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{
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{
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{
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"structure_string": "Ba4 Li4 Ti19 O44\n1.0\n5.882363 0.000000 0.000000\n0.037650 10.069023 0.000000\n0.083018 0.071143 14.178305\nBa Li Ti O\n4 4 19 44\ndirect\n0.243440 0.606034 0.094336 Ba\n0.248193 0.911324 0.589188 Ba\n0.744750 0.093043 0.408607 Ba\n0.752836 0.395158 0.898660 Ba\n0.025336 0.500312 0.521010 Li\n0.257286 0.604287 0.652766 Li\n0.706125 0.414947 0.443984 Li\n0.750557 0.073656 0.962413 Li\n0.240215 0.387493 0.332604 Ti\n0.234349 0.243395 0.511672 Ti\n0.237225 0.574743 0.844030 Ti\n0.244034 0.937480 0.330796 Ti\n0.250583 0.259237 0.997146 Ti\n0.253499 0.114720 0.823946 Ti\n0.494214 0.342882 0.668251 Ti\n0.491833 0.163651 0.171037 Ti\n0.494289 0.664634 0.335444 Ti\n0.504134 0.845515 0.823292 Ti\n0.735339 0.766661 0.514791 Ti\n0.738111 0.731728 0.000754 Ti\n0.745986 0.433669 0.169785 Ti\n0.747850 0.886189 0.165241 Ti\n0.762326 0.591370 0.675807 Ti\n0.770561 0.096382 0.664486 Ti\n0.994109 0.671896 0.332883 Ti\n0.994507 0.163803 0.168544 Ti\n0.002370 0.844636 0.828618 Ti\n0.998273 0.007033 0.748917 O\n0.999429 0.151026 0.576101 O\n0.005964 0.529548 0.758120 O\n0.012605 0.678316 0.916081 O\n0.017994 0.330346 0.421039 O\n0.033620 0.179704 0.917280 O\n0.237909 0.240250 0.246847 O\n0.248945 0.748928 0.263678 O\n0.239649 0.568662 0.395376 O\n0.246129 0.108748 0.090360 O\n0.245252 0.435575 0.932100 O\n0.249949 0.061367 0.422602 O\n0.253868 0.750022 0.761342 O\n0.250925 0.927237 0.890780 O\n0.258163 0.396623 0.582390 O\n0.277153 0.255630 0.749939 O\n0.452864 0.312384 0.409467 O\n0.468970 0.178683 0.919889 O\n0.491364 0.507409 0.748512 O\n0.491573 0.998546 0.251222 O\n0.492512 0.819900 0.412826 O\n0.498645 0.496253 0.250288 O\n0.498866 0.322967 0.090702 O\n0.499394 0.672320 0.912993 O\n0.503076 0.003387 0.748753 O\n0.502452 0.176278 0.582891 O\n0.528974 0.689184 0.593582 O\n0.533660 0.813856 0.085802 O\n0.732367 0.442189 0.599315 O\n0.735231 0.244839 0.732239 O\n0.748700 0.601637 0.414558 O\n0.740605 0.931502 0.568000 O\n0.744285 0.070238 0.104468 O\n0.743206 0.250791 0.237945 O\n0.743328 0.739574 0.256156 O\n0.746957 0.561195 0.070306 O\n0.749890 0.893409 0.912815 O\n0.755207 0.763785 0.755413 O\n0.956363 0.814797 0.086296 O\n0.971574 0.674795 0.585482 O\n0.985967 0.496420 0.247485 O\n0.986381 0.321915 0.089347 O\n0.997595 0.997619 0.251324 O\n0.002440 0.823575 0.409968 O\n",
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{
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"structure_string": "Gd4 Fe4 B16\n1.0\n3.402207 0.000000 0.000000\n0.000000 5.932029 0.000000\n0.000000 0.000000 11.477858\nGd Fe B\n4 4 16\ndirect\n0.500000 0.626032 0.650442 Gd\n0.500000 0.373968 0.349558 Gd\n0.500000 0.126032 0.849558 Gd\n0.500000 0.873968 0.150442 Gd\n0.500000 0.631772 0.912328 Fe\n0.500000 0.368228 0.087672 Fe\n0.500000 0.131772 0.587672 Fe\n0.500000 0.868228 0.412328 Fe\n0.000000 0.860054 0.967736 B\n0.000000 0.139946 0.032264 B\n0.000000 0.360054 0.532264 B\n0.000000 0.639946 0.467736 B\n0.000000 0.975713 0.689756 B\n0.000000 0.024287 0.310244 B\n0.000000 0.475713 0.810244 B\n0.000000 0.524287 0.189756 B\n0.000000 0.780527 0.816788 B\n0.000000 0.219473 0.183212 B\n0.000000 0.280527 0.683212 B\n0.000000 0.719473 0.316788 B\n0.000000 0.888819 0.545735 B\n0.000000 0.111181 0.454265 B\n0.000000 0.388819 0.954265 B\n0.000000 0.611181 0.045735 B\n",
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{
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"structure_string": "Cr4 N8\n1.0\n4.435130 3.592933 0.000000\n-4.435130 3.592933 0.000000\n0.000000 1.039871 5.756982\nCr N\n4 8\ndirect\n0.044367 0.963851 0.997401 Cr\n0.963851 0.044367 0.497401 Cr\n0.372820 0.543609 0.915512 Cr\n0.543609 0.372820 0.415512 Cr\n0.278465 0.153565 0.466081 N\n0.153565 0.278465 0.966081 N\n0.898174 0.863076 0.281168 N\n0.863076 0.898174 0.781168 N\n0.480501 0.550357 0.625773 N\n0.550357 0.480501 0.125773 N\n0.262126 0.798810 0.963595 N\n0.798810 0.262126 0.463595 N\n",
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{
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{
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"structure_string": "Dy2 V2 O8\n1.0\n-3.606121 3.606121 3.177216\n3.606121 -3.606121 3.177216\n3.606121 3.606121 -3.177216\nDy V O\n2 2 8\ndirect\n0.250000 0.750000 0.500000 Dy\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.000000 V\n0.750000 0.250000 0.500000 V\n0.323936 0.508710 0.184773 O\n0.323936 0.139163 0.815227 O\n0.491290 0.676064 0.815227 O\n0.926064 0.610837 0.684773 O\n0.926064 0.241290 0.315227 O\n0.860837 0.676064 0.184773 O\n0.389163 0.073936 0.315227 O\n0.758710 0.073936 0.684773 O\n",
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"formula_full": "Dy2 V2 O8",
"formula_reduced": "DyVO4",
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"updated_at": "2021-11-28T01:35:45.419000Z",
"spacegroup": 141
},
{
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"structure_string": "K4 Tb2 Nb10 O30\n1.0\n12.757534 0.000000 0.000000\n0.000000 12.757534 0.000000\n0.000000 0.000000 3.955567\nK Tb Nb O\n4 2 10 30\ndirect\n0.670019 0.170019 0.500000 K\n0.329981 0.829981 0.500000 K\n0.170019 0.329981 0.500000 K\n0.829981 0.670019 0.500000 K\n0.000000 0.000000 0.500000 Tb\n0.500000 0.500000 0.500000 Tb\n0.500000 0.000000 0.000000 Nb\n0.000000 0.500000 0.000000 Nb\n0.212075 0.076471 0.000000 Nb\n0.787925 0.923529 0.000000 Nb\n0.076471 0.787925 0.000000 Nb\n0.712075 0.423529 0.000000 Nb\n0.923529 0.212075 0.000000 Nb\n0.287925 0.576471 0.000000 Nb\n0.576471 0.712075 0.000000 Nb\n0.423529 0.287925 0.000000 Nb\n0.185786 0.078482 0.500000 O\n0.814214 0.921518 0.500000 O\n0.078482 0.814214 0.500000 O\n0.685786 0.421518 0.500000 O\n0.921518 0.185786 0.500000 O\n0.314214 0.578482 0.500000 O\n0.578482 0.685786 0.500000 O\n0.421518 0.314214 0.500000 O\n0.217187 0.717187 0.000000 O\n0.782813 0.282813 0.000000 O\n0.717187 0.782813 0.000000 O\n0.282813 0.217187 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.057942 0.130848 0.000000 O\n0.942058 0.869152 0.000000 O\n0.130848 0.942058 0.000000 O\n0.557942 0.369152 0.000000 O\n0.869152 0.057942 0.000000 O\n0.442058 0.630848 0.000000 O\n0.630848 0.557942 0.000000 O\n0.369152 0.442058 0.000000 O\n0.342112 0.999585 0.000000 O\n0.657888 0.000415 0.000000 O\n0.999585 0.657888 0.000000 O\n0.842112 0.500415 0.000000 O\n0.000415 0.342112 0.000000 O\n0.157888 0.499585 0.000000 O\n0.499585 0.842112 0.000000 O\n0.500415 0.157888 0.000000 O\n",
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"density_atomic": 0.07145220206695531,
"volume": 643.7870166253945,
"volume_molar": 8.4282087686491,
"formula_full": "K4 Tb2 Nb10 O30",
"formula_reduced": "K2TbNb5O15",
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"updated_at": "2021-11-28T01:35:53.043000Z",
"spacegroup": 127
}
]
}