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{
"id": "mp-1214333",
"created_at": "2022-09-04T14:48:29.234157Z",
"structure_string": "C48 Br8 F32\n1.0\n8.291710 0.000000 0.000000\n0.000000 12.468421 0.000000\n0.000000 2.919487 12.693436\nC Br F\n48 8 32\ndirect\n0.294594 0.673423 0.516347 C\n0.705406 0.326577 0.483653 C\n0.794595 0.326577 0.983653 C\n0.205406 0.673423 0.016347 C\n0.340363 0.572537 0.580861 C\n0.659637 0.427463 0.419139 C\n0.840363 0.427463 0.919139 C\n0.159637 0.572537 0.080861 C\n0.063201 0.524424 0.624711 C\n0.936799 0.475576 0.375289 C\n0.563201 0.475576 0.875289 C\n0.436799 0.524424 0.124711 C\n0.511268 0.818930 0.507650 C\n0.488732 0.181070 0.492350 C\n0.011268 0.181070 0.992350 C\n0.988732 0.818930 0.007650 C\n0.226758 0.497908 0.634711 C\n0.773242 0.502092 0.365289 C\n0.726758 0.502092 0.865289 C\n0.273242 0.497908 0.134711 C\n0.861498 0.901802 0.841524 C\n0.138502 0.098198 0.158476 C\n0.361498 0.098198 0.658476 C\n0.638502 0.901802 0.341524 C\n0.879525 0.893427 0.949617 C\n0.120475 0.106573 0.050383 C\n0.379525 0.106573 0.550383 C\n0.620475 0.893427 0.449617 C\n0.083269 0.751277 0.958155 C\n0.916731 0.248723 0.041845 C\n0.583269 0.248723 0.541845 C\n0.416731 0.751277 0.458155 C\n0.014608 0.625212 0.561924 C\n0.985392 0.374788 0.438076 C\n0.514608 0.374788 0.938076 C\n0.485392 0.625212 0.061924 C\n0.062154 0.760798 0.849750 C\n0.937846 0.239202 0.150250 C\n0.562154 0.239202 0.650250 C\n0.437846 0.760798 0.349750 C\n0.953639 0.835438 0.790982 C\n0.046361 0.164562 0.209018 C\n0.453639 0.164562 0.709018 C\n0.546361 0.835438 0.290982 C\n0.128992 0.698826 0.508076 C\n0.871008 0.301174 0.491924 C\n0.628992 0.301174 0.991924 C\n0.371008 0.698826 0.008076 C\n0.494117 0.810426 0.653698 Br\n0.505883 0.189574 0.346302 Br\n0.994117 0.189574 0.846302 Br\n0.005883 0.810426 0.153698 Br\n0.442313 0.834843 0.926091 Br\n0.557687 0.165157 0.073909 Br\n0.942313 0.165157 0.573909 Br\n0.057687 0.834843 0.426091 Br\n0.754235 0.973458 0.786281 F\n0.245765 0.026542 0.213719 F\n0.254235 0.026542 0.713719 F\n0.745765 0.973458 0.286281 F\n0.273636 0.400489 0.695078 F\n0.726364 0.599511 0.304922 F\n0.773636 0.599511 0.804922 F\n0.226364 0.400489 0.195078 F\n0.855414 0.648270 0.553740 F\n0.144586 0.351730 0.446260 F\n0.355414 0.351730 0.946260 F\n0.644586 0.648270 0.053740 F\n0.786545 0.957562 0.996346 F\n0.213455 0.042438 0.003654 F\n0.286545 0.042438 0.503654 F\n0.713455 0.957562 0.496346 F\n0.997978 0.455323 0.907056 F\n0.002022 0.544677 0.092944 F\n0.497978 0.544677 0.592944 F\n0.502022 0.455323 0.407056 F\n0.451810 0.547617 0.825932 F\n0.548190 0.452383 0.174068 F\n0.951810 0.452383 0.674068 F\n0.048190 0.547617 0.325932 F\n0.149430 0.697159 0.798653 F\n0.850570 0.302841 0.201347 F\n0.649430 0.302841 0.701347 F\n0.350570 0.697159 0.298653 F\n0.938756 0.844819 0.686293 F\n0.061244 0.155181 0.313707 F\n0.438756 0.155181 0.813707 F\n0.561244 0.844819 0.186293 F\n",
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"formula_full": "C48 Br8 F32",
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"spacegroup": 14
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{
"id": "mp-1217751",
"created_at": "2022-09-04T14:48:28.560587Z",
"structure_string": "Tb12 Cu4 Se24\n1.0\n7.779848 0.000000 0.000000\n0.000000 7.114671 0.000000\n0.000000 0.117984 17.110338\nTb Cu Se\n12 4 24\ndirect\n0.939570 0.265655 0.750390 Tb\n0.060430 0.734345 0.249610 Tb\n0.560430 0.265655 0.250390 Tb\n0.439570 0.734345 0.749610 Tb\n0.558023 0.238834 0.588020 Tb\n0.441796 0.768180 0.091115 Tb\n0.941796 0.231820 0.408885 Tb\n0.058023 0.761166 0.911980 Tb\n0.441977 0.761166 0.411980 Tb\n0.558204 0.231820 0.908885 Tb\n0.058204 0.768180 0.591115 Tb\n0.941977 0.238834 0.088020 Tb\n0.210978 0.393725 0.526886 Cu\n0.710978 0.606275 0.973114 Cu\n0.789022 0.606275 0.473114 Cu\n0.289022 0.393725 0.026886 Cu\n0.908893 0.390431 0.581635 Se\n0.092131 0.617527 0.081213 Se\n0.592131 0.382473 0.418787 Se\n0.408893 0.609569 0.918365 Se\n0.091107 0.609569 0.418365 Se\n0.907869 0.382473 0.918787 Se\n0.407869 0.617527 0.581213 Se\n0.591107 0.390431 0.081635 Se\n0.596748 0.381175 0.748925 Se\n0.403252 0.618825 0.251075 Se\n0.903252 0.381175 0.248925 Se\n0.096748 0.618825 0.751075 Se\n0.250004 0.078231 0.679057 Se\n0.750596 0.925067 0.177366 Se\n0.250596 0.074933 0.322634 Se\n0.750004 0.921769 0.820943 Se\n0.749996 0.921769 0.320943 Se\n0.249404 0.074933 0.822634 Se\n0.749404 0.925067 0.677366 Se\n0.249996 0.078231 0.179057 Se\n0.250745 0.063890 0.499269 Se\n0.750745 0.936110 0.000731 Se\n0.749255 0.936110 0.500731 Se\n0.249255 0.063890 0.999269 Se\n",
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"formula_full": "Tb12 Cu4 Se24",
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"spacegroup": 14
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{
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"created_at": "2022-09-04T14:48:29.951147Z",
"structure_string": "Rb1 Pb1 F3\n1.0\n4.861716 0.000000 0.000000\n0.000000 4.861716 0.000000\n0.000000 0.000000 4.861716\nRb Pb F\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.500000 0.500000 0.500000 Pb\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.500000 0.500000 0.000000 F\n",
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{
"id": "mp-1034572",
"created_at": "2022-09-04T14:48:29.767506Z",
"structure_string": "Mg14 V1 Sn1 O16\n1.0\n8.671409 0.000000 0.000000\n0.000000 8.736226 0.000000\n0.000000 0.000000 4.367023\nMg V Sn O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.242214 0.500000 Mg\n0.000000 0.757786 0.500000 Mg\n0.500000 0.248375 0.500000 Mg\n0.500000 0.751625 0.500000 Mg\n0.251815 0.000000 0.500000 Mg\n0.259147 0.500000 0.500000 Mg\n0.748185 0.000000 0.500000 Mg\n0.740853 0.500000 0.500000 Mg\n0.254980 0.246030 0.000000 Mg\n0.254980 0.753970 0.000000 Mg\n0.745020 0.246030 0.000000 Mg\n0.745020 0.753970 0.000000 Mg\n0.000000 0.000000 0.000000 V\n0.000000 0.500000 0.000000 Sn\n0.256721 0.000000 0.000000 O\n0.272712 0.500000 0.000000 O\n0.743279 0.000000 0.000000 O\n0.727288 0.500000 0.000000 O\n0.249712 0.249409 0.500000 O\n0.249712 0.750591 0.500000 O\n0.750288 0.249409 0.500000 O\n0.750288 0.750591 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.235927 0.000000 O\n0.000000 0.764073 0.000000 O\n0.500000 0.245390 0.000000 O\n0.500000 0.754610 0.000000 O\n",
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{
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{
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"structure_string": "K1 Ca1 Nd1 W1 O6\n1.0\n-0.000000 -4.264051 -4.264051\n4.264051 0.000000 -4.264051\n4.264051 -4.264051 0.000000\nK Ca Nd W O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 W\n0.728491 0.271509 0.271509 O\n0.271509 0.728491 0.728491 O\n0.728491 0.271509 0.728491 O\n0.271509 0.728491 0.271509 O\n0.728491 0.728491 0.271509 O\n0.271509 0.271509 0.728491 O\n",
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{
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"structure_string": "Ba32 Ga8 N24 O8\n1.0\n7.987433 0.000000 0.000000\n0.000000 8.025366 0.000000\n0.000000 0.000000 25.011590\nBa Ga N O\n32 8 24 8\ndirect\n0.165991 0.857439 0.436821 Ba\n0.834009 0.357439 0.063179 Ba\n0.334009 0.142561 0.936821 Ba\n0.665991 0.642561 0.563179 Ba\n0.834009 0.142561 0.563179 Ba\n0.165991 0.642561 0.936821 Ba\n0.665991 0.857439 0.063179 Ba\n0.334009 0.357439 0.436821 Ba\n0.357449 0.518938 0.061206 Ba\n0.642551 0.018938 0.438794 Ba\n0.142551 0.481062 0.561206 Ba\n0.857449 0.981062 0.938794 Ba\n0.642551 0.481062 0.938794 Ba\n0.357449 0.981062 0.561206 Ba\n0.857449 0.518938 0.438794 Ba\n0.142551 0.018938 0.061206 Ba\n0.263359 0.953141 0.266457 Ba\n0.736641 0.453141 0.233543 Ba\n0.236641 0.046859 0.766457 Ba\n0.763359 0.546859 0.733543 Ba\n0.736641 0.046859 0.733543 Ba\n0.263359 0.546859 0.766457 Ba\n0.763359 0.953141 0.233543 Ba\n0.236641 0.453141 0.266457 Ba\n0.040533 0.691156 0.149727 Ba\n0.959467 0.191156 0.350273 Ba\n0.459467 0.308844 0.649727 Ba\n0.540533 0.808844 0.850273 Ba\n0.959467 0.308844 0.850273 Ba\n0.040533 0.808844 0.649727 Ba\n0.540533 0.691156 0.350273 Ba\n0.459467 0.191156 0.149727 Ba\n0.484376 0.706300 0.171455 Ga\n0.515624 0.206300 0.328545 Ga\n0.015624 0.293700 0.671455 Ga\n0.984376 0.793700 0.828545 Ga\n0.515624 0.293700 0.828545 Ga\n0.484376 0.793700 0.671455 Ga\n0.984376 0.706300 0.328545 Ga\n0.015624 0.206300 0.171455 Ga\n0.138824 0.574450 0.372332 N\n0.861176 0.074450 0.127668 N\n0.361176 0.425550 0.872332 N\n0.638824 0.925550 0.627668 N\n0.861176 0.425550 0.627668 N\n0.138824 0.925550 0.872332 N\n0.638824 0.574450 0.127668 N\n0.361176 0.074450 0.372332 N\n0.348850 0.860983 0.131949 N\n0.651150 0.360983 0.368051 N\n0.151150 0.139017 0.631949 N\n0.848850 0.639017 0.868051 N\n0.651150 0.139017 0.868051 N\n0.348850 0.639017 0.631949 N\n0.848850 0.860983 0.368051 N\n0.151150 0.360983 0.131949 N\n0.491239 0.691393 0.247219 N\n0.508761 0.191393 0.252781 N\n0.008761 0.308607 0.747219 N\n0.991239 0.808607 0.752781 N\n0.508761 0.308607 0.752781 N\n0.491239 0.808607 0.747219 N\n0.991239 0.691393 0.252781 N\n0.008761 0.191393 0.247219 N\n0.974325 0.768338 0.025338 O\n0.025675 0.268338 0.474662 O\n0.525675 0.231662 0.525338 O\n0.474325 0.731662 0.974662 O\n0.025675 0.231662 0.974662 O\n0.974325 0.731662 0.525338 O\n0.474325 0.768338 0.474662 O\n0.525675 0.268338 0.025338 O\n",
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{
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