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{
"id": "mp-758573",
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{
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"structure_string": "Ca7 Cu1 Pt2 O12\n1.0\n4.713178 4.626267 0.000000\n-4.713178 4.626267 0.000000\n0.000000 0.119380 6.556306\nCa Cu Pt O\n7 1 2 12\ndirect\n0.111644 0.888356 0.000000 Ca\n0.757301 0.616181 0.367495 Ca\n0.246760 0.390732 0.136399 Ca\n0.904972 0.095028 0.500000 Ca\n0.383819 0.242699 0.632505 Ca\n0.752515 0.247485 0.000000 Ca\n0.609268 0.753240 0.863601 Ca\n0.310652 0.689348 0.500000 Cu\n0.489072 0.003430 0.249643 Pt\n0.996570 0.510928 0.750357 Pt\n0.522472 0.905848 0.543763 O\n0.701018 0.427669 0.697308 O\n0.094152 0.477528 0.456237 O\n0.922922 0.552411 0.050941 O\n0.447589 0.077078 0.949059 O\n0.292529 0.595025 0.793421 O\n0.196209 0.076775 0.312412 O\n0.572331 0.298982 0.302692 O\n0.404975 0.707471 0.206579 O\n0.059676 0.211571 0.817182 O\n0.788429 0.940324 0.182818 O\n0.923225 0.803791 0.687588 O\n",
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"formula_full": "Ca7 Cu1 Pt2 O12",
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},
{
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"created_at": "2022-09-04T14:40:20.465694Z",
"structure_string": "Ba2 Cr1 Bi1 O6\n1.0\n-0.000000 -4.181564 -4.181564\n4.181564 0.000000 -4.181564\n4.181564 -4.181564 -0.000000\nBa Cr Bi O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Cr\n-0.000000 -0.000000 0.000000 Bi\n0.744895 0.255105 0.255105 O\n0.255105 0.744895 0.744895 O\n0.744895 0.255105 0.744895 O\n0.255105 0.744895 0.255105 O\n0.744895 0.744895 0.255105 O\n0.255105 0.255105 0.744895 O\n",
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"formula_full": "Ba2 Cr1 Bi1 O6",
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"formula_anonymous": "ABC2D6",
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},
{
"id": "mp-754224",
"created_at": "2022-09-04T14:40:09.584288Z",
"structure_string": "Ba2 Sr4 I12\n1.0\n7.888207 0.000000 0.000000\n0.000000 7.888207 0.000000\n0.000000 0.000000 15.268682\nBa Sr I\n2 4 12\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.332237 Sr\n0.000000 0.000000 0.667763 Sr\n0.500000 0.500000 0.167763 Sr\n0.500000 0.500000 0.832237 Sr\n0.201655 0.798345 0.173403 I\n0.201655 0.798345 0.826597 I\n0.189461 0.810539 0.500000 I\n0.310539 0.310539 0.000000 I\n0.298345 0.298345 0.326597 I\n0.298345 0.298345 0.673403 I\n0.701655 0.701655 0.326597 I\n0.701655 0.701655 0.673403 I\n0.689461 0.689461 0.000000 I\n0.810539 0.189461 0.500000 I\n0.798345 0.201655 0.173403 I\n0.798345 0.201655 0.826597 I\n",
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"formula_full": "Ba2 Sr4 I12",
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"formula_anonymous": "AB2C6",
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{
"id": "mp-1102696",
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"structure_string": "Ni1 N6 O4\n1.0\n0.035897 0.000000 5.676729\n-4.627276 3.227904 2.124031\n-4.627276 -3.227904 2.124031\nNi N O\n1 6 4\ndirect\n0.000000 0.000000 0.000000 Ni\n0.005569 0.208722 0.208722 N\n0.994431 0.791278 0.791278 N\n0.757797 0.259764 0.856646 N\n0.757797 0.856646 0.259764 N\n0.242203 0.740236 0.143354 N\n0.242203 0.143354 0.740236 N\n0.793546 0.307406 0.307406 O\n0.206454 0.692594 0.692594 O\n0.220631 0.206165 0.206165 O\n0.779369 0.793835 0.793835 O\n",
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],
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"formula_full": "Ni1 N6 O4",
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{
"id": "mp-1209911",
"created_at": "2022-09-04T14:40:16.978366Z",
"structure_string": "Nd4 Sb4 Ir4\n1.0\n4.588026 0.000000 0.000000\n0.000000 7.449788 0.000000\n0.000000 0.000000 8.034727\nNd Sb Ir\n4 4 4\ndirect\n0.250000 0.517099 0.189858 Nd\n0.750000 0.482901 0.810142 Nd\n0.750000 0.982901 0.689858 Nd\n0.250000 0.017099 0.310142 Nd\n0.250000 0.673243 0.586641 Sb\n0.750000 0.326757 0.413359 Sb\n0.750000 0.826757 0.086641 Sb\n0.250000 0.173243 0.913359 Sb\n0.250000 0.797572 0.907099 Ir\n0.750000 0.202428 0.092901 Ir\n0.750000 0.702428 0.407099 Ir\n0.250000 0.297572 0.592901 Ir\n",
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{
"id": "mp-532705",
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"structure_string": "Ca8 Mg5 Fe2 Si16 O48\n1.0\n4.530588 6.166646 0.000000\n-4.530588 6.166646 0.000000\n0.000000 1.149235 16.377605\nCa Mg Fe Si O\n8 5 2 16 48\ndirect\n0.242658 0.757342 0.000000 Ca\n0.765649 0.459329 0.111380 Ca\n0.488893 0.019630 0.244037 Ca\n0.009455 0.736761 0.376626 Ca\n0.735083 0.264917 0.500000 Ca\n0.263239 0.990545 0.623374 Ca\n0.980370 0.511107 0.755963 Ca\n0.540671 0.234351 0.888620 Ca\n0.085720 0.406153 0.250175 Mg\n0.403331 0.345558 0.374611 Mg\n0.343850 0.656150 0.500000 Mg\n0.654442 0.596669 0.625389 Mg\n0.593847 0.914280 0.749825 Mg\n0.146877 0.090711 0.119665 Fe\n0.909289 0.853123 0.880335 Fe\n0.079991 0.393230 0.522375 Si\n0.390539 0.334766 0.647998 Si\n0.327248 0.645186 0.773406 Si\n0.640570 0.592577 0.896103 Si\n0.585856 0.890263 0.024336 Si\n0.892747 0.820218 0.149809 Si\n0.830068 0.137065 0.272564 Si\n0.606770 0.920009 0.477625 Si\n0.143044 0.081278 0.396949 Si\n0.918722 0.856956 0.603051 Si\n0.862935 0.169932 0.727436 Si\n0.179782 0.107253 0.850191 Si\n0.109737 0.414144 0.975664 Si\n0.407423 0.359430 0.103897 Si\n0.354814 0.672752 0.226594 Si\n0.665234 0.609461 0.352002 Si\n0.943691 0.234559 0.207202 O\n0.243829 0.194540 0.333639 O\n0.192178 0.495309 0.459166 O\n0.488447 0.119343 0.663918 O\n0.493212 0.446764 0.584913 O\n0.336056 0.440749 0.736912 O\n0.108221 0.735544 0.790722 O\n0.437604 0.750848 0.711065 O\n0.429321 0.603714 0.863528 O\n0.750891 0.382265 0.904435 O\n0.739971 0.713832 0.835160 O\n0.587786 0.683912 0.989404 O\n0.367324 0.990824 0.039884 O\n0.701825 0.976117 0.957227 O\n0.684085 0.843377 0.113632 O\n0.559251 0.663944 0.263088 O\n0.975202 0.603283 0.163988 O\n0.016892 0.919015 0.091434 O\n0.880657 0.511553 0.336082 O\n0.841906 0.927453 0.239072 O\n0.659049 0.815125 0.388389 O\n0.615519 0.235993 0.289278 O\n0.511518 0.135703 0.461254 O\n0.935006 0.091024 0.361709 O\n0.814521 0.909609 0.513283 O\n0.236585 0.865587 0.413703 O\n0.134413 0.763415 0.586297 O\n0.090391 0.185479 0.486717 O\n0.908976 0.064994 0.638291 O\n0.864297 0.488482 0.538746 O\n0.765441 0.056309 0.792798 O\n0.764007 0.384481 0.710722 O\n0.184875 0.340951 0.611611 O\n0.072547 0.158094 0.760928 O\n0.080985 0.983108 0.908566 O\n0.396717 0.024798 0.836012 O\n0.156623 0.315915 0.886368 O\n0.023883 0.298175 0.042773 O\n0.009176 0.632676 0.960116 O\n0.316088 0.412214 0.010596 O\n0.286168 0.260029 0.164840 O\n0.617735 0.249109 0.095565 O\n0.396286 0.570679 0.136472 O\n0.249152 0.562396 0.288935 O\n0.264456 0.891779 0.209278 O\n0.553236 0.506788 0.415087 O\n0.504691 0.807822 0.540834 O\n0.805460 0.756171 0.666361 O\n",
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{
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"structure_string": "Li5 Fe3 Cu2 O10\n1.0\n5.117355 0.000000 0.000000\n-0.891808 5.054455 0.000000\n-1.671307 -2.875543 7.168264\nLi Fe Cu O\n5 3 2 10\ndirect\n0.798304 0.488198 0.414480 Li\n0.606812 0.508699 0.776377 Li\n0.000000 0.000000 0.500000 Li\n0.393188 0.491301 0.223623 Li\n0.201696 0.511802 0.585520 Li\n0.000000 0.500000 0.000000 Fe\n0.801816 0.005042 0.885665 Fe\n0.198184 0.994958 0.114335 Fe\n0.407204 0.006388 0.689524 Cu\n0.592796 0.993612 0.310476 Cu\n0.186656 0.244892 0.861776 O\n0.389861 0.766642 0.945461 O\n0.591186 0.768361 0.544574 O\n0.999803 0.249103 0.232708 O\n0.786435 0.235046 0.661918 O\n0.213565 0.764954 0.338082 O\n0.000197 0.750897 0.767292 O\n0.408814 0.231639 0.455426 O\n0.610139 0.233358 0.054539 O\n0.813344 0.755108 0.138224 O\n",
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{
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"structure_string": "B8 Mo8 Os4\n1.0\n3.077060 0.000000 0.000000\n0.000000 7.605613 0.000000\n0.000000 0.000000 9.649725\nB Mo Os\n8 8 4\ndirect\n0.500000 0.115860 0.460781 B\n0.500000 0.884140 0.539219 B\n0.000000 0.384140 0.960781 B\n0.000000 0.615860 0.039219 B\n0.500000 0.125600 0.267425 B\n0.500000 0.874400 0.732575 B\n0.000000 0.374400 0.767425 B\n0.000000 0.625600 0.232575 B\n0.500000 0.808279 0.130104 Mo\n0.500000 0.191721 0.869896 Mo\n0.000000 0.691721 0.630104 Mo\n0.000000 0.308279 0.369896 Mo\n0.500000 0.573838 0.860435 Mo\n0.500000 0.426162 0.139565 Mo\n0.000000 0.926162 0.360435 Mo\n0.000000 0.073838 0.639565 Mo\n0.500000 0.618664 0.392611 Os\n0.500000 0.381336 0.607389 Os\n0.000000 0.881336 0.892611 Os\n0.000000 0.118664 0.107389 Os\n",
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