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{
"id": "mp-8846",
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"structure_string": "Ba6 Nb10 O30\n1.0\n12.829010 0.000000 0.000000\n0.000000 12.829010 0.000000\n0.000000 0.000000 4.042800\nBa Nb O\n6 10 30\ndirect\n0.332416 0.832416 0.000000 Ba\n0.832416 0.667584 0.000000 Ba\n0.167584 0.332416 0.000000 Ba\n0.667584 0.167584 0.000000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.000000 Ba\n0.422180 0.287446 0.500000 Nb\n0.577820 0.712554 0.500000 Nb\n0.712554 0.422180 0.500000 Nb\n0.287446 0.577820 0.500000 Nb\n0.787446 0.922180 0.500000 Nb\n0.922180 0.212554 0.500000 Nb\n0.077820 0.787446 0.500000 Nb\n0.212554 0.077820 0.500000 Nb\n0.000000 0.500000 0.500000 Nb\n0.500000 0.000000 0.500000 Nb\n0.360333 0.431591 0.500000 O\n0.639667 0.568409 0.500000 O\n0.568409 0.360333 0.500000 O\n0.431591 0.639667 0.500000 O\n0.931591 0.860333 0.500000 O\n0.860333 0.068409 0.500000 O\n0.139667 0.931591 0.500000 O\n0.068409 0.139667 0.500000 O\n0.156749 0.492991 0.500000 O\n0.843251 0.507009 0.500000 O\n0.507009 0.156749 0.500000 O\n0.492991 0.843251 0.500000 O\n0.992991 0.656749 0.500000 O\n0.656749 0.007009 0.500000 O\n0.343251 0.992991 0.500000 O\n0.007009 0.343251 0.500000 O\n0.500000 0.000000 0.000000 O\n0.000000 0.500000 0.000000 O\n0.780057 0.280057 0.500000 O\n0.280057 0.219943 0.500000 O\n0.719943 0.780057 0.500000 O\n0.219943 0.719943 0.500000 O\n0.208260 0.078145 0.000000 O\n0.078145 0.791740 0.000000 O\n0.921855 0.208260 0.000000 O\n0.791740 0.921855 0.000000 O\n0.291740 0.578145 0.000000 O\n0.708260 0.421855 0.000000 O\n0.578145 0.708260 0.000000 O\n0.421855 0.291740 0.000000 O\n",
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{
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{
"id": "mp-1190765",
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"structure_string": "Nd6 Si4 Ni12\n1.0\n-4.462249 4.462249 4.462249\n4.462249 -4.462249 4.462249\n4.462249 4.462249 -4.462249\nNd Si Ni\n6 4 12\ndirect\n0.715515 0.715515 0.000000 Nd\n0.284485 0.000000 0.284485 Nd\n0.000000 0.284485 0.284485 Nd\n0.284485 0.284485 0.000000 Nd\n0.715515 0.000000 0.715515 Nd\n0.000000 0.715515 0.715515 Nd\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.330696 0.330696 0.661393 Ni\n0.669304 0.000000 0.330696 Ni\n0.000000 0.669304 0.330696 Ni\n0.669304 0.330696 0.000000 Ni\n0.330696 0.661393 0.330696 Ni\n0.000000 0.330696 0.669304 Ni\n0.330696 0.669304 0.000000 Ni\n0.330696 0.000000 0.669304 Ni\n0.661393 0.330696 0.330696 Ni\n0.669304 0.669304 0.338607 Ni\n0.669304 0.338607 0.669304 Ni\n0.338607 0.669304 0.669304 Ni\n",
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{
"id": "mp-1094300",
"created_at": "2022-09-04T14:41:21.924411Z",
"structure_string": "Sr2 Mg4\n1.0\n1.788718 6.292557 0.000000\n-1.788718 6.292557 0.000000\n0.000000 3.079529 8.448919\nSr Mg\n2 4\ndirect\n0.844893 0.844893 0.625342 Sr\n0.155107 0.155107 0.374658 Sr\n0.145019 0.145019 0.977931 Mg\n0.541804 0.541804 0.767453 Mg\n0.458196 0.458196 0.232547 Mg\n0.854981 0.854981 0.022069 Mg\n",
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"spacegroup": 12
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{
"id": "mp-1208096",
"created_at": "2022-09-04T14:41:21.963944Z",
"structure_string": "Tl2 Bi2 W4 O16\n1.0\n5.468078 5.505878 0.000000\n-5.468078 5.505878 0.000000\n0.000000 4.861079 5.778693\nTl Bi W O\n2 2 4 16\ndirect\n0.204473 0.795527 0.750000 Tl\n0.795527 0.204473 0.250000 Tl\n0.781813 0.218187 0.750000 Bi\n0.218187 0.781813 0.250000 Bi\n0.697277 0.687393 0.780322 W\n0.302723 0.312607 0.219678 W\n0.312607 0.302723 0.719678 W\n0.687393 0.697277 0.280322 W\n0.623295 0.751638 0.557879 O\n0.376705 0.248362 0.442121 O\n0.248362 0.376705 0.942121 O\n0.751638 0.623295 0.057879 O\n0.378719 0.067913 0.868423 O\n0.621281 0.932087 0.131577 O\n0.932087 0.621281 0.631577 O\n0.067913 0.378719 0.368423 O\n0.586399 0.373669 0.970910 O\n0.413601 0.626331 0.029090 O\n0.626331 0.413601 0.529090 O\n0.373669 0.586399 0.470910 O\n0.787258 0.949855 0.687087 O\n0.212742 0.050145 0.312913 O\n0.050145 0.212742 0.812913 O\n0.949855 0.787258 0.187087 O\n",
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"formula_full": "Tl2 Bi2 W4 O16",
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{
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"structure_string": "B12 S1\n1.0\n2.795811 1.614162 4.113381\n-2.795811 1.614162 4.113381\n0.000000 -3.228324 4.113381\nB S\n12 1\ndirect\n0.828091 0.503988 0.503988 B\n0.503988 0.503988 0.828091 B\n0.503988 0.828091 0.503988 B\n0.166212 0.494704 0.494704 B\n0.494704 0.494704 0.166212 B\n0.494704 0.166212 0.494704 B\n0.820940 0.300591 0.300591 B\n0.300591 0.300591 0.820940 B\n0.300591 0.820940 0.300591 B\n0.200949 0.686199 0.686199 B\n0.686199 0.686199 0.200949 B\n0.686199 0.200949 0.686199 B\n0.913645 0.913645 0.913645 S\n",
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{
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"structure_string": "Tm2 Sb2 Pb4 O12\n1.0\n2.925093 5.101656 0.000000\n-2.925093 5.101656 0.000000\n0.000000 3.241204 9.692193\nTm Sb Pb O\n2 2 4 12\ndirect\n0.757052 0.242948 0.250000 Tm\n0.242948 0.757052 0.750000 Tm\n0.500000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 Sb\n0.108535 0.629832 0.125407 Pb\n0.370168 0.891465 0.374593 Pb\n0.891465 0.370168 0.874593 Pb\n0.629832 0.108535 0.625407 Pb\n0.636799 0.673294 0.618426 O\n0.326706 0.363201 0.881574 O\n0.363201 0.326706 0.381574 O\n0.673294 0.636799 0.118426 O\n0.816095 0.881891 0.848510 O\n0.118109 0.183905 0.651490 O\n0.183905 0.118109 0.151490 O\n0.881891 0.816095 0.348510 O\n0.690314 0.117437 0.083044 O\n0.882563 0.309686 0.416956 O\n0.309686 0.882563 0.916956 O\n0.117437 0.690314 0.583044 O\n",
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{
"id": "mp-1179933",
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"structure_string": "Pr4 Se16 O44\n1.0\n7.271840 0.000000 0.000000\n0.000000 11.077407 0.000000\n0.000000 0.142767 13.483646\nPr Se O\n4 16 44\ndirect\n0.449590 0.050359 0.339980 Pr\n0.949590 0.449641 0.660020 Pr\n0.550410 0.949641 0.660020 Pr\n0.050410 0.550359 0.339980 Pr\n0.509441 0.290031 0.753533 Se\n0.009441 0.209969 0.246467 Se\n0.490559 0.709969 0.246467 Se\n0.990559 0.790031 0.753533 Se\n0.659141 0.173297 0.092357 Se\n0.159141 0.326703 0.907643 Se\n0.340859 0.826703 0.907643 Se\n0.840859 0.673297 0.092357 Se\n0.062408 0.104372 0.704200 Se\n0.562408 0.395628 0.295800 Se\n0.937592 0.895628 0.295800 Se\n0.437592 0.604372 0.704200 Se\n0.294355 0.323902 0.486606 Se\n0.794355 0.176098 0.513394 Se\n0.705645 0.676098 0.513394 Se\n0.205645 0.823902 0.486606 Se\n0.571376 0.145062 0.751897 O\n0.071376 0.354938 0.248103 O\n0.428624 0.854938 0.248103 O\n0.928624 0.645062 0.751897 O\n0.404971 0.307573 0.877658 O\n0.904971 0.192427 0.122342 O\n0.595029 0.692427 0.122342 O\n0.095029 0.807573 0.877658 O\n0.194800 0.122462 0.226752 O\n0.694800 0.377538 0.773248 O\n0.805200 0.877538 0.773248 O\n0.305200 0.622462 0.226752 O\n0.179327 0.378691 0.020622 O\n0.679327 0.121309 0.979378 O\n0.820673 0.621309 0.979378 O\n0.320673 0.878691 0.020622 O\n0.585612 0.069518 0.172868 O\n0.085612 0.430482 0.827132 O\n0.414388 0.930482 0.827132 O\n0.914388 0.569518 0.172868 O\n0.562383 0.305977 0.105084 O\n0.062383 0.194023 0.894916 O\n0.437617 0.694023 0.894916 O\n0.937617 0.805977 0.105084 O\n0.726122 0.482992 0.347549 O\n0.226122 0.017008 0.652451 O\n0.273878 0.517008 0.652451 O\n0.773878 0.982992 0.347549 O\n0.119123 0.247054 0.666833 O\n0.619123 0.252946 0.333167 O\n0.880877 0.752946 0.333167 O\n0.380877 0.747054 0.666833 O\n0.371405 0.430206 0.384619 O\n0.871405 0.069794 0.615381 O\n0.628595 0.569794 0.615381 O\n0.128595 0.930206 0.384619 O\n0.244057 0.197261 0.424339 O\n0.744057 0.302739 0.575661 O\n0.755943 0.802739 0.575661 O\n0.255943 0.697261 0.424339 O\n0.087457 0.397522 0.489401 O\n0.587457 0.102478 0.510599 O\n0.912543 0.602478 0.510599 O\n0.412543 0.897522 0.489401 O\n",
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"formula_full": "Pr4 Se16 O44",
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{
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"structure_string": "Dy4 Zn12\n1.0\n4.387184 0.000000 0.000000\n0.000000 6.690928 0.000000\n0.000000 0.000000 10.099947\nDy Zn\n4 12\ndirect\n0.250000 0.276734 0.661757 Dy\n0.750000 0.723266 0.338243 Dy\n0.250000 0.776734 0.838243 Dy\n0.750000 0.223266 0.161757 Dy\n0.250000 0.538487 0.106761 Zn\n0.750000 0.461513 0.893239 Zn\n0.250000 0.038487 0.393239 Zn\n0.750000 0.961513 0.606761 Zn\n0.750000 0.279328 0.456717 Zn\n0.250000 0.720672 0.543283 Zn\n0.750000 0.779328 0.043283 Zn\n0.250000 0.220672 0.956717 Zn\n0.750000 0.579368 0.645786 Zn\n0.250000 0.420632 0.354214 Zn\n0.750000 0.079368 0.854214 Zn\n0.250000 0.920632 0.145786 Zn\n",
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{
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}