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 | b7e1a478-206e-4f7e-a4eb-e55d3ee4bf55 | mp-1041312 | Add one Lu atom at the Cartesian coordinate [1.629 1.487 4.961] to the cif file. | data_image0
_chemical_formula_structural BaMn4O8
_chemical_formula_sum "Ba1 Mn4 O8"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural BaMn4O8Lu
_chemical_formula_sum "Ba1 Mn4 O8 Lu1"
_cell_length_a 5.64584012
_cell_length_b 5.64584012
_cell_length_c 7.772888
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000136000001
_space_group_name_H-M_al... |
AddAtomAction | f3f0e831-6be6-4e2a-a727-1149d7b89b72 | mp-27353 | Add one Ra atom at the Cartesian coordinate [4.989 9.9 8.351] to the cif file. | data_image0
_chemical_formula_structural Sb12Cl24F36
_chemical_formula_sum "Sb12 Cl24 F36"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... | data_image0
_chemical_formula_structural Sb12Cl24F36Ra
_chemical_formula_sum "Sb12 Cl24 F36 Ra1"
_cell_length_a 10.822464
_cell_length_b 11.93148
_cell_length_c 17.59915189
_cell_angle_alpha 51.34062544
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_al... |
AddAtomAction | 38275623-29d5-4d0c-a4df-19db41c4ace0 | mp-1028643 | Add one Si atom at the Cartesian coordinate [-0.007 2.617 4.514] to the cif file. | data_image0
_chemical_formula_structural Te6Mo2W2S2
_chemical_formula_sum "Te6 Mo2 W2 S2"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_name_H-M... | data_image0
_chemical_formula_structural Te6Mo2W2S2Si
_chemical_formula_sum "Te6 Mo2 W2 S2 Si1"
_cell_length_a 3.45920571
_cell_length_b 3.45920571
_cell_length_c 37.26117417
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000709999999
_space_group_na... |
AddAtomAction | a2523854-1090-4a6f-8457-f9880f49dc3d | mp-759873 | Add one Ds atom at the Cartesian coordinate [ 0.662 9.482 13.272] to the cif file. | data_image0
_chemical_formula_structural Sb16O22F4
_chemical_formula_sum "Sb16 O22 F4"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Sb16O22F4Ds
_chemical_formula_sum "Sb16 O22 F4 Ds1"
_cell_length_a 4.244161
_cell_length_b 10.515138
_cell_length_c 18.170208560000003
_cell_angle_alpha 88.98562154
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | fb520ee0-148b-4699-a480-0ce370d8940a | mp-734012 | Add one Bh atom at the Cartesian coordinate [6.688 8.535 7.234] to the cif file. | data_image0
_chemical_formula_structural K8Lu4Si16O44
_chemical_formula_sum "K8 Lu4 Si16 O44"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural K8Lu4Si16O44Bh
_chemical_formula_sum "K8 Lu4 Si16 O44 Bh1"
_cell_length_a 8.625046
_cell_length_b 11.685121
_cell_length_c 11.83010728
_cell_angle_alpha 68.01074026
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M... |
AddAtomAction | 66f1757f-6ac7-4f28-8941-57ec61473718 | mp-2217543 | Add one Xe atom at the Cartesian coordinate [4.189 2.06 3.342] to the cif file. | data_image0
_chemical_formula_structural MgCoP2O7
_chemical_formula_sum "Mg1 Co1 P2 O7"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962
_spa... | data_image0
_chemical_formula_structural MgCoP2O7Xe
_chemical_formula_sum "Mg1 Co1 P2 O7 Xe1"
_cell_length_a 4.55394319
_cell_length_b 5.319260319999999
_cell_length_c 5.33297237
_cell_angle_alpha 76.00181915
_cell_angle_beta 81.73553143000001
_cell_angle_gamma 98.37781962... |
AddAtomAction | 1870803e-747e-405b-86f9-54e600e12b81 | mp-733763 | Add one Ce atom at the Cartesian coordinate [9.837 4.761 6.535] to the cif file. | data_image0
_chemical_formula_structural Cr4Hg4H4O18
_chemical_formula_sum "Cr4 Hg4 H4 O18"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
_spac... | data_image0
_chemical_formula_structural Cr4Hg4H4O18Ce
_chemical_formula_sum "Cr4 Hg4 H4 O18 Ce1"
_cell_length_a 6.59140315
_cell_length_b 6.59140315
_cell_length_c 13.51529886
_cell_angle_alpha 72.78458591
_cell_angle_beta 72.78458591
_cell_angle_gamma 47.698904199999994
... |
AddAtomAction | f278b6c4-38bd-4323-814a-5fe9e3e6875f | mp-754713 | Add one Cf atom at the Cartesian coordinate [1.422 9.861 9.41 ] to the cif file. | data_image0
_chemical_formula_structural Al8Cr4O20
_chemical_formula_sum "Al8 Cr4 O20"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265400000... | data_image0
_chemical_formula_structural Al8Cr4O20Cf
_chemical_formula_sum "Al8 Cr4 O20 Cf1"
_cell_length_a 5.05828776
_cell_length_b 7.185476969999999
_cell_length_c 10.24938235
_cell_angle_alpha 74.62419369000001
_cell_angle_beta 82.79878355
_cell_angle_gamma 110.2480265... |
AddAtomAction | e5c83a59-5d4e-4073-afdb-bdbf62b49df9 | mp-1102140 | Add one U atom at the Cartesian coordinate [5.341 4.965 5.219] to the cif file. | data_image0
_chemical_formula_structural Nd4Si4Ir4
_chemical_formula_sum "Nd4 Si4 Ir4"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_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 Nd4Si4Ir4U
_chemical_formula_sum "Nd4 Si4 Ir4 U1"
_cell_length_a 6.33666694
_cell_length_b 6.33666694
_cell_length_c 6.33666694
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 6089b489-82e3-4cfa-a176-10ebd3360b24 | mp-667336 | Add one P atom at the Cartesian coordinate [ 9.493 15.264 11.341] to the cif file. | data_image0
_chemical_formula_structural Cs16Zr12Te64
_chemical_formula_sum "Cs16 Zr12 Te64"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Cs16Zr12Te64P
_chemical_formula_sum "Cs16 Zr12 Te64 P1"
_cell_length_a 19.784849
_cell_length_b 12.217208
_cell_length_c 17.97604476
_cell_angle_alpha 60.070154949999996
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_nam... |
AddAtomAction | 3ea46ac1-be06-4a82-a9b1-bd894e81cfbc | mp-685281 | Add one Cr atom at the Cartesian coordinate [1.84 2.924 3.947] to the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6Cr
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Cr1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
AddAtomAction | ab6a8d6c-316f-4ffb-8e25-bda11ba146a4 | mp-558102 | Add one Bh atom at the Cartesian coordinate [2.137 0.869 3.395] to the cif file. | data_image0
_chemical_formula_structural K2Li2Si4O10
_chemical_formula_sum "K2 Li2 Si4 O10"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural K2Li2Si4O10Bh
_chemical_formula_sum "K2 Li2 Si4 O10 Bh1"
_cell_length_a 4.874509
_cell_length_b 6.0847
_cell_length_c 8.30369295
_cell_angle_alpha 86.56193316
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 24c50eb6-085e-4827-8414-5c491d51f057 | mp-1204112 | Add one Fr atom at the Cartesian coordinate [8.934 3.699 1.841] to the cif file. | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_g... | data_image0
_chemical_formula_structural Sn2H8S12N12Cl12Fr
_chemical_formula_sum "Sn2 H8 S12 N12 Cl12 Fr1"
_cell_length_a 13.290174
_cell_length_b 7.36416
_cell_length_c 11.930420559999998
_cell_angle_alpha 57.87495880999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_s... |
AddAtomAction | dd8807ca-8d45-4461-8fff-2b413384d12c | mp-1516711 | Add one Rf atom at the Cartesian coordinate [7.161 7.272 6.129] to the cif file. | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24
_chemical_formula_sum "Sr8 Sm4 Nb4 O24"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Sr8Sm4Nb4O24Rf
_chemical_formula_sum "Sr8 Sm4 Nb4 O24 Rf1"
_cell_length_a 8.46943657
_cell_length_b 8.46943657
_cell_length_c 8.46943657
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | fd56d6a4-a0d1-4493-bbe1-6374c95d5614 | mp-1224199 | Add one V atom at the Cartesian coordinate [0.312 6.938 2.185] to the cif file. | data_image0
_chemical_formula_structural Ho12Co9
_chemical_formula_sum "Ho12 Co9"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group_nam... | data_image0
_chemical_formula_structural Ho12Co9V
_chemical_formula_sum "Ho12 Co9 V1"
_cell_length_a 4.04348636
_cell_length_b 11.13594434
_cell_length_c 11.13575248
_cell_angle_alpha 60.0033272
_cell_angle_beta 90.00003881
_cell_angle_gamma 90.00060509000001
_space_group... |
AddAtomAction | 5abcdb6a-920e-4040-80fa-69bb1bdad9e7 | mp-1173638 | Add one Lr atom at the Cartesian coordinate [1.734 7.251 1.607] to the cif file. | data_image0
_chemical_formula_structural Sr10CuRu4O20
_chemical_formula_sum "Sr10 Cu1 Ru4 O20"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma 87... | data_image0
_chemical_formula_structural Sr10CuRu4O20Lr
_chemical_formula_sum "Sr10 Cu1 Ru4 O20 Lr1"
_cell_length_a 8.88667462
_cell_length_b 8.886674619999999
_cell_length_c 8.88667462
_cell_angle_alpha 121.33064908000001
_cell_angle_beta 121.33064908000001
_cell_angle_gamma... |
AddAtomAction | 833d873c-e6c0-4eca-93f7-6179a0b3e521 | mp-642822 | Add one Co atom at the Cartesian coordinate [1.848 3.079 3.458] to the cif file. | data_image0
_chemical_formula_structural Ca4C8
_chemical_formula_sum "Ca4 C8"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_group_n... | data_image0
_chemical_formula_structural Ca4C8Co
_chemical_formula_sum "Ca4 C8 Co1"
_cell_length_a 6.69598787
_cell_length_b 7.744066819999999
_cell_length_c 4.05699111
_cell_angle_alpha 79.01721744
_cell_angle_beta 88.07361974999999
_cell_angle_gamma 70.84437664
_space_g... |
AddAtomAction | 223c1c8d-5144-47c8-916b-08df4acb8741 | mp-1218836 | Add one V atom at the Cartesian coordinate [17.467 0.838 3.659] to the cif file. | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 14.38... | data_image0
_chemical_formula_structural Sr2Eu2TlNi2O9V
_chemical_formula_sum "Sr2 Eu2 Tl1 Ni2 O9 V1"
_cell_length_a 15.24082335
_cell_length_b 15.235985369999998
_cell_length_c 3.81686703
_cell_angle_alpha 82.87753408
_cell_angle_beta 82.73342978000001
_cell_angle_gamma 1... |
AddAtomAction | 47928f43-24e5-4616-8ea7-655f02774bf0 | mp-1111253 | Add one Ar atom at the Cartesian coordinate [9.754 5.373 2.032] to the cif file. | data_image0
_chemical_formula_structural Na2AlHgF6
_chemical_formula_sum "Na2 Al1 Hg1 F6"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999999999... | data_image0
_chemical_formula_structural Na2AlHgF6Ar
_chemical_formula_sum "Na2 Al1 Hg1 F6 Ar1"
_cell_length_a 6.106478
_cell_length_b 6.106478000000001
_cell_length_c 6.106478
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.999999999999986
_cell_angle_gamma 59.999... |
AddAtomAction | 03ac5a85-1734-463c-b107-62c31d5bc516 | mp-1079634 | Add one Gd atom at the Cartesian coordinate [1.933 5.267 1.017] to the cif file. | data_image0
_chemical_formula_structural Tb4Sn2Au4
_chemical_formula_sum "Tb4 Sn2 Au4"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Tb4Sn2Au4Gd
_chemical_formula_sum "Tb4 Sn2 Au4 Gd1"
_cell_length_a 7.91659809
_cell_length_b 7.916598089999999
_cell_length_c 3.75257681
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 89.9980375
_space_group_name_H-... |
AddAtomAction | 4deb2c84-d7c0-421b-83b1-e2dbfdb644e4 | mp-1035975 | Add one C atom at the Cartesian coordinate [3.193 2.212 3.47 ] to the cif file. | data_image0
_chemical_formula_structural YMg14SnO16
_chemical_formula_sum "Y1 Mg14 Sn1 O16"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_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 YMg14SnO16C
_chemical_formula_sum "Y1 Mg14 Sn1 O16 C1"
_cell_length_a 8.842513
_cell_length_b 8.842513
_cell_length_c 4.451059
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 86d378e8-6d92-4f53-945b-656386a0e98a | mp-2215839 | Add one Rb atom at the Cartesian coordinate [0.799 1.477 2.407] to the cif file. | data_image0
_chemical_formula_structural Sr2MgZrCrO6
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133378999... | data_image0
_chemical_formula_structural Sr2MgZrCrO6Rb
_chemical_formula_sum "Sr2 Mg1 Zr1 Cr1 O6 Rb1"
_cell_length_a 6.85052586
_cell_length_b 5.67316694
_cell_length_c 5.44648374
_cell_angle_alpha 90.22336113
_cell_angle_beta 118.44826585999999
_cell_angle_gamma 114.57133... |
AddAtomAction | 8e289060-9b4f-426e-969e-5a4936732a0f | mp-1213803 | Add one Be atom at the Cartesian coordinate [5.359 2.009 8.827] to the cif file. | data_image0
_chemical_formula_structural Co2H12Br4
_chemical_formula_sum "Co2 H12 Br4"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Co2H12Br4Be
_chemical_formula_sum "Co2 H12 Br4 Be1"
_cell_length_a 7.34591159
_cell_length_b 4.967486
_cell_length_c 8.88894512
_cell_angle_alpha 90.0
_cell_angle_beta 96.30320412
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 99bdd360-a936-46d8-88bd-a29363ba9955 | mp-1019801 | Add one At atom at the Cartesian coordinate [6.2 0.667 1.226] to the cif file. | data_image0
_chemical_formula_structural K8PO3
_chemical_formula_sum "K8 P1 O3"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_IT_n... | data_image0
_chemical_formula_structural K8PO3At
_chemical_formula_sum "K8 P1 O3 At1"
_cell_length_a 6.855021
_cell_length_b 6.855021
_cell_length_c 6.855021
_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... |
AddAtomAction | b764e3b3-1a52-43d3-b496-be55caea3696 | mp-1112234 | Add one Tc atom at the Cartesian coordinate [7.237 5.925 2.242] to the cif file. | data_image0
_chemical_formula_structural K2GaHgF6
_chemical_formula_sum "K2 Ga1 Hg1 F6"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999999... | data_image0
_chemical_formula_structural K2GaHgF6Tc
_chemical_formula_sum "K2 Ga1 Hg1 F6 Tc1"
_cell_length_a 6.30962129
_cell_length_b 6.30962129
_cell_length_c 6.30962129
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... |
AddAtomAction | b9664c1b-aae2-438c-a3bd-77680a44b265 | mp-862605 | Add one U atom at the Cartesian coordinate [2.016 1.544 3.073] to the cif file. | data_image0
_chemical_formula_structural Rb4Zr6CCl18
_chemical_formula_sum "Rb4 Zr6 C1 Cl18"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_space_g... | data_image0
_chemical_formula_structural Rb4Zr6CCl18U
_chemical_formula_sum "Rb4 Zr6 C1 Cl18 U1"
_cell_length_a 10.33285124
_cell_length_b 10.33285124
_cell_length_c 10.01703386
_cell_angle_alpha 77.27577493
_cell_angle_beta 77.27577493
_cell_angle_gamma 117.51322988
_spa... |
AddAtomAction | 2e290a4a-8ece-4876-8859-ea87efef7f7c | mp-779472 | Add one Pm atom at the Cartesian coordinate [2.695 0.242 6.814] to the cif file. | data_image0
_chemical_formula_structural Li10Cu2P4O16
_chemical_formula_sum "Li10 Cu2 P4 O16"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_space_... | data_image0
_chemical_formula_structural Li10Cu2P4O16Pm
_chemical_formula_sum "Li10 Cu2 P4 O16 Pm1"
_cell_length_a 5.33075
_cell_length_b 6.21188206
_cell_length_c 9.952614719999998
_cell_angle_alpha 90.05458698
_cell_angle_beta 90.09321507
_cell_angle_gamma 90.11288745
_... |
AddAtomAction | 97bf7aa5-e622-4a11-b2d8-356dc5724b5b | mp-1209474 | Add one Gd atom at the Cartesian coordinate [1.974 0.934 6.145] to the cif file. | data_image0
_chemical_formula_structural Sm4Ni4Pb4
_chemical_formula_sum "Sm4 Ni4 Pb4"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space_group... | data_image0
_chemical_formula_structural Sm4Ni4Pb4Gd
_chemical_formula_sum "Sm4 Ni4 Pb4 Gd1"
_cell_length_a 4.58978341
_cell_length_b 7.33181523
_cell_length_c 7.87051051
_cell_angle_alpha 90.00819843
_cell_angle_beta 90.04042330000001
_cell_angle_gamma 89.97303752
_space... |
AddAtomAction | 09ce8c7a-0fe1-46be-ba7a-24e1468d65ef | mp-1220416 | Add one Fr atom at the Cartesian coordinate [3.881 2.554 4.026] to the cif file. | data_image0
_chemical_formula_structural Nb2Fe2O8
_chemical_formula_sum "Nb2 Fe2 O8"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Nb2Fe2O8Fr
_chemical_formula_sum "Nb2 Fe2 O8 Fr1"
_cell_length_a 4.732602
_cell_length_b 5.045943
_cell_length_c 5.717672
_cell_angle_alpha 89.99997862
_cell_angle_beta 89.99997787
_cell_angle_gamma 90.00033981
_space_group_name_H-... |
AddAtomAction | 2739c182-cede-4443-8a72-b8b077d2b1c1 | mp-1210838 | Add one Hs atom at the Cartesian coordinate [1.175 2.048 1.605] to the cif file. | data_image0
_chemical_formula_structural Mg2P2H12N2O10
_chemical_formula_sum "Mg2 P2 H12 N2 O10"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"... | data_image0
_chemical_formula_structural Mg2P2H12N2O10Hs
_chemical_formula_sum "Mg2 P2 H12 N2 O10 Hs1"
_cell_length_a 5.398913
_cell_length_b 7.180609
_cell_length_c 10.282645
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 7f9092a8-4d5e-47d1-b11a-3e1ba27aa40f | mp-21717 | Add one In atom at the Cartesian coordinate [0.693 1.956 1.749] to the cif file. | data_image0
_chemical_formula_structural Fe28C12
_chemical_formula_sum "Fe28 C12"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_group_I... | data_image0
_chemical_formula_structural Fe28C12In
_chemical_formula_sum "Fe28 C12 In1"
_cell_length_a 4.517344
_cell_length_b 6.857112
_cell_length_c 11.762107
_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 | dbee3005-531e-42f2-8d89-f67cfe41ee2d | mp-8081 | Add one Sn atom at the Cartesian coordinate [3.147 0.294 7.648] 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 Na4Sn2F12Sn
_chemical_formula_sum "Na4 Sn3 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"
_... |
AddAtomAction | 5f41b87c-12af-465c-a31f-b2abba39f48e | mp-800259 | Add one K atom at the Cartesian coordinate [ 0.292 -1.191 2.368] to the cif file. | data_image0
_chemical_formula_structural Li5Cr3FeO8
_chemical_formula_sum "Li5 Cr3 Fe1 O8"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.8688950300000... | data_image0
_chemical_formula_structural Li5Cr3FeO8K
_chemical_formula_sum "Li5 Cr3 Fe1 O8 K1"
_cell_length_a 5.994255
_cell_length_b 5.9972526
_cell_length_c 6.05051969
_cell_angle_alpha 119.50204335000001
_cell_angle_beta 90.27845360999999
_cell_angle_gamma 119.868895030... |
AddAtomAction | a0b56dd6-eb2a-44a3-b87b-8a614ecb0dc8 | mp-1194481 | Add one Al atom at the Cartesian coordinate [ 0.176 7.426 13.363] to the cif file. | data_image0
_chemical_formula_structural Sr6Sn6Au16
_chemical_formula_sum "Sr6 Sn6 Au16"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_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 Sr6Sn6Au16Al
_chemical_formula_sum "Sr6 Sn6 Au16 Al1"
_cell_length_a 4.805574
_cell_length_b 9.803317
_cell_length_c 14.269834
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | a5a6c15b-a79c-4bba-bfb0-7032b5757de3 | mp-1209658 | Add one Yb atom at the Cartesian coordinate [3.706 0.748 4.421] to the cif file. | data_image0
_chemical_formula_structural Pr10C12Br6
_chemical_formula_sum "Pr10 C12 Br6"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_space_g... | data_image0
_chemical_formula_structural Pr10C12Br6Yb
_chemical_formula_sum "Pr10 C12 Br6 Yb1"
_cell_length_a 3.93498562
_cell_length_b 11.631626369999998
_cell_length_c 14.0197456
_cell_angle_alpha 79.80498043
_cell_angle_beta 81.94104415
_cell_angle_gamma 80.37070865
_s... |
AddAtomAction | d706f277-6054-4c27-af22-c74d583c0207 | mp-28763 | Add one Rn atom at the Cartesian coordinate [4.27 6.549 4.316] to the cif file. | data_image0
_chemical_formula_structural Ca16As16Pd16
_chemical_formula_sum "Ca16 As16 Pd16"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ca16As16Pd16Rn
_chemical_formula_sum "Ca16 As16 Pd16 Rn1"
_cell_length_a 7.16018011
_cell_length_b 8.67165053
_cell_length_c 16.69388756
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 65520dcd-00e9-4a4d-8a45-83de9686e499 | mp-1032803 | Add one Cu atom at the Cartesian coordinate [6.932 0.996 2.223] to the cif file. | data_image0
_chemical_formula_structural Mg6MnZnO8
_chemical_formula_sum "Mg6 Mn1 Zn1 O8"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_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 Mg6MnZnO8Cu
_chemical_formula_sum "Mg6 Mn1 Zn1 O8 Cu1"
_cell_length_a 8.60024287
_cell_length_b 4.31000015
_cell_length_c 4.31000015
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "... |
AddAtomAction | de0c85b3-0fab-4f3d-b746-1f1da7fef1b1 | mp-1017477 | Add one At atom at the Cartesian coordinate [3.622 4.036 1.413] to the cif file. | data_image0
_chemical_formula_structural La2Mg12W2
_chemical_formula_sum "La2 Mg12 W2"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 La2Mg12W2At
_chemical_formula_sum "La2 Mg12 W2 At1"
_cell_length_a 5.020477
_cell_length_b 6.432658
_cell_length_c 11.360022
_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 | 55ffec72-cf1d-44c1-9091-5e81d0996aad | mp-2218799 | Add one Og atom at the Cartesian coordinate [5.784 2.682 4.443] to the cif file. | data_image0
_chemical_formula_structural NaMgFeSe2O8
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space_group... | data_image0
_chemical_formula_structural NaMgFeSe2O8Og
_chemical_formula_sum "Na1 Mg1 Fe1 Se2 O8 Og1"
_cell_length_a 5.27080621
_cell_length_b 5.3473582
_cell_length_c 7.01823502
_cell_angle_alpha 88.14316109
_cell_angle_beta 92.70554027
_cell_angle_gamma 67.853843
_space... |
AddAtomAction | 72a98bfd-e95b-4030-9caf-af70c3a90356 | mp-685281 | Add one Am atom at the Cartesian coordinate [2.778 3.226 1.583] to the cif file. | data_image0
_chemical_formula_structural TiZnH12O6F6
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.56395338
_sp... | data_image0
_chemical_formula_structural TiZnH12O6F6Am
_chemical_formula_sum "Ti1 Zn1 H12 O6 F6 Am1"
_cell_length_a 6.52220492
_cell_length_b 6.52220492
_cell_length_c 6.522205700000001
_cell_angle_alpha 95.56394999
_cell_angle_beta 95.56394999
_cell_angle_gamma 95.5639533... |
AddAtomAction | b8de88b6-a735-480e-8198-aa282090a75a | mp-1228545 | Add one Ti atom at the Cartesian coordinate [16.943 3.917 1.354] to the cif file. | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090000005... | data_image0
_chemical_formula_structural Ba2Sr2Y2Cu6O13Ti
_chemical_formula_sum "Ba2 Sr2 Y2 Cu6 O13 Ti1"
_cell_length_a 12.40091246
_cell_length_b 12.37274741
_cell_length_c 5.46917834
_cell_angle_alpha 77.5339258
_cell_angle_beta 76.95836211
_cell_angle_gamma 25.507712090... |
AddAtomAction | 8216bc49-b8d1-45ee-97a8-2f453dcae35e | mp-1518745 | Add one Cl atom at the Cartesian coordinate [2.166 1.372 1.418] to the cif file. | data_image0
_chemical_formula_structural SrEuFeBiO6
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999... | data_image0
_chemical_formula_structural SrEuFeBiO6Cl
_chemical_formula_sum "Sr1 Eu1 Fe1 Bi1 O6 Cl1"
_cell_length_a 5.82557674
_cell_length_b 5.82557674
_cell_length_c 5.82557674
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99... |
AddAtomAction | cec2dd3a-ec59-47ba-8b61-02c36708fa6a | mp-1179984 | Add one Te atom at the Cartesian coordinate [ 6.012 -0.21 7.985] to the cif file. | data_image0
_chemical_formula_structural Pt4Br12N8
_chemical_formula_sum "Pt4 Br12 N8"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001
_spa... | data_image0
_chemical_formula_structural Pt4Br12N8Te
_chemical_formula_sum "Pt4 Br12 N8 Te1"
_cell_length_a 9.81559763
_cell_length_b 9.13628541
_cell_length_c 10.39186268
_cell_angle_alpha 80.59246681
_cell_angle_beta 54.876923160000004
_cell_angle_gamma 67.77205296000001... |
AddAtomAction | 6e27b4b7-fe59-49f4-b84d-65ccee78641f | mp-1104537 | Add one Ds atom at the Cartesian coordinate [3.615 1.971 5.739] to the cif file. | data_image0
_chemical_formula_structural NdAl8Cr4
_chemical_formula_sum "Nd1 Al8 Cr4"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_name_H-M... | data_image0
_chemical_formula_structural NdAl8Cr4Ds
_chemical_formula_sum "Nd1 Al8 Cr4 Ds1"
_cell_length_a 5.060121
_cell_length_b 6.84892539
_cell_length_c 6.84892539
_cell_angle_alpha 82.15673342
_cell_angle_beta 68.32076968
_cell_angle_gamma 68.32076968
_space_group_na... |
AddAtomAction | b02490d2-c707-467d-9e71-760a20525585 | mp-1026412 | Add one Cu atom at the Cartesian coordinate [ 2.87 3.456 10.086] to the cif file. | data_image0
_chemical_formula_structural BaMg14Sn
_chemical_formula_sum "Ba1 Mg14 Sn1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_H-M_al... | data_image0
_chemical_formula_structural BaMg14SnCu
_chemical_formula_sum "Ba1 Mg14 Sn1 Cu1"
_cell_length_a 6.57999714
_cell_length_b 6.57999657
_cell_length_c 10.76078634
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 120.00000286999999
_space_group_name_... |
AddAtomAction | 59e443e0-7acc-4da5-b564-a81c67e2c3f9 | mp-545404 | Add one Fe atom at the Cartesian coordinate [ 2.756 -1.931 2.084] to the cif file. | data_image0
_chemical_formula_structural SrGd2Al2O7
_chemical_formula_sum "Sr1 Gd2 Al2 O7"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.86077711999998
_sp... | data_image0
_chemical_formula_structural SrGd2Al2O7Fe
_chemical_formula_sum "Sr1 Gd2 Al2 O7 Fe1"
_cell_length_a 10.27591848
_cell_length_b 10.27591848
_cell_length_c 10.27591848
_cell_angle_alpha 159.00615157
_cell_angle_beta 159.00615157
_cell_angle_gamma 29.8607771199999... |
AddAtomAction | 0ac6c65c-0306-44a5-b1b2-1d2567b9a6de | mp-1214455 | Add one Rh atom at the Cartesian coordinate [12.435 4.137 6.456] to the cif file. | data_image0
_chemical_formula_structural Ba4Fe8Si8O28
_chemical_formula_sum "Ba4 Fe8 Si8 O28"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_na... | data_image0
_chemical_formula_structural Ba4Fe8Si8O28Rh
_chemical_formula_sum "Ba4 Fe8 Si8 O28 Rh1"
_cell_length_a 14.016061
_cell_length_b 7.209923
_cell_length_c 7.607207749999999
_cell_angle_alpha 61.73702037999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_gr... |
AddAtomAction | 58e6d251-cb83-4b56-bb7d-8b22ba723d66 | mp-1043054 | Add one Cs atom at the Cartesian coordinate [3.565 6.22 9.402] to the cif file. | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ti4Zn4Ni4P8O36Cs
_chemical_formula_sum "Ti4 Zn4 Ni4 P8 O36 Cs1"
_cell_length_a 6.272034
_cell_length_b 7.343253
_cell_length_c 14.359966
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | dfe18932-b6fe-43c4-8e1d-8001504401b0 | mp-1223532 | Add one Te atom at the Cartesian coordinate [3.395 3.624 2.054] to the cif file. | data_image0
_chemical_formula_structural K2La2C2O8
_chemical_formula_sum "K2 La2 C2 O8"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 K2La2C2O8Te
_chemical_formula_sum "K2 La2 C2 O8 Te1"
_cell_length_a 3.686097
_cell_length_b 4.760619
_cell_length_c 12.196384
_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 | 181536c3-79c8-436f-b7a8-dbdee2ade320 | mp-759887 | Add one Sm atom at the Cartesian coordinate [14.055 5.421 4.3 ] to the cif file. | data_image0
_chemical_formula_structural Sr18Ni14O42
_chemical_formula_sum "Sr18 Ni14 O42"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_gamma ... | data_image0
_chemical_formula_structural Sr18Ni14O42Sm
_chemical_formula_sum "Sr18 Ni14 O42 Sm1"
_cell_length_a 13.23519218
_cell_length_b 13.235192179999999
_cell_length_c 13.235192049999998
_cell_angle_alpha 42.20770340999998
_cell_angle_beta 42.207703409999986
_cell_angle_... |
AddAtomAction | da0f45eb-3aea-421d-a6e4-d9ff697a3527 | mp-626121 | Add one Co atom at the Cartesian coordinate [1.349 0.58 4.288] to the cif file. | data_image0
_chemical_formula_structural V3H5O8
_chemical_formula_sum "V3 H5 O8"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name_H-M_a... | data_image0
_chemical_formula_structural V3H5O8Co
_chemical_formula_sum "V3 H5 O8 Co1"
_cell_length_a 10.1393081
_cell_length_b 10.15314353
_cell_length_c 4.9295866
_cell_angle_alpha 77.34854725
_cell_angle_beta 102.7674122
_cell_angle_gamma 162.59563102
_space_group_name... |
AddAtomAction | fb4ee7e1-1394-489d-8b0a-21fe942514ad | mp-765641 | Add one B atom at the Cartesian coordinate [ 1.953 2.174 18.304] to the cif file. | data_image0
_chemical_formula_structural Li8Fe8P8O32
_chemical_formula_sum "Li8 Fe8 P8 O32"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li8Fe8P8O32B
_chemical_formula_sum "Li8 Fe8 P8 O32 B1"
_cell_length_a 4.935367
_cell_length_b 7.702235
_cell_length_c 18.4794473
_cell_angle_alpha 89.25448525
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 7dfd46af-fc4e-4f87-98c9-aed8d37566ba | mp-7062 | Add one In atom at the Cartesian coordinate [3.867 4.714 0.296] to the cif file. | data_image0
_chemical_formula_structural Mg3Al9FeSi5
_chemical_formula_sum "Mg3 Al9 Fe1 Si5"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_group_na... | data_image0
_chemical_formula_structural Mg3Al9FeSi5In
_chemical_formula_sum "Mg3 Al9 Fe1 Si5 In1"
_cell_length_a 6.63447981
_cell_length_b 6.634479809999999
_cell_length_c 7.86912
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.99999808999999
_space_gr... |
AddAtomAction | 2b8e0631-922c-446f-96f8-bb05746b7c49 | mp-1221030 | Add one Tl atom at the Cartesian coordinate [ 2.235 1.836 21.779] to the cif file. | data_image0
_chemical_formula_structural Ni32Sn24
_chemical_formula_sum "Ni32 Sn24"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... | data_image0
_chemical_formula_structural Ni32Sn24Tl
_chemical_formula_sum "Ni32 Sn24 Tl1"
_cell_length_a 5.213783
_cell_length_b 7.066098
_cell_length_c 24.57819798
_cell_angle_alpha 89.90060383000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 686615e6-1ed4-4151-b1bc-6d0ecb3791e5 | mp-759549 | Add one Nd atom at the Cartesian coordinate [1.198 7.501 6.194] to the cif file. | data_image0
_chemical_formula_structural Mn2P8O24
_chemical_formula_sum "Mn2 P8 O24"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Mn2P8O24Nd
_chemical_formula_sum "Mn2 P8 O24 Nd1"
_cell_length_a 8.773979
_cell_length_b 7.132297
_cell_length_c 8.45164641
_cell_angle_alpha 57.34594921
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | d3a43726-eae4-4ac6-b079-2180e646f930 | mp-1113577 | Add one Pb atom at the Cartesian coordinate [0.797 0.984 0.549] to the cif file. | data_image0
_chemical_formula_structural Cs2AlAgBr6
_chemical_formula_sum "Cs2 Al1 Ag1 Br6"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999999999... | data_image0
_chemical_formula_structural Cs2AlAgBr6Pb
_chemical_formula_sum "Cs2 Al1 Ag1 Br6 Pb1"
_cell_length_a 7.73385031
_cell_length_b 7.73385031
_cell_length_c 7.73385031
_cell_angle_alpha 59.99999999999999
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.99999... |
AddAtomAction | d0730b7f-58cd-4914-a1bb-ba8c8174bba2 | mp-13211 | Add one Am atom at the Cartesian coordinate [4.064 3.207 3.101] to the cif file. | data_image0
_chemical_formula_structural Ag4Te4O14
_chemical_formula_sum "Ag4 Te4 O14"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001
_spa... | data_image0
_chemical_formula_structural Ag4Te4O14Am
_chemical_formula_sum "Ag4 Te4 O14 Am1"
_cell_length_a 7.32596274
_cell_length_b 7.32592416
_cell_length_c 7.32592584
_cell_angle_alpha 120.35561923
_cell_angle_beta 117.89328692000001
_cell_angle_gamma 91.53610832000001... |
AddAtomAction | b10041ba-5252-4832-9264-7f5ef0fb860f | mp-1197552 | Add one Cn atom at the Cartesian coordinate [2.08 2.642 9.674] to the cif file. | data_image0
_chemical_formula_structural U8Pb4Se20
_chemical_formula_sum "U8 Pb4 Se20"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_space_grou... | data_image0
_chemical_formula_structural U8Pb4Se20Cn
_chemical_formula_sum "U8 Pb4 Se20 Cn1"
_cell_length_a 7.822693
_cell_length_b 8.1085
_cell_length_c 12.886077
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_spac... |
AddAtomAction | 5c985711-a53e-4660-8f77-e798464649fa | mp-703305 | Add one Fl atom at the Cartesian coordinate [1.24 2.653 3.292] to the cif file. | data_image0
_chemical_formula_structural Na8P4H4O16
_chemical_formula_sum "Na8 P4 H4 O16"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H... | data_image0
_chemical_formula_structural Na8P4H4O16Fl
_chemical_formula_sum "Na8 P4 H4 O16 Fl1"
_cell_length_a 6.927296
_cell_length_b 5.506799
_cell_length_c 11.080738149999998
_cell_angle_alpha 63.67625642000001
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_... |
AddAtomAction | 38e886f1-09a4-4e14-9670-e2536e23a910 | mp-2240398 | Add one Co atom at the Cartesian coordinate [6.401 1.692 2.145] to the cif file. | data_image0
_chemical_formula_structural Ba2TmMgNbO6
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.209159... | data_image0
_chemical_formula_structural Ba2TmMgNbO6Co
_chemical_formula_sum "Ba2 Tm1 Mg1 Nb1 O6 Co1"
_cell_length_a 6.75880253
_cell_length_b 6.75552657
_cell_length_c 6.75552659
_cell_angle_alpha 52.21155875999998
_cell_angle_beta 52.209163479999994
_cell_angle_gamma 52.... |
AddAtomAction | 1c883b94-a5b1-41de-a9e1-4d816ecb1a91 | mp-720255 | Add one Lv atom at the Cartesian coordinate [ 3.92 1.94 11.698] to the cif file. | data_image0
_chemical_formula_structural Sr20P12ClO48F3
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023196699... | data_image0
_chemical_formula_structural Sr20P12ClO48F3Lv
_chemical_formula_sum "Sr20 P12 Cl1 O48 F3 Lv1"
_cell_length_a 7.359952
_cell_length_b 9.90469101
_cell_length_c 17.15408517
_cell_angle_alpha 90.00811632999998
_cell_angle_beta 90.00065799
_cell_angle_gamma 90.0023... |
AddAtomAction | 02c2209f-f405-4902-aa70-991375de37cf | mp-27741 | Add one V atom at the Cartesian coordinate [0.478 2.246 7.414] to the cif file. | data_image0
_chemical_formula_structural Te4Au4I4
_chemical_formula_sum "Te4 Au4 I4"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Te4Au4I4V
_chemical_formula_sum "Te4 Au4 I4 V1"
_cell_length_a 7.30427224
_cell_length_b 7.646308469999999
_cell_length_c 7.82800078
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 105.89488352
_space_group_name_H-M_... |
AddAtomAction | a74dc6ca-7a8f-4c26-a5cb-946a34407d82 | mp-1179899 | Add one Tc atom at the Cartesian coordinate [0.542 5.041 1.948] to the cif file. | data_image0
_chemical_formula_structural Pt4N8Cl8O8
_chemical_formula_sum "Pt4 N8 Cl8 O8"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_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 Pt4N8Cl8O8Tc
_chemical_formula_sum "Pt4 N8 Cl8 O8 Tc1"
_cell_length_a 7.528554
_cell_length_b 7.528554
_cell_length_c 16.85768
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_... |
AddAtomAction | 50f70c26-66fe-406f-b9bd-0a50401461cc | mp-29267 | Add one Rb atom at the Cartesian coordinate [2.82 0.811 8.921] to the cif file. | data_image0
_chemical_formula_structural Sn20Sb8S36
_chemical_formula_sum "Sn20 Sb8 S36"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_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 Sn20Sb8S36Rb
_chemical_formula_sum "Sn20 Sb8 S36 Rb1"
_cell_length_a 11.533373
_cell_length_b 11.62481
_cell_length_c 11.663316
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 0cf90b0c-35d1-44db-be52-d04ddf4534d8 | mp-1225820 | Add one Gd atom at the Cartesian coordinate [12.317 3.805 0.985] to the cif file. | data_image0
_chemical_formula_structural Er3Ga8Ni3
_chemical_formula_sum "Er3 Ga8 Ni3"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_space_grou... | data_image0
_chemical_formula_structural Er3Ga8Ni3Gd
_chemical_formula_sum "Er3 Ga8 Ni3 Gd1"
_cell_length_a 7.96507008
_cell_length_b 7.96507008
_cell_length_c 9.50361869
_cell_angle_alpha 54.23683748
_cell_angle_beta 54.23683748
_cell_angle_gamma 30.009609399999995
_spac... |
AddAtomAction | 30258992-2cda-4cfa-a1b6-e9d8b13d6508 | mp-1247664 | Add one Fr atom at the Cartesian coordinate [6.459 5.958 4.89 ] to the cif file. | data_image0
_chemical_formula_structural Sr3Ca5Mn8O24
_chemical_formula_sum "Sr3 Ca5 Mn8 O24"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_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 Sr3Ca5Mn8O24Fr
_chemical_formula_sum "Sr3 Ca5 Mn8 O24 Fr1"
_cell_length_a 7.667348
_cell_length_b 7.667378
_cell_length_c 7.667348
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | f844d645-84c7-4527-8efd-881773129a17 | mp-636519 | Add one Ts atom at the Cartesian coordinate [2.213 2.023 3.264] to the cif file. | data_image0
_chemical_formula_structural Ni2Rh4O8
_chemical_formula_sum "Ni2 Rh4 O8"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group_name_... | data_image0
_chemical_formula_structural Ni2Rh4O8Ts
_chemical_formula_sum "Ni2 Rh4 O8 Ts1"
_cell_length_a 5.96787122
_cell_length_b 6.14836507
_cell_length_c 5.96791536
_cell_angle_alpha 119.02436597
_cell_angle_beta 90.00320417
_cell_angle_gamma 119.02240357
_space_group... |
AddAtomAction | c1e0369d-ef95-4d14-ab35-6b5a5abd3229 | mp-1020642 | Add one Fl atom at the Cartesian coordinate [ 4.863 4.536 11.303] to the cif file. | data_image0
_chemical_formula_structural Sr12Y8B16O48
_chemical_formula_sum "Sr12 Y8 B16 O48"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_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 Sr12Y8B16O48Fl
_chemical_formula_sum "Sr12 Y8 B16 O48 Fl1"
_cell_length_a 7.548728
_cell_length_b 8.728134
_cell_length_c 15.798097
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P... |
AddAtomAction | ab0c7ee8-115a-4fe4-b441-b3d4028028c0 | mp-11609 | Add one Yb atom at the Cartesian coordinate [3.155 1.091 5.27 ] to the cif file. | data_image0
_chemical_formula_structural Sb2Mo4S4
_chemical_formula_sum "Sb2 Mo4 S4"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... | data_image0
_chemical_formula_structural Sb2Mo4S4Yb
_chemical_formula_sum "Sb2 Mo4 S4 Yb1"
_cell_length_a 3.20347563
_cell_length_b 6.55778366
_cell_length_c 9.48259106
_cell_angle_alpha 105.60859122
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | 0f3152db-f23f-4d95-874f-571e17fa2c73 | mp-34578 | Add one U atom at the Cartesian coordinate [8.347 2.61 4.349] 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 Ba8Y6F34U
_chemical_formula_sum "Ba8 Y6 F34 U1"
_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 | a6340bab-14e6-478a-a267-e127a88bc078 | mp-1199595 | Add one Ir atom at the Cartesian coordinate [-3.436 2.596 6.228] to the cif file. | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle_gamma... | data_image0
_chemical_formula_structural MnSn4H24C8Se10N2Ir
_chemical_formula_sum "Mn1 Sn4 H24 C8 Se10 N2 Ir1"
_cell_length_a 10.91665963
_cell_length_b 10.91665963
_cell_length_c 10.91665963
_cell_angle_alpha 123.43561498000001
_cell_angle_beta 123.43561498000001
_cell_angle... |
AddAtomAction | d28a67be-32e8-426d-9aad-6f3b7ff3585d | mp-641010 | Add one Bh atom at the Cartesian coordinate [ 4.277 10.189 0.058] to the cif file. | data_image0
_chemical_formula_structural La16Te12N8
_chemical_formula_sum "La16 Te12 N8"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_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 La16Te12N8Bh
_chemical_formula_sum "La16 Te12 N8 Bh1"
_cell_length_a 7.51634334
_cell_length_b 11.69897623
_cell_length_c 11.87870996
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt ... |
AddAtomAction | dfc783bd-071d-4ec0-b891-7dff0cc9bcef | mp-1176021 | Add one Pd atom at the Cartesian coordinate [4.327 6.529 6.974] to the cif file. | data_image0
_chemical_formula_structural Li9Mn2Co5O16
_chemical_formula_sum "Li9 Mn2 Co5 O16"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space_group... | data_image0
_chemical_formula_structural Li9Mn2Co5O16Pd
_chemical_formula_sum "Li9 Mn2 Co5 O16 Pd1"
_cell_length_a 5.113301
_cell_length_b 5.88116853
_cell_length_c 10.47427648
_cell_angle_alpha 74.56119711
_cell_angle_beta 76.33723168
_cell_angle_gamma 74.44210164
_space... |
AddAtomAction | e3d30840-a92b-42da-853f-a751c6665e8f | mp-2219397 | Add one Po atom at the Cartesian coordinate [1.286 0.286 3.632] to the cif file. | data_image0
_chemical_formula_structural Y2MgCr2O8
_chemical_formula_sum "Y2 Mg1 Cr2 O8"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 100.198... | data_image0
_chemical_formula_structural Y2MgCr2O8Po
_chemical_formula_sum "Y2 Mg1 Cr2 O8 Po1"
_cell_length_a 5.04606392
_cell_length_b 5.149407280000001
_cell_length_c 7.896295460000001
_cell_angle_alpha 105.43100437999999
_cell_angle_beta 105.25056005
_cell_angle_gamma 1... |
AddAtomAction | 4a3bc800-4bf0-4fce-8351-7c4dd463b237 | mp-1174614 | Add one He atom at the Cartesian coordinate [1.415 6.532 5.805] to the cif file. | data_image0
_chemical_formula_structural Li8Mn2Co4O14
_chemical_formula_sum "Li8 Mn2 Co4 O14"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998
_spa... | data_image0
_chemical_formula_structural Li8Mn2Co4O14He
_chemical_formula_sum "Li8 Mn2 Co4 O14 He1"
_cell_length_a 5.15001998
_cell_length_b 7.71852731
_cell_length_c 7.65829315
_cell_angle_alpha 64.20479296
_cell_angle_beta 83.14441006
_cell_angle_gamma 108.31304287999998... |
AddAtomAction | 3c882729-183a-45ed-b652-7c5b0372cb7d | mp-766542 | Add one Ce atom at the Cartesian coordinate [4.792 5.443 5.804] to the cif file. | data_image0
_chemical_formula_structural Li4Fe4Si4O16
_chemical_formula_sum "Li4 Fe4 Si4 O16"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_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 Li4Fe4Si4O16Ce
_chemical_formula_sum "Li4 Fe4 Si4 O16 Ce1"
_cell_length_a 5.101228
_cell_length_b 6.381028
_cell_length_c 10.84451
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 9c2b1cbe-43e1-4ca6-bad1-fb74360de994 | mp-1219949 | Add one Ac atom at the Cartesian coordinate [0.815 4.147 0.384] to the cif file. | data_image0
_chemical_formula_structural Pr2AlFe16
_chemical_formula_sum "Pr2 Al1 Fe16"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75117239... | data_image0
_chemical_formula_structural Pr2AlFe16Ac
_chemical_formula_sum "Pr2 Al1 Fe16 Ac1"
_cell_length_a 6.47215976
_cell_length_b 6.47215976
_cell_length_c 6.472159590000001
_cell_angle_alpha 82.75117038000002
_cell_angle_beta 82.75117038000002
_cell_angle_gamma 82.75... |
AddAtomAction | 1ea5eece-132e-43d4-8e4e-f4658158d171 | mp-7998 | Add one Na atom at the Cartesian coordinate [-2.822 2.868 4.676] to the cif file. | data_image0
_chemical_formula_structural Li4Ge4O10
_chemical_formula_sum "Li4 Ge4 O10"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt "P... | data_image0
_chemical_formula_structural Li4Ge4O10Na
_chemical_formula_sum "Li4 Ge4 O10 Na1"
_cell_length_a 8.20316122
_cell_length_b 8.20316122
_cell_length_c 4.94905911
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 137.53420009
_space_group_name_H-M_alt... |
AddAtomAction | 000fc512-a290-4352-bdd9-d17287d252f6 | mp-1103868 | Add one Rf atom at the Cartesian coordinate [ 1.334 -1.971 5.427] to the cif file. | data_image0
_chemical_formula_structural ZnRe2O12
_chemical_formula_sum "Zn1 Re2 O12"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_group_... | data_image0
_chemical_formula_structural ZnRe2O12Rf
_chemical_formula_sum "Zn1 Re2 O12 Rf1"
_cell_length_a 6.039789
_cell_length_b 7.14870953
_cell_length_c 7.26398357
_cell_angle_alpha 114.88776908999999
_cell_angle_beta 85.61737039
_cell_angle_gamma 113.32795483
_space_... |
AddAtomAction | d322bb0b-cc9f-4bbb-89ed-7d8a8808d28b | mp-1104546 | Add one Cd atom at the Cartesian coordinate [0.172 3.294 2.106] to the cif file. | data_image0
_chemical_formula_structural Co2B6Mo6
_chemical_formula_sum "Co2 B6 Mo6"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_name_H... | data_image0
_chemical_formula_structural Co2B6Mo6Cd
_chemical_formula_sum "Co2 B6 Mo6 Cd1"
_cell_length_a 3.15117013
_cell_length_b 4.49868614
_cell_length_c 10.73849644
_cell_angle_alpha 89.99954025
_cell_angle_beta 90.0
_cell_angle_gamma 110.50151581000001
_space_group_... |
AddAtomAction | 8b48c648-a542-476b-b410-389f6e6bbee8 | mp-560937 | Add one Xe atom at the Cartesian coordinate [1.755 2.322 3.472] to the cif file. | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.87606228000001
... | data_image0
_chemical_formula_structural Na6Si6Sn2O18F2Xe
_chemical_formula_sum "Na6 Si6 Sn2 O18 F2 Xe1"
_cell_length_a 8.75381785
_cell_length_b 8.75381785
_cell_length_c 6.52107054
_cell_angle_alpha 77.06337995
_cell_angle_beta 77.06337995
_cell_angle_gamma 105.876062280... |
AddAtomAction | 0f9a3b68-5fe9-4ca2-a9ce-a6011fd3541b | mp-862697 | Add one Ag atom at the Cartesian coordinate [0.474 2.149 2.08 ] to the cif file. | data_image0
_chemical_formula_structural Er4Mg2Ge4
_chemical_formula_sum "Er4 Mg2 Ge4"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_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 Er4Mg2Ge4Ag
_chemical_formula_sum "Er4 Mg2 Ge4 Ag1"
_cell_length_a 4.17537634
_cell_length_b 7.18786542
_cell_length_c 7.18786542
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1... |
AddAtomAction | df15df1c-922e-4bb3-beca-868ed20f27bf | mp-34578 | Add one Re atom at the Cartesian coordinate [7.308 4.439 1.257] 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 Ba8Y6F34Re
_chemical_formula_sum "Ba8 Y6 F34 Re1"
_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_n... |
AddAtomAction | 14c98c6d-7115-4e1a-b002-ad1581bab94c | mp-1111088 | Add one Ag atom at the Cartesian coordinate [3.67 1.881 1.694] to the cif file. | data_image0
_chemical_formula_structural Na2AlAuF6
_chemical_formula_sum "Na2 Al1 Au1 F6"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999999999... | data_image0
_chemical_formula_structural Na2AlAuF6Ag
_chemical_formula_sum "Na2 Al1 Au1 F6 Ag1"
_cell_length_a 6.01033693
_cell_length_b 6.01033693
_cell_length_c 6.01033693
_cell_angle_alpha 59.999999999999986
_cell_angle_beta 59.99999999999999
_cell_angle_gamma 59.999999... |
AddAtomAction | 341515f2-24d7-47ea-b54a-a95fecd5ab86 | mp-1210476 | Add one Zn atom at the Cartesian coordinate [4.436 6.562 3.024] to the cif file. | data_image0
_chemical_formula_structural Np2H32C6N8O22
_chemical_formula_sum "Np2 H32 C6 N8 O22"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.98552145
... | data_image0
_chemical_formula_structural Np2H32C6N8O22Zn
_chemical_formula_sum "Np2 H32 C6 N8 O22 Zn1"
_cell_length_a 7.30527333
_cell_length_b 7.305273330000001
_cell_length_c 13.02708929
_cell_angle_alpha 87.43786131
_cell_angle_beta 87.43786131
_cell_angle_gamma 78.9855... |
AddAtomAction | 16f751f8-81b6-4e38-ad74-8a88fb1f791f | mp-1197555 | Add one Hf atom at the Cartesian coordinate [8.583 4.646 1.362] to the cif file. | data_image0
_chemical_formula_structural Ca2Al4Si8O28
_chemical_formula_sum "Ca2 Al4 Si8 O28"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.1367042
_sp... | data_image0
_chemical_formula_structural Ca2Al4Si8O28Hf
_chemical_formula_sum "Ca2 Al4 Si8 O28 Hf1"
_cell_length_a 10.03255162
_cell_length_b 10.03255162
_cell_length_c 7.582514060000001
_cell_angle_alpha 74.39628326
_cell_angle_beta 74.39628326
_cell_angle_gamma 83.136704... |
AddAtomAction | e5cfe7e4-718f-4b97-8c05-8f9c6fff9a11 | mp-770361 | Add one Tm atom at the Cartesian coordinate [2.734 2.293 5.494] to the cif file. | data_image0
_chemical_formula_structural Li4V8B4O20
_chemical_formula_sum "Li4 V8 B4 O20"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_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 Li4V8B4O20Tm
_chemical_formula_sum "Li4 V8 B4 O20 Tm1"
_cell_length_a 3.058613
_cell_length_b 9.314923
_cell_length_c 12.401503
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
... |
AddAtomAction | 6401af77-e301-4aef-94fe-98c95f733170 | mp-1195337 | Add one Og atom at the Cartesian coordinate [0.223 1.713 1.056] to the cif file. | data_image0
_chemical_formula_structural Ir4Se12Br36
_chemical_formula_sum "Ir4 Se12 Br36"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_name_H-... | data_image0
_chemical_formula_structural Ir4Se12Br36Og
_chemical_formula_sum "Ir4 Se12 Br36 Og1"
_cell_length_a 9.68802508
_cell_length_b 12.26402471
_cell_length_c 14.15619962
_cell_angle_alpha 90.80305997999999
_cell_angle_beta 90.0
_cell_angle_gamma 90.0
_space_group_n... |
AddAtomAction | 6c186573-814a-4103-9e50-4c43e7a50f46 | mp-1192688 | Add one Eu atom at the Cartesian coordinate [ 2.468 11.597 2.043] to the cif file. | data_image0
_chemical_formula_structural Zn4N24
_chemical_formula_sum "Zn4 N24"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P 1"
_sp... | data_image0
_chemical_formula_structural Zn4N24Eu
_chemical_formula_sum "Zn4 N24 Eu1"
_cell_length_a 3.46225614
_cell_length_b 16.34917739
_cell_length_c 7.37629299
_cell_angle_alpha 90.0
_cell_angle_beta 111.7166702
_cell_angle_gamma 90.0
_space_group_name_H-M_alt "P ... |
AddAtomAction | 8dc2ff47-8927-4821-ba8e-4a088add6111 | mp-38090 | Add one C atom at the Cartesian coordinate [ 7.101 4.945 10.871] to the cif file. | data_image0
_chemical_formula_structural Fe12Cu6O24
_chemical_formula_sum "Fe12 Cu6 O24"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999
_s... | data_image0
_chemical_formula_structural Fe12Cu6O24C
_chemical_formula_sum "Fe12 Cu6 O24 C1"
_cell_length_a 6.05186412
_cell_length_b 6.05186412
_cell_length_c 14.709387490000001
_cell_angle_alpha 87.92009041
_cell_angle_beta 87.92009041
_cell_angle_gamma 59.09715076999999... |
AddAtomAction | 1494687b-71f2-482c-9dd5-174912f59386 | mp-530303 | Add one W atom at the Cartesian coordinate [6.019 1.718 8.748] to the cif file. | data_image0
_chemical_formula_structural Mg8Ga16O32
_chemical_formula_sum "Mg8 Ga16 O32"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.480380989999986
_... | data_image0
_chemical_formula_structural Mg8Ga16O32W
_chemical_formula_sum "Mg8 Ga16 O32 W1"
_cell_length_a 5.93530032
_cell_length_b 5.93530032
_cell_length_c 19.652703019999997
_cell_angle_alpha 81.47070874
_cell_angle_beta 81.47070874
_cell_angle_gamma 60.48038098999998... |
AddAtomAction | 00131f7f-be4a-4172-ad4e-b971598e0937 | mp-2913130 | Add one Te atom at the Cartesian coordinate [-0.357 3.876 1.302] to the cif file. | data_image0
_chemical_formula_structural Li3VF8
_chemical_formula_sum "Li3 V1 F8"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_space_... | data_image0
_chemical_formula_structural Li3VF8Te
_chemical_formula_sum "Li3 V1 F8 Te1"
_cell_length_a 5.99358865
_cell_length_b 5.9935886499999995
_cell_length_c 5.475367460000001
_cell_angle_alpha 73.83672157
_cell_angle_beta 73.83672157
_cell_angle_gamma 110.45852953
_... |
AddAtomAction | 186954d3-7cef-40ca-b418-2b3dbf529c48 | mp-755878 | Add one Th atom at the Cartesian coordinate [5.326 5.2 4.97 ] to the cif file. | data_image0
_chemical_formula_structural Cu6OF11
_chemical_formula_sum "Cu6 O1 F11"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_name_H-M... | data_image0
_chemical_formula_structural Cu6OF11Th
_chemical_formula_sum "Cu6 O1 F11 Th1"
_cell_length_a 5.54772546
_cell_length_b 5.83613003
_cell_length_c 6.94050569
_cell_angle_alpha 76.19187362
_cell_angle_beta 72.94332115
_cell_angle_gamma 69.63346733
_space_group_na... |
AddAtomAction | 96d392e4-48fa-4d90-9c71-ad7386bf6306 | mp-1227253 | Add one Ir atom at the Cartesian coordinate [5.104 5.702 3.869] to the cif file. | data_image0
_chemical_formula_structural CaU3Ti8O24
_chemical_formula_sum "Ca1 U3 Ti8 O24"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_group_nam... | data_image0
_chemical_formula_structural CaU3Ti8O24Ir
_chemical_formula_sum "Ca1 U3 Ti8 O24 Ir1"
_cell_length_a 7.50474
_cell_length_b 7.85782394
_cell_length_c 8.45750307
_cell_angle_alpha 98.93237861
_cell_angle_beta 111.53004347
_cell_angle_gamma 94.83442283
_space_gro... |
AddAtomAction | 12da37f4-eaaf-47a1-ab3e-f2ad4a4298d1 | mp-1181827 | Add one Ac atom at the Cartesian coordinate [6.866 0.851 2.884] to the cif file. | data_image0
_chemical_formula_structural Er12N4F40
_chemical_formula_sum "Er12 N4 F40"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-M_alt ... | data_image0
_chemical_formula_structural Er12N4F40Ac
_chemical_formula_sum "Er12 N4 F40 Ac1"
_cell_length_a 8.12643323
_cell_length_b 8.12643323
_cell_length_c 13.371717
_cell_angle_alpha 90.0
_cell_angle_beta 90.0
_cell_angle_gamma 119.92402119000002
_space_group_name_H-... |
AddAtomAction | f2cf73aa-73de-4e4b-a0b0-e8942561b40a | mp-641116 | Add one Pm atom at the Cartesian coordinate [-0.881 2.231 2.806] to the cif file. | data_image0
_chemical_formula_structural GdMn4Cu3O12
_chemical_formula_sum "Gd1 Mn4 Cu3 O12"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_space_grou... | data_image0
_chemical_formula_structural GdMn4Cu3O12Pm
_chemical_formula_sum "Gd1 Mn4 Cu3 O12 Pm1"
_cell_length_a 6.37845994
_cell_length_b 6.4576094
_cell_length_c 6.45219108
_cell_angle_alpha 111.0051748
_cell_angle_beta 110.61174709
_cell_angle_gamma 107.00825315
_spac... |
AddAtomAction | 805ae03c-b7aa-42f2-adbe-b7fefa8d1679 | mp-1177674 | Add one Ar atom at the Cartesian coordinate [-0.129 0.956 6.5 ] to the cif file. | data_image0
_chemical_formula_structural Li12Mn16O32
_chemical_formula_sum "Li12 Mn16 O32"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_group_... | data_image0
_chemical_formula_structural Li12Mn16O32Ar
_chemical_formula_sum "Li12 Mn16 O32 Ar1"
_cell_length_a 8.357872
_cell_length_b 8.88809956
_cell_length_c 10.12754406
_cell_angle_alpha 116.01511995
_cell_angle_beta 114.00596833
_cell_angle_gamma 89.78675433
_space_... |
AddAtomAction | 3d495073-6b88-4e8d-9476-2214c2881f85 | mp-1105260 | Add one Nh atom at the Cartesian coordinate [16.047 3.95 4.853] to the cif file. | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2
_chemical_formula_sum "Tb8 In2 Ge8 Rh2"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367846000... | data_image0
_chemical_formula_structural Tb8In2Ge8Rh2Nh
_chemical_formula_sum "Tb8 In2 Ge8 Rh2 Nh1"
_cell_length_a 10.44400831
_cell_length_b 10.444008309999997
_cell_length_c 10.37373357
_cell_angle_alpha 75.29995745
_cell_angle_beta 75.29995745
_cell_angle_gamma 23.63367... |
AddAtomAction | 80cb841c-b5ed-42b2-b14e-e8b9f8685aea | mp-1178619 | Add one Xe atom at the Cartesian coordinate [6.946 6.637 8.909] to the cif file. | data_image0
_chemical_formula_structural Zr2Cl8O32
_chemical_formula_sum "Zr2 Cl8 O32"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_space_grou... | data_image0
_chemical_formula_structural Zr2Cl8O32Xe
_chemical_formula_sum "Zr2 Cl8 O32 Xe1"
_cell_length_a 8.27100313
_cell_length_b 8.27100313
_cell_length_c 13.87605052
_cell_angle_alpha 75.16549651
_cell_angle_beta 75.16549651
_cell_angle_gamma 63.03230164000001
_spac... |
AddAtomAction | 969ba585-74b3-4cdc-a6a2-925431f14abf | mp-581602 | Add one Ti atom at the Cartesian coordinate [18.303 0.859 0.905] 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 Zn12S12Ti
_chemical_formula_sum "Zn12 S12 Ti1"
_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... |
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