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{
"id": "mp-1210393",
"created_at": "2022-09-04T14:41:21.303211Z",
"structure_string": "Na8 Co8 P24 O72\n1.0\n-7.388215 7.388215 7.388215\n7.388215 -7.388215 7.388215\n7.388215 7.388215 -7.388215\nNa Co P O\n8 8 24 72\ndirect\n0.219562 0.219562 0.219562 Na\n0.280438 0.500000 0.000000 Na\n0.000000 0.280438 0.500000 Na\n0.719562 0.719562 0.719562 Na\n0.500000 0.000000 0.280438 Na\n0.780438 0.500000 0.000000 Na\n0.500000 0.000000 0.780438 Na\n0.000000 0.780438 0.500000 Na\n0.469798 0.469798 0.469798 Co\n0.030202 0.500000 0.000000 Co\n0.000000 0.030202 0.500000 Co\n0.969798 0.969798 0.969798 Co\n0.500000 0.000000 0.030202 Co\n0.530202 0.500000 0.000000 Co\n0.500000 0.000000 0.530202 Co\n0.000000 0.530202 0.500000 Co\n0.005095 0.219485 0.941977 P\n0.494905 0.436882 0.214390 P\n0.722491 0.280515 0.285610 P\n0.219485 0.941977 0.005095 P\n0.505095 0.441977 0.719485 P\n0.777509 0.063118 0.558023 P\n0.436882 0.214390 0.494905 P\n0.994905 0.714390 0.936882 P\n0.280515 0.285610 0.722491 P\n0.222491 0.785610 0.780515 P\n0.063118 0.558023 0.777509 P\n0.277509 0.058023 0.563118 P\n0.941977 0.005095 0.219485 P\n0.719485 0.505095 0.441977 P\n0.285610 0.722491 0.280515 P\n0.780515 0.222491 0.785610 P\n0.558023 0.777509 0.063118 P\n0.563118 0.277509 0.058023 P\n0.214390 0.494905 0.436882 P\n0.936882 0.994905 0.714390 P\n0.441977 0.719485 0.505095 P\n0.714390 0.936882 0.994905 P\n0.058023 0.563118 0.277509 P\n0.785610 0.780515 0.222491 P\n0.085629 0.359729 0.993033 O\n0.414371 0.407405 0.274100 O\n0.633305 0.140271 0.225900 O\n0.359729 0.993033 0.085629 O\n0.585629 0.493033 0.859729 O\n0.866695 0.092595 0.506967 O\n0.407405 0.274100 0.414371 O\n0.914371 0.774100 0.907405 O\n0.140271 0.225900 0.633305 O\n0.133305 0.725900 0.640271 O\n0.092595 0.506967 0.866695 O\n0.366695 0.006967 0.592595 O\n0.993033 0.085629 0.359729 O\n0.859729 0.585629 0.493033 O\n0.225900 0.633305 0.140271 O\n0.640271 0.133305 0.725900 O\n0.506967 0.866695 0.092595 O\n0.592595 0.366695 0.006967 O\n0.274100 0.414371 0.407405 O\n0.907405 0.914371 0.774100 O\n0.493033 0.859729 0.585629 O\n0.774100 0.907405 0.914371 O\n0.006967 0.592595 0.366695 O\n0.725900 0.640271 0.133305 O\n0.020009 0.145223 0.821787 O\n0.479991 0.301779 0.125215 O\n0.676564 0.354777 0.374785 O\n0.145223 0.821787 0.020009 O\n0.520009 0.321787 0.645223 O\n0.823436 0.198221 0.678213 O\n0.301779 0.125215 0.479991 O\n0.979991 0.625215 0.801779 O\n0.354777 0.374785 0.676564 O\n0.176564 0.874785 0.854777 O\n0.198221 0.678213 0.823436 O\n0.323436 0.178213 0.698221 O\n0.821787 0.020009 0.145223 O\n0.645223 0.520009 0.321787 O\n0.374785 0.676564 0.354777 O\n0.854777 0.176564 0.874785 O\n0.678213 0.823436 0.198221 O\n0.698221 0.323436 0.178213 O\n0.125215 0.479991 0.301779 O\n0.801779 0.979991 0.625215 O\n0.321787 0.645223 0.520009 O\n0.625215 0.801779 0.979991 O\n0.178213 0.698221 0.323436 O\n0.874785 0.854777 0.176564 O\n0.165424 0.029373 0.028093 O\n0.334576 0.362669 0.863949 O\n0.998720 0.470627 0.636051 O\n0.029373 0.028093 0.165424 O\n0.665424 0.528093 0.529373 O\n0.501280 0.137331 0.471907 O\n0.362669 0.863949 0.334576 O\n0.834576 0.363949 0.862669 O\n0.470627 0.636051 0.998720 O\n0.498720 0.136051 0.970627 O\n0.137331 0.471907 0.501280 O\n0.001280 0.971907 0.637331 O\n0.028093 0.165424 0.029373 O\n0.529373 0.665424 0.528093 O\n0.636051 0.998720 0.470627 O\n0.970627 0.498720 0.136051 O\n0.471907 0.501280 0.137331 O\n0.637331 0.001280 0.971907 O\n0.863949 0.334576 0.362669 O\n0.862669 0.834576 0.363949 O\n0.528093 0.529373 0.665424 O\n0.363949 0.862669 0.834576 O\n0.971907 0.637331 0.001280 O\n0.136051 0.970627 0.498720 O\n",
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"spacegroup": 220
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{
"id": "mp-1234262",
"created_at": "2022-09-04T14:41:21.336458Z",
"structure_string": "Ba6 Mg1 Sc2 C2 O6 F14\n1.0\n6.291920 0.000000 0.000000\n0.000000 8.998901 -1.365099\n0.000000 0.042796 9.124442\nBa Mg Sc C O F\n6 1 2 2 6 14\ndirect\n0.250000 0.863666 0.651865 Ba\n0.750000 0.601475 0.839174 Ba\n0.250000 0.394356 0.160571 Ba\n0.750000 0.096964 0.906547 Ba\n0.250000 0.908734 0.115223 Ba\n0.750000 0.164626 0.390657 Ba\n0.750000 0.862363 0.562475 Mg\n0.250000 0.285734 0.726034 Sc\n0.750000 0.722505 0.246561 Sc\n0.250000 0.485431 0.536516 C\n0.750000 0.509432 0.439671 C\n0.250000 0.583256 0.449600 O\n0.750000 0.655378 0.458918 O\n0.250000 0.521946 0.682417 O\n0.250000 0.342680 0.488285 O\n0.750000 0.440489 0.551380 O\n0.750000 0.446283 0.302805 O\n0.491935 0.157029 0.159462 F\n0.250000 0.114484 0.867674 F\n0.750000 0.891478 0.129154 F\n0.483030 0.832513 0.884340 F\n0.484295 0.147731 0.631707 F\n0.506410 0.636077 0.120480 F\n0.014249 0.365533 0.884612 F\n0.485751 0.365533 0.884612 F\n0.015705 0.147731 0.631707 F\n0.966811 0.876191 0.377350 F\n0.016970 0.832513 0.884340 F\n0.008065 0.157029 0.159462 F\n0.993590 0.636077 0.120480 F\n0.533189 0.876191 0.377350 F\n",
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"formula_full": "Ba6 Mg1 Sc2 C2 O6 F14",
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"spacegroup": 6
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{
"id": "mp-976106",
"created_at": "2022-09-04T14:41:21.359572Z",
"structure_string": "Hf3 Tl1\n1.0\n-2.170357 2.170357 4.726900\n2.170357 -2.170357 4.726900\n2.170357 2.170357 -4.726900\nHf Tl\n3 1\ndirect\n0.750000 0.250000 0.500000 Hf\n0.250000 0.750000 0.500000 Hf\n0.500000 0.500000 0.000000 Hf\n0.000000 0.000000 0.000000 Tl\n",
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{
"id": "mp-1203161",
"created_at": "2022-09-04T14:41:21.389081Z",
"structure_string": "Ca20 Si10 Cl4 O40\n1.0\n9.386137 3.864519 0.000000\n-9.386137 3.864519 0.000000\n0.000000 3.731125 15.181704\nCa Si Cl O\n20 10 4 40\ndirect\n0.137343 0.343582 0.250426 Ca\n0.656418 0.862657 0.249574 Ca\n0.862657 0.656418 0.749574 Ca\n0.343582 0.137343 0.750426 Ca\n0.375260 0.481506 0.882424 Ca\n0.518494 0.624740 0.617576 Ca\n0.624740 0.518494 0.117576 Ca\n0.481506 0.375260 0.382424 Ca\n0.119102 0.032372 0.096516 Ca\n0.967628 0.880898 0.403484 Ca\n0.880898 0.967628 0.903484 Ca\n0.032372 0.119102 0.596516 Ca\n0.548776 0.094598 0.099839 Ca\n0.905402 0.451224 0.400161 Ca\n0.451224 0.905402 0.900161 Ca\n0.094598 0.548776 0.599839 Ca\n0.069898 0.598458 0.105207 Ca\n0.401542 0.930102 0.394793 Ca\n0.930102 0.401542 0.894793 Ca\n0.598458 0.069898 0.605207 Ca\n0.986056 0.750648 0.938457 Si\n0.249352 0.013944 0.561543 Si\n0.013944 0.249352 0.061543 Si\n0.750648 0.986056 0.438457 Si\n0.560280 0.328219 0.935869 Si\n0.671781 0.439720 0.564131 Si\n0.439720 0.671781 0.064131 Si\n0.328219 0.560280 0.435869 Si\n0.722520 0.277480 0.250000 Si\n0.277480 0.722520 0.750000 Si\n0.712320 0.806077 0.754515 Cl\n0.193923 0.287680 0.745485 Cl\n0.287680 0.193923 0.245485 Cl\n0.806077 0.712320 0.254515 Cl\n0.203629 0.461818 0.084361 O\n0.538182 0.796371 0.415639 O\n0.796371 0.538182 0.915639 O\n0.461818 0.203629 0.584361 O\n0.495793 0.349054 0.848388 O\n0.650946 0.504207 0.651612 O\n0.504207 0.650946 0.151612 O\n0.349054 0.495793 0.348388 O\n0.572320 0.175747 0.944449 O\n0.824253 0.427680 0.555551 O\n0.427680 0.824253 0.055551 O\n0.175747 0.572320 0.444449 O\n0.621481 0.272908 0.341210 O\n0.727092 0.378519 0.158790 O\n0.378519 0.727092 0.658790 O\n0.272908 0.621481 0.841210 O\n0.446999 0.301776 0.028007 O\n0.698224 0.553001 0.471993 O\n0.553001 0.698224 0.971993 O\n0.301776 0.446999 0.528007 O\n0.913220 0.788342 0.021379 O\n0.211658 0.086780 0.478621 O\n0.086780 0.211658 0.978621 O\n0.788342 0.913220 0.521379 O\n0.900416 0.055803 0.349311 O\n0.944197 0.099583 0.150689 O\n0.099583 0.944197 0.650689 O\n0.055803 0.900417 0.849311 O\n0.949849 0.405389 0.252669 O\n0.594611 0.050151 0.247331 O\n0.050151 0.594611 0.747331 O\n0.405389 0.949849 0.752669 O\n0.727506 0.123602 0.458787 O\n0.876398 0.272494 0.041213 O\n0.272494 0.876398 0.541213 O\n0.123602 0.727506 0.958787 O\n0.211962 0.887888 0.139671 O\n0.112112 0.788038 0.360329 O\n0.788038 0.112112 0.860329 O\n0.887888 0.211962 0.639671 O\n",
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"spacegroup": 15
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{
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"structure_string": "Ba2 U1 Cu1 O6\n1.0\n-2.903851 2.903851 4.566162\n2.903851 -2.903851 4.566162\n2.903851 2.903851 -4.566162\nBa U Cu O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.000000 Cu\n0.742980 0.742980 0.485961 O\n0.742980 0.257020 0.000000 O\n0.257020 0.742980 0.000000 O\n0.257020 0.257020 0.514039 O\n0.223796 0.223796 0.000000 O\n0.776204 0.776204 0.000000 O\n",
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"formula_full": "Ba2 U1 Cu1 O6",
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{
"id": "mp-1100522",
"created_at": "2022-09-04T14:41:21.302487Z",
"structure_string": "Li9 Mn7 O16\n1.0\n5.994601 0.000000 0.000000\n2.501857 7.254287 0.000000\n2.554169 2.694389 6.826428\nLi Mn O\n9 7 16\ndirect\n0.000000 0.500000 0.000000 Li\n0.866793 0.132216 0.122738 Li\n0.247848 0.250161 0.751283 Li\n0.133207 0.867784 0.877262 Li\n0.500000 0.000000 0.500000 Li\n0.378191 0.624929 0.636480 Li\n0.752152 0.749839 0.248717 Li\n0.621809 0.375071 0.363520 Li\n0.500000 0.500000 0.000000 Li\n0.619311 0.874025 0.874461 Mn\n0.131512 0.377551 0.368265 Mn\n0.380689 0.125975 0.125539 Mn\n0.257234 0.747820 0.246007 Mn\n0.000000 0.000000 0.500000 Mn\n0.868488 0.622449 0.631735 Mn\n0.742766 0.252180 0.753993 Mn\n0.585754 0.650925 0.126542 O\n0.491601 0.236024 0.250138 O\n0.878093 0.375309 0.857497 O\n0.755481 0.005528 0.976310 O\n0.084483 0.141838 0.621846 O\n0.005205 0.750322 0.732903 O\n0.373126 0.875461 0.359012 O\n0.252854 0.505721 0.475347 O\n0.414246 0.349075 0.873458 O\n0.244519 0.994472 0.023690 O\n0.626874 0.124539 0.640988 O\n0.508399 0.763976 0.749862 O\n0.915517 0.858162 0.378154 O\n0.747146 0.494279 0.524653 O\n0.121907 0.624691 0.142503 O\n0.994795 0.249678 0.267097 O\n",
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{
"id": "mp-1193584",
"created_at": "2022-09-04T14:41:21.305876Z",
"structure_string": "U8 Fe1 Se17\n1.0\n4.369567 6.954276 0.000000\n-4.369567 6.954276 0.000000\n0.000000 2.112680 10.619673\nU Fe Se\n8 1 17\ndirect\n0.819050 0.300057 0.298756 U\n0.300057 0.819050 0.298756 U\n0.180950 0.699943 0.701244 U\n0.699943 0.180950 0.701244 U\n0.202175 0.202175 0.543307 U\n0.797825 0.797825 0.456693 U\n0.680519 0.680519 0.984643 U\n0.319481 0.319481 0.015357 U\n0.000000 0.000000 0.000000 Fe\n0.819441 0.434311 0.535892 Se\n0.434311 0.819441 0.535892 Se\n0.180559 0.565689 0.464108 Se\n0.565689 0.180559 0.464108 Se\n0.944066 0.324576 0.027414 Se\n0.324576 0.944066 0.027414 Se\n0.055934 0.675424 0.972586 Se\n0.675424 0.055934 0.972586 Se\n0.213544 0.213544 0.276766 Se\n0.786456 0.786456 0.723234 Se\n0.057007 0.057007 0.774590 Se\n0.942993 0.942993 0.225410 Se\n0.300720 0.300720 0.755227 Se\n0.699280 0.699280 0.244773 Se\n0.520729 0.520729 0.829799 Se\n0.479271 0.479271 0.170201 Se\n0.000000 0.000000 0.500000 Se\n",
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