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Record Count: 13397
Id Icsd Composition Lattice Symmmetry Direct Indirect Spin
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5242 75503 C6Ag3Cd1N6Rb1 hexagonal P312 2.760 None 0.000 -0.000 0.000 0.000
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5243 28501 C6Ag3Co1N6 hexagonal P-31m 3.419 3.269 0.000 0.000 -0.000 -0.000
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5244 173553 C6Ag3Fe1N6 hexagonal P-31m 3.631 3.596 -0.011 0.089 0.894 0.972
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5245 281280 C6Ag3K1Mn1N6 hexagonal P312 1.550 None 0.081 0.167 4.410 4.658
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5246 65699 C6Ag3K2N6Na1 hexagonal P-31m 2.626 None -0.000 0.000 -0.000 0.000
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5247 201056 C6Au3Co1K1N6 hexagonal P312 None None 0.069 0.045 0.884 0.998
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5248 249724 C6Au3K1N6Ni1 hexagonal P312 1.879 None 0.128 0.255 1.600 1.982
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5249 79593 C6Bi1Cs2N6Na1S6 hexagonal P-3 2.635 2.577 -0.000 -0.000 -0.000 -0.000
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5250 417821 C6Cd2N6Os1 hexagonal P-3 2.367 None 0.000 0.000 0.000 0.000
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5251 417822 C6Cd2N6Ru1 hexagonal P-3 2.592 None -0.000 0.000 -0.000 0.000
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5252 99499 C6Cu1Fe1K2N6 triclinic P-1 4.081 4.005 0.084 0.216 0.690 0.990
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5253 417824 C6Fe1Mn2N6 hexagonal P-3 2.830 None 0.142 0.331 8.884 9.357
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5254 51493 C6Fe1N6Pb2 hexagonal P-3 3.435 3.381 -0.000 0.000 -0.000 -0.000
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5255 51494 C6Fe1N6Sn2 hexagonal P-3 3.621 3.498 -0.000 -0.000 0.000 -0.000
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5256 431991 C6Fe3Ge2I10O6 triclinic P-1 1.649 1.648 0.046 0.138 3.628 3.812
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5257 24932 C6K3Mn1N6 orthorhombic Pncm None None 0.007 0.494 -4.915 -4.414
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5258 193441 C6Li1 hexagonal P6/mmm None None 0.000 0.000 0.000 0.000
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5259 251426 C6Li1N4 monoclinic P12/c1 2.615 2.571 0.021 1.143 0.000 1.164
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5260 72382 C7Re2Sc5 orthorhombic Cmmm None None 0.000 -0.000 0.000 0.000
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5261 20351 C8 cubic Im-3 3.856 3.175 0.000 -0.000 0.000 -0.000
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5262 415547 C8B2N8Zn1 hexagonal P-3m1 5.456 5.410 0.000 0.000 -0.000 0.000
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5263 409861 C8Ba1N8Pt2Rb2 tetragonal P4/mmm 1.789 1.788 0.000 -0.000 0.000 -0.000
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5264 74641 C8Cs1 hexagonal P6222 None None -0.000 0.002 0.000 0.002
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5265 428561 C8Cu1N6 orthorhombic Pmna 0.243 0.178 -0.221 -0.380 -1.378 -1.980
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5266 171338 C8F12O8Ru2 triclinic P-1 1.804 1.803 0.006 0.031 1.839 1.876
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5267 12166 C8Hg3K2N8O8 triclinic P-1 3.267 3.264 -0.000 0.000 0.000 0.000
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5269 52747 Ca1 hexagonal P63/mmc None None -0.000 -0.000 0.000 -0.000
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5270 52748 Ca1 cubic Pm-3m None None None
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5271 619184 Ca1 cubic Fm-3m 0.559 0.162 0.000 -0.000 -0.000 0.000
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5272 619183 Ca1 cubic Im-3m None None -0.000 0.000 0.000 0.001
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5273 168757 Ca1 orthorhombic Pn21a None None -0.000 -0.000 0.000 -0.000
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5274 162255 Ca1 orthorhombic Cmca None None 0.000 -0.000 -0.000 0.000
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5275 168759 Ca1 tetragonal Cmmm None None -0.000 -0.000 -0.000 -0.000
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5276 162253 Ca1 tetragonal P41212 None None 0.000 0.000 -0.000 -0.000
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5277 619188 Ca1Cd1 cubic Pm-3m None None 0.000 -0.000 -0.000 -0.000
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5278 52750 Ca1Cd1Ge1 hexagonal P-62m None None 0.000 -0.000 -0.000 -0.000
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5279 58877 Ca1Cd1Pb1 hexagonal P-62m None None -0.000 -0.000 -0.000 -0.000
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5280 426611 Ca1Cd1Pd1 orthorhombic Pnma None None 0.000 -0.000 0.000 0.000
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5281 426610 Ca1Cd1Pt1 orthorhombic Pnma None None -0.000 -0.000 -0.000 -0.000
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5282 58878 Ca1Cd1Sn1 hexagonal P-62m None None -0.000 -0.000 -0.000 -0.000
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5283 619190 Ca1Cd2 hexagonal P63/mmc None None 0.000 0.000 0.000 0.000
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5284 420576 Ca1Cd2 orthorhombic Imma None None -0.000 0.000 -0.000 -0.000
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5286 619198 Ca1Cd2P2 hexagonal P-3m1 0.801 None -0.000 -0.000 -0.000 -0.000
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5287 425509 Ca1Cd2Pd1 orthorhombic Pnma None None 0.000 0.000 -0.000 0.000
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5288 12151 Ca1Cd2Sb2 hexagonal P-3m1 0.367 0.106 0.000 0.000 0.000 0.000
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5289 1130 Ca1Cl1F1 tetragonal P4/nmmZ 5.659 None -0.000 0.000 -0.000 0.000
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5290 96556 Ca1Cl1Fe1O2 monoclinic C12/m1 5.043 4.481 0.229 2.222 16.857 19.308
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5291 69869 Ca1Cl1Fe1O2 monoclinic A1m1 5.057 4.512 0.228 2.223 16.858 19.309
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5292 246417 Ca1Cl2 tetragonal P42/mnm 5.363 None -0.000 0.000 -0.000 -0.000
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5293 246416 Ca1Cl2 orthorhombic Pnnm 5.402 None -0.000 0.000 -0.000 -0.000
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5294 56769 Ca1Cl2 orthorhombic Pbcn 5.656 5.651 0.000 0.000 0.000 0.000
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5295 171020 Ca1Cl2O4 orthorhombic CccaZ 2.532 2.520 0.000 -0.000 0.000 -0.000
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5296 32730 Ca1Co1F6Li1 hexagonal P-31c 3.103 None -0.000 0.000 -0.000 -0.000
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5297 252146 Ca1Co1O1S1 hexagonal P63mc 2.624 None 0.074 0.509 5.026 5.609
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5298 202852 Ca1Co1O7P2 triclinic P-1 4.756 4.688 0.076 0.299 5.503 5.878
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5299 428148 Ca1Co1Si1 tetragonal P4/nmmZ None None -0.000 -0.000 -0.000 -0.000
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5300 619207 Ca1Co2Ga3 orthorhombic Cmcm None None -0.000 -0.000 -0.000 -0.000
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5301 81751 Ca1Co2Ge2 tetragonal I4/mmm None None 0.000 0.000 0.000 0.000
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5302 245715 Ca1Co2O4 orthorhombic Pnma 1.810 1.774 -0.000 0.000 -0.000 -0.000
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5303 619210 Ca1Co2P2 tetragonal I4/mmm None None 0.031 0.025 2.336 2.392
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5304 420974 Ca1Co2Si2 tetragonal I4/mmm None None 0.000 0.000 -0.000 -0.000
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5305 10286 Ca1Cr1F5 monoclinic C12/c1 3.037 None 0.069 0.159 11.440 11.667
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5306 23174 Ca1Cr1F5 monoclinic C1c1 3.050 None 0.069 0.160 11.438 11.666
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5307 10343 Ca1Cr1F6 rhombohedral R-3H 1.901 1.794 0.040 -0.056 5.926 5.910
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5308 73985 Ca1Cr1F6Li1 hexagonal P-31c 4.311 None 0.038 0.062 5.742 5.842
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5309 245840 Ca1Cr1O3 orthorhombic Pbnm 0.844 0.695 0.058 -0.565 8.416 7.909
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5310 83387 Ca1Cr1O4 tetragonal I41/amdZ 2.351 None -0.000 -0.000 -0.000 -0.000
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5311 411743 Ca1Cr1O7P2 triclinic P-1 3.057 2.997 0.120 0.045 7.391 7.556
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5312 6131 Ca1Cr2O4 orthorhombic PmmnS 3.099 3.097 0.214 -0.176 23.241 23.279
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5313 8288 Ca1Cr2O4 orthorhombic Pbnm 2.740 None 0.194 -0.243 23.284 23.235
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5314 45309 Ca1Cs1F3 cubic Pm-3m 6.925 6.901 0.000 0.000 -0.000 0.000
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5315 56433 Ca1Cs1N3O6 rhombohedral R3R 2.725 2.699 0.000 -0.000 0.000 -0.000
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5316 82616 Ca1Cs2F4 tetragonal I4/mmm 6.138 6.105 0.000 0.000 0.000 0.000
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5317 619217 Ca1Cu1 monoclinic P121/m1 None None 0.000 0.000 0.000 0.000
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5319 106332 Ca1Cu1In2 orthorhombic Cmcm None None 0.000 0.000 -0.000 0.000
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5320 75868 Ca1Cu1O2 tetragonal P4/mmm None None -0.000 -0.000 -0.000 -0.000
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5321 84868 Ca1Cu1O2 monoclinic P1211 0.537 0.072 0.000 -0.007 0.009 0.002
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5322 49740 Ca1Cu1P1 hexagonal P63/mmc None None 0.000 0.000 0.000 0.000
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5323 659589 Ca1Cu1Sb1 hexagonal P63/mmc None None 0.000 -0.000 0.000 -0.000
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5324 619230 Ca1Cu2Ge2 tetragonal I4/mmm None None -0.000 -0.000 -0.000 -0.000
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5325 291025 Ca1Cu2O3 orthorhombic PmmnZ None None 0.000 -0.000 -0.000 -0.000
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5326 74165 Ca1Cu2O7Sr2Tl1 tetragonal P4/mmm None None -0.008 -0.025 -0.056 -0.090
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5327 41756 Ca1Cu2P2 tetragonal I4/mmm None None 0.000 0.000 -0.000 0.000
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5328 241336 Ca1Cu2S2 hexagonal P-3m1 1.172 None -0.000 0.000 -0.000 -0.000
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5329 619238 Ca1Cu2Si2 tetragonal I4/mmm None None -0.000 0.000 0.000 -0.000
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5330 417717 Ca1Cu2Sn2 monoclinic C12/m1 None None -0.000 0.000 0.000 0.000
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5331 658914 Ca1Cu4In1 cubic F-43m None None 0.000 -0.000 -0.000 -0.000
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5332 62553 Ca1Cu4P2 tetragonal P42/mnm None None -0.000 -0.000 0.000 0.000
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5333 619215 Ca1Cu5 hexagonal P6/mmm None None 0.000 -0.000 -0.000 -0.000
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5334 656448 Ca1F2 cubic Fm-3m 7.586 None 0.000 0.000 -0.000 0.000
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5335 656449 Ca1F2 orthorhombic Pnma 7.582 None 0.000 0.000 0.000 0.000
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5336 154074 Ca1F3K1 cubic Pm-3m 6.281 6.148 0.000 -0.000 0.000 -0.000
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5337 153629 Ca1F3K1 orthorhombic Pnma 7.024 7.011 -0.000 -0.000 -0.000 -0.000
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5338 201253 Ca1F3Rb1 cubic Pm-3m 6.520 6.405 -0.000 -0.000 -0.000 -0.000
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5340 31366 Ca1F4Zn1 tetragonal I41/aS 5.551 None -0.000 0.000 0.000 -0.000
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5341 412862 Ca1F5Fe1 monoclinic P121/c1 6.572 None 0.153 1.889 17.599 19.641
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5342 69632 Ca1F5Mn1 monoclinic C12/c1 1.450 1.343 0.118 0.353 15.131 15.602
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5343 49529 Ca1F5Ti1 monoclinic I12/c1 0.247 0.236 0.026 0.038 3.621 3.685
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5344 152300 Ca1F6Ga1Li1 hexagonal P-31c 6.407 6.374 -0.000 0.000 -0.000 0.000
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5345 32732 Ca1F6Li1Ni1 hexagonal P-31c 7.477 None 0.042 1.181 4.668 5.892