sum "Ca2 Nb2 O24 F4 Sb1"
_cell_length_a 7.59644815
_cell_length_b 7.5964481500000005
_cell_length_c 7.59644815
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma ... |
AddAtomAction | b4c06609-f6d0-47f0-8be9-375a7465c681 | mp-10091 | Add one Cn atom at the Cartesian coordinate [7.311 1.511 6.961] to the cif file. | data_image0
_chemical_formula_structural K2V2Cu4Se8
_chemical_formula_sum "K2 V2 Cu4 Se8"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural K2V2Cu4Se8Cn
_chemical_formula_sum "K2 V2 Cu4 Se8 Cn1"
_cell_length_a 9.80277711
_cell_length_b 9.80277711
_cell_length_c 7.708865
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 146.74359664
_space_group_name_H-M_al... |
AddAtomAction | 848524c0-4338-4a8f-9b88-23f90dac1570 | mp-1190979 | Add one In atom at the Cartesian coordinate [8.483 6.25 5.241] to the cif file. | data_image0
_chemical_formula_structural Sc16Ir8
_chemical_formula_sum "Sc16 Ir8"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
_spac... | data_image0
_chemical_formula_structural Sc16Ir8In
_chemical_formula_sum "Sc16 Ir8 In1"
_cell_length_a 8.69136518
_cell_length_b 8.69136372
_cell_length_c 8.69136591
_cell_angle_alpha 59.99999168000001
_cell_angle_beta 59.99999723000001
_cell_angle_gamma 59.99999999999999
... |
AddAtomAction | e2471e75-33be-467d-8502-3b408af67e22 | mp-1201588 | Add one Rn atom at the Cartesian coordinate [-0.338 7.468 1.258] to the cif file. | data_image0
_chemical_formula_structural Nd12Fe26Hg2
_chemical_formula_sum "Nd12 Fe26 Hg2"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Nd12Fe26Hg2Rn
_chemical_formula_sum "Nd12 Fe26 Hg2 Rn1"
_cell_length_a 8.093624
_cell_length_b 8.093624
_cell_length_c 12.82748412
_cell_angle_alpha 108.38978071999999
_cell_angle_beta 108.38978071999999
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | 7a2fc6c1-fb26-4fe0-8b84-489c71d9ca71 | mp-23675 | Add one Ta atom at the Cartesian coordinate [1.674 2.01 4.967] to the cif file. | data_image0
_chemical_formula_structural H8Br2N2
_chemical_formula_sum "H8 Br2 N2"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_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 H8Br2N2Ta
_chemical_formula_sum "H8 Br2 N2 Ta1"
_cell_length_a 4.10672895
_cell_length_b 5.7148727
_cell_length_c 5.7148727
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spa... |
AddAtomAction | 8ebda210-e802-4b37-8e8d-a3b9e9a878e4 | mp-1182382 | Add one Pr atom at the Cartesian coordinate [1.53 2.321 5.052] to the cif file. | data_image0
_chemical_formula_structural Ca2O20
_chemical_formula_sum "Ca2 O20"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Ca2O20Pr
_chemical_formula_sum "Ca2 O20 Pr1"
_cell_length_a 5.608848
_cell_length_b 5.608848
_cell_length_c 8.40503
_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... |
AddAtomAction | 374315ce-7a92-4333-a0eb-4dfbfdfb3021 | mp-1223078 | Add one Ce atom at the Cartesian coordinate [5.116 5.491 3.069] to the cif file. | data_image0
_chemical_formula_structural La4PtO7
_chemical_formula_sum "La4 Pt1 O7"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group_name_... | data_image0
_chemical_formula_structural La4PtO7Ce
_chemical_formula_sum "La4 Pt1 O7 Ce1"
_cell_length_a 4.04811
_cell_length_b 7.0303997
_cell_length_c 7.260364889999999
_cell_angle_alpha 83.63762465
_cell_angle_beta 73.88793015
_cell_angle_gamma 73.36609447
_space_group... |
AddAtomAction | ab7a2c37-fe6d-452f-a707-29652a8b23ba | mp-567505 | Add one S atom at the Cartesian coordinate [2.212 0.881 2.884] to the cif file. | data_image0
_chemical_formula_structural Si8C8
_chemical_formula_sum "Si8 C8"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Si8C8S
_chemical_formula_sum "Si8 C8 S1"
_cell_length_a 3.07718443
_cell_length_b 3.0771829699999995
_cell_length_c 20.12563135
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998351
_space_group_name_H-M_alt ... |
AddAtomAction | 4a5c1430-dd49-43fa-9203-6f9e7ac7a272 | mp-2232136 | Add one F atom at the Cartesian coordinate [4.11 2.772 1.688] to the cif file. | data_image0
_chemical_formula_structural K2RbTbMgV2O8
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_space_gr... | data_image0
_chemical_formula_structural K2RbTbMgV2O8F
_chemical_formula_sum "K2 Rb1 Tb1 Mg1 V2 O8 F1"
_cell_length_a 6.198612
_cell_length_b 6.22052788
_cell_length_c 8.38343734
_cell_angle_alpha 93.4753762
_cell_angle_beta 90.0
_cell_angle_gamma 119.88352324999998
_spac... |
AddAtomAction | 67b85bbd-a203-4ec7-aecd-674cb99cd536 | mp-768242 | Add one Cd atom at the Cartesian coordinate [0.074 4.451 0.47 ] to the cif file. | data_image0
_chemical_formula_structural Pt4O12
_chemical_formula_sum "Pt4 O12"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_nu... | data_image0
_chemical_formula_structural Pt4O12Cd
_chemical_formula_sum "Pt4 O12 Cd1"
_cell_length_a 4.92863
_cell_length_b 5.027478
_cell_length_c 7.210065
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group... |
AddAtomAction | 7d8da138-8b01-4721-85c1-bad579620ebf | mp-540477 | Add one Cf atom at the Cartesian coordinate [-1.465 4.261 5.558] to the cif file. | data_image0
_chemical_formula_structural Li2MnP4O12
_chemical_formula_sum "Li2 Mn1 P4 O12"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.98866200000002
_sp... | data_image0
_chemical_formula_structural Li2MnP4O12Cf
_chemical_formula_sum "Li2 Mn1 P4 O12 Cf1"
_cell_length_a 5.000676
_cell_length_b 7.1133524
_cell_length_c 7.53390146
_cell_angle_alpha 113.78511957
_cell_angle_beta 83.76622122999999
_cell_angle_gamma 107.9886620000000... |
AddAtomAction | 0b5731b4-46be-45c2-90db-f0983b6f883b | mp-1219571 | Add one Sb atom at the Cartesian coordinate [-0.465 1.165 2.028] to the cif file. | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12
_chemical_formula_sum "Rb2 Mg2 Cr2 F12"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_space_gr... | data_image0
_chemical_formula_structural Rb2Mg2Cr2F12Sb
_chemical_formula_sum "Rb2 Mg2 Cr2 F12 Sb1"
_cell_length_a 7.34984894
_cell_length_b 7.34984894
_cell_length_c 7.34984894
_cell_angle_alpha 120.32613441
_cell_angle_beta 120.01187209
_cell_angle_gamma 89.70774276
_sp... |
AddAtomAction | 8263e296-7734-448b-b62c-3bd72b159b4b | mp-1200661 | Add one Pu atom at the Cartesian coordinate [ 2.014 2.03 17.362] to the cif file. | data_image0
_chemical_formula_structural K4Na12In36
_chemical_formula_sum "K4 Na12 In36"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_name_H-M_... | data_image0
_chemical_formula_structural K4Na12In36Pu
_chemical_formula_sum "K4 Na12 In36 Pu1"
_cell_length_a 9.90093006
_cell_length_b 9.90093006
_cell_length_c 17.79098968
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 117.70560703999999
_space_group_nam... |
AddAtomAction | 8d55282c-9dc0-480e-a7f0-344d4329296a | mp-1198231 | Add one Ce atom at the Cartesian coordinate [ 1.906 4.834 16.385] to the cif file. | data_image0
_chemical_formula_structural Tl8V8P8O48
_chemical_formula_sum "Tl8 V8 P8 O48"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 Tl8V8P8O48Ce
_chemical_formula_sum "Tl8 V8 P8 O48 Ce1"
_cell_length_a 6.827148
_cell_length_b 9.69264
_cell_length_c 18.06332
_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 | d06597a6-387a-4f00-97a7-502e02b68d9f | mp-752818 | Add one Au atom at the Cartesian coordinate [1.453 0. 5.531] to the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Au
_chemical_formula_sum "Li4 Co7 O3 F13 Au1"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
AddAtomAction | f771e7aa-84a0-4ec1-a283-8f065091af9e | mp-1218449 | Add one At atom at the Cartesian coordinate [2.793 3.553 3.552] to the cif file. | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12
_chemical_formula_sum "Sr2 Ca6 Ir2 O12"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_group_na... | data_image0
_chemical_formula_structural Sr2Ca6Ir2O12At
_chemical_formula_sum "Sr2 Ca6 Ir2 O12 At1"
_cell_length_a 6.682358
_cell_length_b 6.682358
_cell_length_c 6.72167424
_cell_angle_alpha 89.13156517
_cell_angle_beta 89.13156517
_cell_angle_gamma 91.72627208
_space_gr... |
AddAtomAction | f8bab5e9-0e5b-46ba-86e2-55c1674867cd | mp-1182238 | Add one O atom at the Cartesian coordinate [-3.955 6.641 8.288] to the cif file. | data_image0
_chemical_formula_structural Ba8O16
_chemical_formula_sum "Ba8 O16"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... | data_image0
_chemical_formula_structural Ba8O17
_chemical_formula_sum "Ba8 O17"
_cell_length_a 5.825256
_cell_length_b 7.683604
_cell_length_c 11.12830026
_cell_angle_alpha 90.0
_cell_angle_beta 121.17026293
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space... |
AddAtomAction | 9f272332-9c02-4b8f-8f88-739a95fd0184 | mp-627591 | Add one Mo atom at the Cartesian coordinate [5.547 7.011 0.885] to the cif file. | data_image0
_chemical_formula_structural Fe8Si4S16
_chemical_formula_sum "Fe8 Si4 S16"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... | data_image0
_chemical_formula_structural Fe8Si4S16Mo
_chemical_formula_sum "Fe8 Si4 S16 Mo1"
_cell_length_a 5.808157
_cell_length_b 7.026927
_cell_length_c 12.166527
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... |
AddAtomAction | 95f8d454-1456-4afc-a074-38058af9dba3 | mp-22106 | Add one Er atom at the Cartesian coordinate [0.223 2.934 1.196] to the cif file. | data_image0
_chemical_formula_structural Nd4Ni4O12
_chemical_formula_sum "Nd4 Ni4 O12"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_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 Nd4Ni4O12Er
_chemical_formula_sum "Nd4 Ni4 O12 Er1"
_cell_length_a 5.38376377
_cell_length_b 5.38857796
_cell_length_c 7.604511
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | a8f667ce-4a75-4595-8016-ce86464feed8 | mp-27707 | Add one Og atom at the Cartesian coordinate [0.623 6.049 4.843] to the cif file. | data_image0
_chemical_formula_structural Rb2Co2Cl6
_chemical_formula_sum "Rb2 Co2 Cl6"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Rb2Co2Cl6Og
_chemical_formula_sum "Rb2 Co2 Cl6 Og1"
_cell_length_a 7.01762171
_cell_length_b 7.01762004
_cell_length_c 5.94230516
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99998953
_space_group_name_H-M_alt... |
AddAtomAction | 7f4ae498-90a2-436f-825e-d96e23fa0fbd | mp-1196261 | Add one U atom at the Cartesian coordinate [0.324 6.528 6.72 ] to the cif file. | data_image0
_chemical_formula_structural Sb8Xe4F38
_chemical_formula_sum "Sb8 Xe4 F38"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Sb8Xe4F38U
_chemical_formula_sum "Sb8 Xe4 F38 U1"
_cell_length_a 8.929818
_cell_length_b 10.95166
_cell_length_c 15.92144232
_cell_angle_alpha 50.14639231
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | 32d1ab38-7696-4a1c-bd6e-c965d5989337 | mp-559062 | Add one Fr atom at the Cartesian coordinate [2.07 5.629 5.916] to the cif file. | data_image0
_chemical_formula_structural K4P4O8F8
_chemical_formula_sum "K4 P4 O8 F8"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_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 K4P4O8F8Fr
_chemical_formula_sum "K4 P4 O8 F8 Fr1"
_cell_length_a 6.16242579
_cell_length_b 7.53508156
_cell_length_c 7.89272309
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... |
AddAtomAction | e5c9c2fb-2d23-44b3-85f0-1791128e9851 | mp-1223827 | Add one Np atom at the Cartesian coordinate [0.493 0.352 1.283] to the cif file. | data_image0
_chemical_formula_structural K2NaNbO2F4
_chemical_formula_sum "K2 Na1 Nb1 O2 F4"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_space_gro... | data_image0
_chemical_formula_structural K2NaNbO2F4Np
_chemical_formula_sum "K2 Na1 Nb1 O2 F4 Np1"
_cell_length_a 6.08373758
_cell_length_b 6.08373758
_cell_length_c 6.08373758
_cell_angle_alpha 119.25012591
_cell_angle_beta 119.25012591
_cell_angle_gamma 91.30380248
_spa... |
AddAtomAction | d5f73f36-cae9-462d-a89d-ef25c607bac3 | mp-1043245 | Add one Co atom at the Cartesian coordinate [7.76 4.597 3.803] to the cif file. | data_image0
_chemical_formula_structural Co2Ge4O12
_chemical_formula_sum "Co2 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_spa... | data_image0
_chemical_formula_structural Co2Ge4O12Co
_chemical_formula_sum "Co3 Ge4 O12"
_cell_length_a 6.67167504
_cell_length_b 6.671675039999999
_cell_length_c 5.552864590000001
_cell_angle_alpha 77.01375399
_cell_angle_beta 77.01375399
_cell_angle_gamma 83.37240365
_s... |
AddAtomAction | 23f8d3ac-a9e8-4541-99b7-14f8710b76b4 | mp-1043973 | Add one Rg atom at the Cartesian coordinate [0.949 4.699 3.31 ] to the cif file. | data_image0
_chemical_formula_structural Zn2W8O18
_chemical_formula_sum "Zn2 W8 O18"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_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 Zn2W8O18Rg
_chemical_formula_sum "Zn2 W8 O18 Rg1"
_cell_length_a 9.78948
_cell_length_b 9.78948
_cell_length_c 3.87883
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_gr... |
AddAtomAction | 7680f642-0a0b-42de-b525-9757c3200691 | mp-15203 | Add one P atom at the Cartesian coordinate [1.309 8.295 0.043] to 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 Li12Ca24W8N32O6P
_chemical_formula_sum "Li12 Ca24 W8 N32 O6 P1"
_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_... |
AddAtomAction | 9a19c72c-8b56-46e6-9363-3068e8326a34 | mp-779456 | Add one Ti atom at the Cartesian coordinate [1.164 0.349 2.837] to the cif file. | data_image0
_chemical_formula_structural Y8Re4O20
_chemical_formula_sum "Y8 Re4 O20"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_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 Y8Re4O20Ti
_chemical_formula_sum "Y8 Re4 O20 Ti1"
_cell_length_a 8.49838607
_cell_length_b 8.49838607
_cell_length_c 5.6294274
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 0ce2ca74-68ca-4fa4-bda2-dbcd3a86d7c4 | mp-752818 | Add one Os atom at the Cartesian coordinate [2.9 0.508 0.516] to the cif file. | data_image0
_chemical_formula_structural Li4Co7O3F13
_chemical_formula_sum "Li4 Co7 O3 F13"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_space_gro... | data_image0
_chemical_formula_structural Li4Co7O3F13Os
_chemical_formula_sum "Li4 Co7 O3 F13 Os1"
_cell_length_a 6.17185525
_cell_length_b 6.09317751
_cell_length_c 10.53983558
_cell_angle_alpha 105.48486365
_cell_angle_beta 73.19645649
_cell_angle_gamma 120.72935656
_spa... |
AddAtomAction | a9475f69-9cb9-4c1b-b8f1-9e406eacb1cf | mp-1200075 | Add one Cu atom at the Cartesian coordinate [1.805 1.443 3.211] to the cif file. | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6523140... | data_image0
_chemical_formula_structural H26Pt2C6N6Cl4O2Cu
_chemical_formula_sum "H26 Pt2 C6 N6 Cl4 O2 Cu1"
_cell_length_a 6.42302
_cell_length_b 7.24643047
_cell_length_c 12.074872770000002
_cell_angle_alpha 105.79134456
_cell_angle_beta 96.57896163
_cell_angle_gamma 98.6... |
AddAtomAction | 1106f9a9-47fc-4792-90d1-f594f51595e8 | mp-1178412 | Add one Lv atom at the Cartesian coordinate [4.344 0.549 8.039] to the cif file. | data_image0
_chemical_formula_structural Cr2Co2P4O16
_chemical_formula_sum "Cr2 Co2 P4 O16"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural Cr2Co2P4O16Lv
_chemical_formula_sum "Cr2 Co2 P4 O16 Lv1"
_cell_length_a 5.802582
_cell_length_b 4.791475
_cell_length_c 9.920894130000002
_cell_angle_alpha 89.89668048
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_... |
AddAtomAction | e4f14a74-2216-461b-a374-856dba3eebda | mp-581602 | Add one Db atom at the Cartesian coordinate [66.211 3.211 1.928] to the cif file. | data_image0
_chemical_formula_structural Zn12S12
_chemical_formula_sum "Zn12 S12"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.845026259999922
_s... | data_image0
_chemical_formula_structural Zn12S12Db
_chemical_formula_sum "Zn12 S12 Db1"
_cell_length_a 37.83798865
_cell_length_b 37.83798863
_cell_length_c 37.83798932
_cell_angle_alpha 5.84502688000007
_cell_angle_beta 5.8450271900000885
_cell_angle_gamma 5.8450262599999... |
AddAtomAction | 8f77ae59-e656-4c5b-ad96-18d63e826436 | mp-756136 | Add one Mg atom at the Cartesian coordinate [0.026 4.057 6.262] to the cif file. | data_image0
_chemical_formula_structural Ca4Pb4I16
_chemical_formula_sum "Ca4 Pb4 I16"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... | data_image0
_chemical_formula_structural Ca4Pb4I16Mg
_chemical_formula_sum "Ca4 Pb4 I16 Mg1"
_cell_length_a 7.828612
_cell_length_b 9.521077
_cell_length_c 17.60842554
_cell_angle_alpha 60.66186524
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 6da9b9ec-a24e-4bad-8436-45795e5e1451 | mp-1216973 | Add one Er atom at the Cartesian coordinate [ 7.044 0.428 10.815] to the cif file. | data_image0
_chemical_formula_structural Tm14Mg6Ge16
_chemical_formula_sum "Tm14 Mg6 Ge16"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Tm14Mg6Ge16Er
_chemical_formula_sum "Tm14 Mg6 Ge16 Er1"
_cell_length_a 7.088886
_cell_length_b 7.702611
_cell_length_c 14.32700303
_cell_angle_alpha 89.99647275
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | dae136e9-1749-4ee8-8e0a-27b8d2f7afaa | mp-1195679 | Add one Ir atom at the Cartesian coordinate [ 0.609 1.883 13.172] to the cif file. | data_image0
_chemical_formula_structural Cs4Th2Si12O30
_chemical_formula_sum "Cs4 Th2 Si12 O30"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cs4Th2Si12O30Ir
_chemical_formula_sum "Cs4 Th2 Si12 O30 Ir1"
_cell_length_a 7.31475292
_cell_length_b 9.02903799
_cell_length_c 13.67658044
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 113.89540632
_space_group_na... |
AddAtomAction | dc9c55c1-9edd-426e-bff6-266444946460 | mp-2232113 | Add one O atom at the Cartesian coordinate [6.963 3.191 0.507] to the cif file. | data_image0
_chemical_formula_structural MgFe4Hg2O8
_chemical_formula_sum "Mg1 Fe4 Hg2 O8"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... | data_image0
_chemical_formula_structural MgFe4Hg2O9
_chemical_formula_sum "Mg1 Fe4 Hg2 O9"
_cell_length_a 6.22845674
_cell_length_b 6.557384129999999
_cell_length_c 6.557384130000001
_cell_angle_alpha 58.85205474
_cell_angle_beta 61.64590332
_cell_angle_gamma 61.64590332
... |
AddAtomAction | 29a7d039-2a00-4f14-93c2-910471126107 | mp-17235 | Add one Os atom at the Cartesian coordinate [1.133 5.379 6.202] to the cif file. | data_image0
_chemical_formula_structural Sm8Si8O28
_chemical_formula_sum "Sm8 Si8 O28"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_name_H... | data_image0
_chemical_formula_structural Sm8Si8O28Os
_chemical_formula_sum "Sm8 Si8 O28 Os1"
_cell_length_a 5.40274745
_cell_length_b 8.5571296
_cell_length_c 12.89311893
_cell_angle_alpha 90.5950217
_cell_angle_beta 91.38861791
_cell_angle_gamma 92.56657233
_space_group_... |
AddAtomAction | e83e0ec9-947c-4b36-83ae-f8882f7e9a39 | mp-1247179 | Add one Bk atom at the Cartesian coordinate [3.431 3.273 0.84 ] to the cif file. | data_image0
_chemical_formula_structural Mn12In32N36
_chemical_formula_sum "Mn12 In32 N36"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... | data_image0
_chemical_formula_structural Mn12In32N36Bk
_chemical_formula_sum "Mn12 In32 N36 Bk1"
_cell_length_a 7.14848932
_cell_length_b 11.41523106
_cell_length_c 18.08871383
_cell_angle_alpha 90.0
_cell_angle_beta 112.29965589
_cell_angle_gamma 90.0
_space_group_name_H... |
AddAtomAction | 56fa2c84-7db8-4a22-a212-b44908b877a4 | mp-721246 | Add one U atom at the Cartesian coordinate [ 0.569 9.589 11.325] to the cif file. | data_image0
_chemical_formula_structural Sr12Co2C4N14
_chemical_formula_sum "Sr12 Co2 C4 N14"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_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 Sr12Co2C4N14U
_chemical_formula_sum "Sr12 Co2 C4 N14 U1"
_cell_length_a 3.869881
_cell_length_b 9.893229
_cell_length_c 14.690993
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | ab23e872-9740-4d28-91df-c743dcc91aa1 | mp-1174755 | Add one Db atom at the Cartesian coordinate [2.866 1.376 7.872] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
_space... | data_image0
_chemical_formula_structural Li8Mn2Co4O14Db
_chemical_formula_sum "Li8 Mn2 Co4 O14 Db1"
_cell_length_a 3.01693
_cell_length_b 7.782994629999999
_cell_length_c 11.13144051
_cell_angle_alpha 79.73668353
_cell_angle_beta 83.08501102
_cell_angle_gamma 82.67460304
... |
AddAtomAction | c33dec6e-debc-4fdb-8c5a-3cf698140102 | mp-1196633 | Add one Pr atom at the Cartesian coordinate [ 0.221 10.794 5.95 ] to the cif file. | data_image0
_chemical_formula_structural HgH36C14S8O12F6
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.986434
... | data_image0
_chemical_formula_structural HgH36C14S8O12F6Pr
_chemical_formula_sum "Hg1 H36 C14 S8 O12 F6 Pr1"
_cell_length_a 7.019827
_cell_length_b 12.53952735
_cell_length_c 12.54751375
_cell_angle_alpha 60.05261260999998
_cell_angle_beta 89.9974794
_cell_angle_gamma 89.9... |
AddAtomAction | fca2e210-45e0-493e-af71-8fcdb0111c6f | mp-1199158 | Add one Pr atom at the Cartesian coordinate [2.528 5.108 7.643] to the cif file. | data_image0
_chemical_formula_structural Tm22Sn20
_chemical_formula_sum "Tm22 Sn20"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_space_gro... | data_image0
_chemical_formula_structural Tm22Sn20Pr
_chemical_formula_sum "Tm22 Sn20 Pr1"
_cell_length_a 11.45480707
_cell_length_b 11.45479935
_cell_length_c 11.668714679999999
_cell_angle_alpha 119.39541026
_cell_angle_beta 119.39545657000001
_cell_angle_gamma 90.0
_spa... |
AddAtomAction | 5867bee3-cc9a-49ae-a2a4-f769f35ec174 | mp-1225690 | Add one Ho atom at the Cartesian coordinate [3.285 8.911 4.82 ] to the cif file. | data_image0
_chemical_formula_structural Er2Fe6Co6P7
_chemical_formula_sum "Er2 Fe6 Co6 P7"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Er2Fe6Co6P7Ho
_chemical_formula_sum "Er2 Fe6 Co6 P7 Ho1"
_cell_length_a 3.607307
_cell_length_b 8.982424
_cell_length_c 8.98247072
_cell_angle_alpha 59.99830538
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | bbed6629-f849-4214-9d32-9607ee6b2d30 | mp-698063 | Add one S atom at the Cartesian coordinate [17.946 0.841 1.626] to the cif file. | data_image0
_chemical_formula_structural Na8P8H8O28
_chemical_formula_sum "Na8 P8 H8 O28"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_space... | data_image0
_chemical_formula_structural Na8P8H8O28S
_chemical_formula_sum "Na8 P8 H8 O28 S1"
_cell_length_a 15.21915904
_cell_length_b 14.31962318
_cell_length_c 7.11453153
_cell_angle_alpha 83.22265891
_cell_angle_beta 69.11852698
_cell_angle_gamma 27.658814109999998
_s... |
AddAtomAction | d2622e27-fb43-4e2d-a43f-8841c60e7684 | mp-1245147 | Add one Ts atom at the Cartesian coordinate [7.387 0.808 4.93 ] to the cif file. | data_image0
_chemical_formula_structural Cr16Fe16O48
_chemical_formula_sum "Cr16 Fe16 O48"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856701099... | data_image0
_chemical_formula_structural Cr16Fe16O48Ts
_chemical_formula_sum "Cr16 Fe16 O48 Ts1"
_cell_length_a 10.0212608
_cell_length_b 10.93656827
_cell_length_c 9.347078629999999
_cell_angle_alpha 91.27039423999999
_cell_angle_beta 93.00455529
_cell_angle_gamma 89.3856... |
AddAtomAction | b435ac19-c142-4911-a624-1925fd888306 | mp-1192677 | Add one Y atom at the Cartesian coordinate [0.618 8.671 0.688] to the cif file. | data_image0
_chemical_formula_structural Cs4Pr6OsI13
_chemical_formula_sum "Cs4 Pr6 Os1 I13"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.734935... | data_image0
_chemical_formula_structural Cs4Pr6OsI13Y
_chemical_formula_sum "Cs4 Pr6 Os1 I13 Y1"
_cell_length_a 10.15150394
_cell_length_b 10.151503939999998
_cell_length_c 12.56262411
_cell_angle_alpha 68.93186197999998
_cell_angle_beta 68.93186198
_cell_angle_gamma 87.73... |
AddAtomAction | 30e38a63-51bb-406f-be69-9f3b05eabf96 | mp-2230889 | Add one Fm atom at the Cartesian coordinate [-0.084 5.524 2.578] to the cif file. | data_image0
_chemical_formula_structural MgV5FeO12
_chemical_formula_sum "Mg1 V5 Fe1 O12"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_space_... | data_image0
_chemical_formula_structural MgV5FeO12Fm
_chemical_formula_sum "Mg1 V5 Fe1 O12 Fm1"
_cell_length_a 6.96162261
_cell_length_b 6.89094991
_cell_length_c 5.77592574
_cell_angle_alpha 72.17851103
_cell_angle_beta 106.06423236
_cell_angle_gamma 100.70594602000001
_... |
AddAtomAction | 46294a0f-5795-45a7-ac9a-d1a86535d551 | mp-1034441 | Add one Tl atom at the Cartesian coordinate [1.574 1.083 0.871] to the cif file. | data_image0
_chemical_formula_structural Mg14CrSnO16
_chemical_formula_sum "Mg14 Cr1 Sn1 O16"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_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 Mg14CrSnO16Tl
_chemical_formula_sum "Mg14 Cr1 Sn1 O16 Tl1"
_cell_length_a 8.7697254
_cell_length_b 8.66107133
_cell_length_c 4.36215442
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | ffe5ec74-b32b-4944-8d30-56c607e990fd | mp-1104301 | Add one Rh atom at the Cartesian coordinate [8.251 7.812 5.52 ] to the cif file. | data_image0
_chemical_formula_structural K3Pb2Cl8
_chemical_formula_sum "K3 Pb2 Cl8"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_space_gro... | data_image0
_chemical_formula_structural K3Pb2Cl8Rh
_chemical_formula_sum "K3 Pb2 Cl8 Rh1"
_cell_length_a 8.690223
_cell_length_b 8.99889746
_cell_length_c 9.01920649
_cell_angle_alpha 61.515895809999996
_cell_angle_beta 61.3617369
_cell_angle_gamma 61.98674132000001
_spa... |
AddAtomAction | ed019081-4f59-41be-abf4-9cd8c54e7a76 | mp-1176375 | Add one Lv atom at the Cartesian coordinate [-0.308 0.869 7.224] to the cif file. | data_image0
_chemical_formula_structural Na6Ni4P4C4O28
_chemical_formula_sum "Na6 Ni4 P4 C4 O28"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 102.983... | data_image0
_chemical_formula_structural Na6Ni4P4C4O28Lv
_chemical_formula_sum "Na6 Ni4 P4 C4 O28 Lv1"
_cell_length_a 8.310674
_cell_length_b 8.318246190000002
_cell_length_c 10.22145403
_cell_angle_alpha 107.61280397
_cell_angle_beta 107.54584119999998
_cell_angle_gamma 1... |
AddAtomAction | ce32dd47-47ff-4fe0-ad3f-7bb4cdd8466b | mp-642735 | Add one Tb atom at the Cartesian coordinate [3.255 0.431 3.635] to the cif file. | data_image0
_chemical_formula_structural Rb4H8Pt2
_chemical_formula_sum "Rb4 H8 Pt2"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 Rb4H8Pt2Tb
_chemical_formula_sum "Rb4 H8 Pt2 Tb1"
_cell_length_a 5.8618533
_cell_length_b 5.8618533
_cell_length_c 8.40442138
_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 | 06678bff-e597-4731-ac03-782ff501b20d | mp-31180 | Add one Os atom at the Cartesian coordinate [-1.177 5.358 5.47 ] to the cif file. | data_image0
_chemical_formula_structural Dy2Al8Ni2
_chemical_formula_sum "Dy2 Al8 Ni2"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Dy2Al8Ni2Os
_chemical_formula_sum "Dy2 Al8 Ni2 Os1"
_cell_length_a 4.04611252
_cell_length_b 6.54957622
_cell_length_c 7.92753761
_cell_angle_alpha 90.0
_cell_angle_beta 104.78503715
_cell_angle_gamma 90.0
_space_group_name_H-M_alt... |
AddAtomAction | 263efb13-e45c-45c4-8dca-a11cc9bccf6d | mp-1406703 | Add one Mg atom at the Cartesian coordinate [2.283 2.732 2.926] to the cif file. | data_image0
_chemical_formula_structural Li8Co2O6F2
_chemical_formula_sum "Li8 Co2 O6 F2"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_space_g... | data_image0
_chemical_formula_structural Li8Co2O6F2Mg
_chemical_formula_sum "Li8 Co2 O6 F2 Mg1"
_cell_length_a 5.225015
_cell_length_b 5.34709061
_cell_length_c 7.7588422800000005
_cell_angle_alpha 109.9820153
_cell_angle_beta 82.91234078
_cell_angle_gamma 113.64964108
_s... |
AddAtomAction | d4f7b3ba-ad7a-43f9-a0fe-a68ad7c7feb1 | mp-849398 | Add one Es atom at the Cartesian coordinate [ 1.056 11.677 12.095] to the cif file. | data_image0
_chemical_formula_structural Li20Mn8P12O48
_chemical_formula_sum "Li20 Mn8 P12 O48"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_... | data_image0
_chemical_formula_structural Li20Mn8P12O48Es
_chemical_formula_sum "Li20 Mn8 P12 O48 Es1"
_cell_length_a 8.88905
_cell_length_b 8.731993
_cell_length_c 15.194232
_cell_angle_alpha 55.958151120000004
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | d718aedc-a483-432f-bbb8-779c86a1611e | mp-1046244 | Add one W atom at the Cartesian coordinate [-0.854 4.212 6.612] to the cif file. | data_image0
_chemical_formula_structural Sr2Bi2P4O16
_chemical_formula_sum "Sr2 Bi2 P4 O16"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_space_g... | data_image0
_chemical_formula_structural Sr2Bi2P4O16W
_chemical_formula_sum "Sr2 Bi2 P4 O16 W1"
_cell_length_a 5.517599
_cell_length_b 7.22489438
_cell_length_c 9.74518414
_cell_angle_alpha 106.94443890999999
_cell_angle_beta 97.78745957
_cell_angle_gamma 97.70727401
_spa... |
AddAtomAction | 8ae9f576-8ec5-4a35-b5cc-31041a7007be | mp-1305999 | Add one Cn atom at the Cartesian coordinate [ 6.372 -0.91 2.769] to the cif file. | data_image0
_chemical_formula_structural Li3TiNi4O8
_chemical_formula_sum "Li3 Ti1 Ni4 O8"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999998
_... | data_image0
_chemical_formula_structural Li3TiNi4O8Cn
_chemical_formula_sum "Li3 Ti1 Ni4 O8 Cn1"
_cell_length_a 5.89780767
_cell_length_b 5.90359853
_cell_length_c 5.91950147
_cell_angle_alpha 119.91030386999999
_cell_angle_beta 59.75634118
_cell_angle_gamma 90.45492733999... |
AddAtomAction | 4874b317-8137-47fe-a2d7-d1216b82de2f | mp-1228296 | Add one No atom at the Cartesian coordinate [8.871 1.849 2.202] to the cif file. | data_image0
_chemical_formula_structural Cs10Re12S16Cl14
_chemical_formula_sum "Cs10 Re12 S16 Cl14"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamma 3... | data_image0
_chemical_formula_structural Cs10Re12S16Cl14No
_chemical_formula_sum "Cs10 Re12 S16 Cl14 No1"
_cell_length_a 19.27988906
_cell_length_b 19.27988906
_cell_length_c 19.27988893
_cell_angle_alpha 30.276571750000013
_cell_angle_beta 30.276571750000013
_cell_angle_gamm... |
AddAtomAction | 20b33a22-7105-4235-b36e-92857cf3ba2a | mp-1030404 | Add one Po atom at the Cartesian coordinate [1.907 1.091 9.818] to the cif file. | data_image0
_chemical_formula_structural Te4Mo3WSe2S2
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_space_gro... | data_image0
_chemical_formula_structural Te4Mo3WSe2S2Po
_chemical_formula_sum "Te4 Mo3 W1 Se2 S2 Po1"
_cell_length_a 3.4009808
_cell_length_b 3.4009808000000006
_cell_length_c 38.652358
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00001554000002
_spa... |
AddAtomAction | f7578f6e-64ae-441c-943e-8686ef12c56f | mp-752461 | Add one Md atom at the Cartesian coordinate [1.503 5.083 4.372] to the cif file. | data_image0
_chemical_formula_structural Mn6O5F7
_chemical_formula_sum "Mn6 O5 F7"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.78686068
_sp... | data_image0
_chemical_formula_structural Mn6O5F7Md
_chemical_formula_sum "Mn6 O5 F7 Md1"
_cell_length_a 4.794192
_cell_length_b 5.7488937899999994
_cell_length_c 7.907657610000001
_cell_angle_alpha 84.66724938999998
_cell_angle_beta 87.05711292
_cell_angle_gamma 84.7868606... |
AddAtomAction | 5b650266-84c7-4494-929a-8e7595084776 | mp-756993 | Add one Pm atom at the Cartesian coordinate [2.866 4.72 2.262] to the cif file. | data_image0
_chemical_formula_structural Li4Co2P4O14
_chemical_formula_sum "Li4 Co2 P4 O14"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
_space... | data_image0
_chemical_formula_structural Li4Co2P4O14Pm
_chemical_formula_sum "Li4 Co2 P4 O14 Pm1"
_cell_length_a 5.03760902
_cell_length_b 7.68650501
_cell_length_c 7.685553040000001
_cell_angle_alpha 90.00303369
_cell_angle_beta 89.98939698
_cell_angle_gamma 89.99431428
... |
AddAtomAction | 0bf5bfdf-3218-4f70-8e27-dc64ad44a251 | mp-1194895 | Add one Rn atom at the Cartesian coordinate [4.066 2.289 8.884] to the cif file. | data_image0
_chemical_formula_structural Th8Te12Mo4O52
_chemical_formula_sum "Th8 Te12 Mo4 O52"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Th8Te12Mo4O52Rn
_chemical_formula_sum "Th8 Te12 Mo4 O52 Rn1"
_cell_length_a 7.191032
_cell_length_b 11.50721
_cell_length_c 14.22629756
_cell_angle_alpha 89.42976733999998
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | a63ac699-c420-4bdc-8147-5968e1cd1caa | mp-1198355 | Add one Os atom at the Cartesian coordinate [14.029 8.102 5.376] to the cif file. | data_image0
_chemical_formula_structural Sr4B22O44
_chemical_formula_sum "Sr4 B22 O44"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sr4B22O44Os
_chemical_formula_sum "Sr4 B22 O44 Os1"
_cell_length_a 20.953108
_cell_length_b 6.71541
_cell_length_c 6.74694107
_cell_angle_alpha 60.48476556999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 382b366e-c53e-41b7-9191-ba5c2e9c6e57 | mp-616196 | Add one I atom at the Cartesian coordinate [2.521 1.066 5.948] to the cif file. | data_image0
_chemical_formula_structural Os2C6I4O6
_chemical_formula_sum "Os2 C6 I4 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_name... | data_image0
_chemical_formula_structural Os2C6I4O6I
_chemical_formula_sum "Os2 C6 I5 O6"
_cell_length_a 6.82384482
_cell_length_b 6.82384482
_cell_length_c 9.83623365
_cell_angle_alpha 75.91690472
_cell_angle_beta 75.91690472
_cell_angle_gamma 69.75854996
_space_group_nam... |
AddAtomAction | cb27eb03-6c9b-44e8-b0d9-fcf487cee9dc | mp-705637 | Add one U atom at the Cartesian coordinate [11.314 4.658 3.076] to the cif file. | data_image0
_chemical_formula_structural Ni16P16O64
_chemical_formula_sum "Ni16 P16 O64"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_group_... | data_image0
_chemical_formula_structural Ni16P16O64U
_chemical_formula_sum "Ni16 P16 O64 U1"
_cell_length_a 10.05901078
_cell_length_b 10.05901078
_cell_length_c 17.32806444
_cell_angle_alpha 72.16719953
_cell_angle_beta 72.16719953
_cell_angle_gamma 59.26168524
_space_gr... |
AddAtomAction | 27aa43f5-d22a-4fd9-aa0d-b22cfadf4e67 | mp-19140 | Add one Ga atom at the Cartesian coordinate [3.053 6.83 3.982] to the cif file. | data_image0
_chemical_formula_structural K12Mn4O16
_chemical_formula_sum "K12 Mn4 O16"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927899999... | data_image0
_chemical_formula_structural K12Mn4O16Ga
_chemical_formula_sum "K12 Mn4 O16 Ga1"
_cell_length_a 6.49865786
_cell_length_b 10.836143570000003
_cell_length_c 9.493722039999998
_cell_angle_alpha 67.4691507
_cell_angle_beta 89.95728003
_cell_angle_gamma 107.3793927... |
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