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{
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{
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{
"id": "mp-1205698",
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"structure_string": "Sr2 In1 Re1 O6\n1.0\n0.000000 4.104013 4.104013\n4.104013 0.000000 4.104013\n4.104013 4.104013 0.000000\nSr In Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Re\n0.759611 0.240389 0.240389 O\n0.240389 0.759611 0.759611 O\n0.240389 0.759611 0.240389 O\n0.759611 0.240389 0.759611 O\n0.240389 0.240389 0.759611 O\n0.759611 0.759611 0.240389 O\n",
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{
"id": "mp-849512",
"created_at": "2022-09-04T14:41:16.087111Z",
"structure_string": "Na14 V4 O12\n1.0\n2.916218 7.623176 0.000000\n-2.916218 7.623176 0.000000\n0.000000 2.697184 10.351398\nNa V O\n14 4 12\ndirect\n0.302831 0.574250 0.149979 Na\n0.423971 0.237900 0.406425 Na\n0.574250 0.302831 0.649979 Na\n0.812007 0.734948 0.307644 Na\n0.237900 0.423971 0.906425 Na\n0.265052 0.187993 0.192356 Na\n0.734948 0.812007 0.807644 Na\n0.762100 0.576029 0.093575 Na\n0.187993 0.265052 0.692356 Na\n0.425750 0.697169 0.350021 Na\n0.576029 0.762100 0.593575 Na\n0.921959 0.078041 0.250000 Na\n0.697169 0.425750 0.850021 Na\n0.078041 0.921959 0.750000 Na\n0.770902 0.992507 0.035522 V\n0.992507 0.770902 0.535522 V\n0.007493 0.229098 0.464478 V\n0.229098 0.007493 0.964478 V\n0.141811 0.671976 0.374536 O\n0.605821 0.145916 0.189481 O\n0.671976 0.141811 0.874536 O\n0.990916 0.656761 0.084227 O\n0.145916 0.605821 0.689481 O\n0.343239 0.009084 0.415773 O\n0.656761 0.990916 0.584227 O\n0.854084 0.394179 0.310519 O\n0.009084 0.343239 0.915773 O\n0.328024 0.858189 0.125464 O\n0.394179 0.854084 0.810519 O\n0.858189 0.328024 0.625464 O\n",
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"formula_full": "Na14 V4 O12",
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"energy": -167.57279527,
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{
"id": "mp-567414",
"created_at": "2022-09-04T14:41:16.091260Z",
"structure_string": "Bi4 Au4 Cl24\n1.0\n7.692309 0.000000 0.000000\n-3.782771 9.442926 0.000000\n-1.570539 -4.343262 13.580833\nBi Au Cl\n4 4 24\ndirect\n0.596030 0.930541 0.620671 Bi\n0.032021 0.684905 0.128374 Bi\n0.403970 0.069459 0.379329 Bi\n0.967979 0.315095 0.871626 Bi\n0.294148 0.631115 0.765963 Au\n0.500000 0.500000 0.500000 Au\n0.705852 0.368885 0.234037 Au\n0.000000 0.000000 0.000000 Au\n0.775988 0.094783 0.966828 Cl\n0.728391 0.158213 0.257411 Cl\n0.271609 0.841787 0.742589 Cl\n0.768506 0.800023 0.030128 Cl\n0.613146 0.188584 0.741440 Cl\n0.313726 0.416758 0.786784 Cl\n0.686274 0.583242 0.213216 Cl\n0.296855 0.620483 0.497275 Cl\n0.231494 0.199977 0.969872 Cl\n0.758629 0.723814 0.521726 Cl\n0.224012 0.905217 0.033172 Cl\n0.733785 0.049473 0.486311 Cl\n0.609112 0.723953 0.749683 Cl\n0.956684 0.055088 0.725189 Cl\n0.241371 0.276186 0.478274 Cl\n0.386854 0.811416 0.258560 Cl\n0.976451 0.538060 0.781772 Cl\n0.756989 0.434201 0.974846 Cl\n0.243011 0.565799 0.025154 Cl\n0.023549 0.461940 0.218228 Cl\n0.390888 0.276047 0.250317 Cl\n0.266215 0.950527 0.513689 Cl\n0.703145 0.379517 0.502725 Cl\n0.043316 0.944912 0.274811 Cl\n",
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{
"id": "mp-1019091",
"created_at": "2022-09-04T14:41:16.095922Z",
"structure_string": "La2 Se4\n1.0\n4.226958 0.000000 0.000000\n0.000000 4.226958 0.000000\n0.000000 0.000000 8.704299\nLa Se\n2 4\ndirect\n0.000000 0.500000 0.724309 La\n0.500000 0.000000 0.275691 La\n0.000000 0.500000 0.364330 Se\n0.500000 0.000000 0.635670 Se\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.000000 Se\n",
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{
"id": "mp-1173771",
"created_at": "2022-09-04T14:41:16.099252Z",
"structure_string": "Na8 Al6 Si6 Cl2 O32\n1.0\n9.186141 0.000000 0.000000\n-0.011048 9.195620 0.000000\n-0.002164 -0.022561 9.197705\nNa Al Si Cl O\n8 6 6 2 32\ndirect\n0.784947 0.220926 0.213464 Na\n0.218816 0.779193 0.217906 Na\n0.718670 0.711828 0.282890 Na\n0.286059 0.283131 0.285249 Na\n0.274278 0.728374 0.727618 Na\n0.719507 0.278527 0.720530 Na\n0.790766 0.787475 0.790586 Na\n0.217575 0.215048 0.785109 Na\n0.499848 0.750192 0.998727 Al\n0.000266 0.499562 0.251594 Al\n0.750577 0.000238 0.499362 Al\n0.250810 0.999838 0.499121 Al\n0.001440 0.499350 0.750622 Al\n0.501427 0.249367 0.000385 Al\n0.250462 0.499328 0.000818 Si\n0.751812 0.499533 0.001428 Si\n0.500050 0.999517 0.249467 Si\n0.001354 0.249729 0.499825 Si\n0.000180 0.749744 0.502087 Si\n0.501805 0.999826 0.748886 Si\n0.007460 0.017262 0.982875 Cl\n0.512975 0.479829 0.528862 Cl\n0.349661 0.357810 0.042910 O\n0.652009 0.642705 0.039453 O\n0.154133 0.540798 0.145720 O\n0.844419 0.460674 0.148485 O\n0.458041 0.856048 0.152216 O\n0.542685 0.143506 0.153963 O\n0.643112 0.957355 0.346551 O\n0.353023 0.039588 0.342483 O\n0.959798 0.650245 0.360635 O\n0.044264 0.347190 0.357436 O\n0.541572 0.537298 0.383267 O\n0.143789 0.846468 0.457561 O\n0.857390 0.153214 0.455264 O\n0.856689 0.847633 0.540751 O\n0.144713 0.152789 0.540604 O\n0.500179 0.321116 0.520621 O\n0.376827 0.539763 0.583796 O\n0.633380 0.517595 0.626656 O\n0.039864 0.655747 0.647532 O\n0.960493 0.345325 0.644535 O\n0.360226 0.958410 0.648917 O\n0.645972 0.039751 0.653305 O\n0.540081 0.855880 0.845787 O\n0.460472 0.143527 0.846681 O\n0.154490 0.457549 0.857303 O\n0.850921 0.538424 0.860349 O\n0.131978 0.979025 0.885482 O\n0.872110 0.031305 0.895677 O\n0.344191 0.645804 0.962011 O\n0.656115 0.354280 0.962146 O\n0.924202 0.793392 0.056333 O\n0.038914 0.162670 0.050657 O\n",
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{
"id": "mp-569548",
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"structure_string": "Cs2 Au2 Br6\n1.0\n-3.964249 3.964249 5.865177\n3.964249 -3.964249 5.865177\n3.964249 3.964249 -5.865177\nCs Au Br\n2 2 6\ndirect\n0.250000 0.750000 0.500000 Cs\n0.750000 0.250000 0.500000 Cs\n0.000000 0.000000 0.000000 Au\n0.500000 0.500000 0.000000 Au\n0.289936 0.289936 0.000000 Br\n0.224621 0.775379 0.000000 Br\n0.710064 0.710064 0.000000 Br\n0.224621 0.224621 0.449243 Br\n0.775379 0.224621 0.000000 Br\n0.775379 0.775379 0.550757 Br\n",
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{
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"structure_string": "Cu9 Se4 Cl6 O14\n1.0\n6.094067 0.000000 1.683210\n2.865142 7.632200 1.500146\n-0.022935 -0.046219 11.956437\nCu Se Cl O\n9 4 6 14\ndirect\n0.878379 0.149456 0.093787 Cu\n0.289118 0.156497 0.265266 Cu\n0.384452 0.446316 0.784781 Cu\n0.615548 0.553684 0.215219 Cu\n0.500000 0.500000 0.500000 Cu\n0.121621 0.850544 0.906213 Cu\n0.500000 0.500000 0.000000 Cu\n0.710882 0.843503 0.734734 Cu\n0.000000 0.500000 0.000000 Cu\n0.960554 0.273728 0.805164 Se\n0.039446 0.726272 0.194836 Se\n0.254078 0.854085 0.637759 Se\n0.745922 0.145915 0.362241 Se\n0.367119 0.195414 0.070348 Cl\n0.448741 0.741327 0.361191 Cl\n0.632881 0.804586 0.929652 Cl\n0.551259 0.258673 0.638809 Cl\n0.163948 0.225081 0.447023 Cl\n0.836052 0.774919 0.552977 Cl\n0.758611 0.403677 0.079101 O\n0.919385 0.593976 0.154206 O\n0.368511 0.627377 0.635601 O\n0.332432 0.593976 0.154206 O\n0.984156 0.110885 0.920802 O\n0.380883 0.878043 0.745983 O\n0.004909 0.121957 0.254017 O\n0.667568 0.406024 0.845794 O\n0.080615 0.406024 0.845794 O\n0.015844 0.889115 0.079198 O\n0.241389 0.596323 0.920899 O\n0.631489 0.372623 0.364399 O\n0.995091 0.878043 0.745983 O\n0.619117 0.121957 0.254017 O\n",
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}