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{
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{
"id": "mp-721238",
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"structure_string": "Li20 Sn2 P4 O24\n1.0\n6.836847 0.000000 0.000000\n-0.085102 7.511378 0.000000\n-0.053065 -0.017362 10.995236\nLi Sn P O\n20 2 4 24\ndirect\n0.459862 0.937300 0.904266 Li\n0.444023 0.922244 0.430183 Li\n0.048798 0.572342 0.542276 Li\n0.018712 0.452940 0.063514 Li\n0.699403 0.354701 0.195705 Li\n0.341361 0.609024 0.254249 Li\n0.045159 0.082442 0.768575 Li\n0.237278 0.218896 0.304356 Li\n0.778033 0.768974 0.348481 Li\n0.507342 0.483721 0.758842 Li\n0.691123 0.218887 0.390709 Li\n0.762504 0.807703 0.896717 Li\n0.261527 0.210023 0.979332 Li\n0.877851 0.756448 0.097775 Li\n0.267312 0.771447 0.656608 Li\n0.755525 0.170807 0.932316 Li\n0.234949 0.747011 0.996689 Li\n0.259331 0.297972 0.565518 Li\n0.757002 0.750023 0.631223 Li\n0.768746 0.317860 0.604527 Li\n0.519416 0.980820 0.161586 Sn\n0.015838 0.494412 0.802996 Sn\n0.010166 0.011871 0.503481 P\n0.511707 0.514161 0.999507 P\n0.512829 0.023930 0.685294 P\n0.998317 0.481863 0.320766 P\n0.828479 0.007625 0.418815 O\n0.201744 0.047355 0.433663 O\n0.514745 0.335069 0.927989 O\n0.501529 0.669871 0.904623 O\n0.321552 0.522337 0.078388 O\n0.696795 0.533444 0.080545 O\n0.992168 0.164679 0.600254 O\n0.017542 0.827155 0.571121 O\n0.735258 0.962859 0.042200 O\n0.299319 0.980027 0.044247 O\n0.522428 0.202514 0.614890 O\n0.517679 0.862274 0.594938 O\n0.191338 0.459669 0.396348 O\n0.820080 0.474555 0.409863 O\n0.017419 0.271866 0.900278 O\n0.998989 0.683556 0.927833 O\n0.317607 0.002821 0.756853 O\n0.684916 0.002279 0.779012 O\n0.518935 0.793485 0.287897 O\n0.511175 0.203611 0.260132 O\n0.781160 0.523443 0.697902 O\n0.230205 0.515812 0.680323 O\n0.004664 0.664627 0.253981 O\n0.983058 0.328642 0.225614 O\n",
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"formula_full": "Li20 Sn2 P4 O24",
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},
{
"id": "mp-1200599",
"created_at": "2022-09-04T14:41:13.251158Z",
"structure_string": "Na4 Al12 P8 O56\n1.0\n7.166496 0.000000 0.000000\n0.000000 7.166496 0.000000\n0.000000 0.000000 19.392317\nNa Al P O\n4 12 8 56\ndirect\n0.883658 0.116342 0.250000 Na\n0.116342 0.883658 0.750000 Na\n0.616342 0.616342 0.000000 Na\n0.383658 0.383658 0.500000 Na\n0.903897 0.395772 0.485414 Al\n0.096103 0.604228 0.985414 Al\n0.895772 0.596103 0.235414 Al\n0.104228 0.403897 0.735414 Al\n0.604228 0.096103 0.014586 Al\n0.395772 0.903897 0.514586 Al\n0.596103 0.895772 0.764586 Al\n0.403897 0.104228 0.264586 Al\n0.613985 0.386015 0.750000 Al\n0.386015 0.613985 0.250000 Al\n0.886015 0.886015 0.500000 Al\n0.113985 0.113986 0.000000 Al\n0.636648 0.132599 0.403918 P\n0.363352 0.867401 0.903918 P\n0.632599 0.863352 0.153918 P\n0.367401 0.136648 0.653918 P\n0.867401 0.363352 0.096082 P\n0.132599 0.636648 0.596082 P\n0.863352 0.632599 0.846082 P\n0.136648 0.367401 0.346082 P\n0.460402 0.074373 0.444176 O\n0.539598 0.925627 0.944176 O\n0.574373 0.039598 0.194176 O\n0.425627 0.960402 0.694176 O\n0.925627 0.539598 0.055824 O\n0.074373 0.460402 0.555824 O\n0.039598 0.574373 0.805824 O\n0.960402 0.425627 0.305824 O\n0.806091 0.998399 0.416167 O\n0.193909 0.001601 0.916167 O\n0.498399 0.693909 0.166167 O\n0.501601 0.306091 0.666167 O\n0.001601 0.193909 0.083833 O\n0.998399 0.806091 0.583833 O\n0.693909 0.498399 0.833833 O\n0.306091 0.501601 0.333833 O\n0.695712 0.330747 0.428550 O\n0.304288 0.669253 0.928550 O\n0.830747 0.804288 0.178550 O\n0.169253 0.195712 0.678550 O\n0.669253 0.304288 0.071450 O\n0.330747 0.695712 0.571450 O\n0.804288 0.830747 0.821450 O\n0.195712 0.169253 0.321450 O\n0.600095 0.136187 0.325973 O\n0.399905 0.863813 0.825973 O\n0.636187 0.899905 0.075973 O\n0.363813 0.100095 0.575973 O\n0.863813 0.399905 0.174027 O\n0.136187 0.600095 0.674027 O\n0.899905 0.636187 0.924027 O\n0.100095 0.363813 0.424027 O\n0.632374 0.147380 0.786048 O\n0.367626 0.852620 0.286048 O\n0.647380 0.867626 0.536048 O\n0.352620 0.132374 0.036048 O\n0.852620 0.367626 0.713952 O\n0.147380 0.632374 0.213952 O\n0.867626 0.647380 0.463952 O\n0.132374 0.352620 0.963952 O\n0.699755 0.474988 0.541293 O\n0.300245 0.525012 0.041293 O\n0.974988 0.800245 0.291293 O\n0.025012 0.199755 0.791293 O\n0.525012 0.300245 0.958707 O\n0.474988 0.699755 0.458707 O\n0.800245 0.974988 0.708707 O\n0.199755 0.025012 0.208707 O\n0.897786 0.144458 0.517232 O\n0.102214 0.855542 0.017232 O\n0.644458 0.602214 0.267232 O\n0.355542 0.397786 0.767232 O\n0.855542 0.102214 0.982768 O\n0.144458 0.897786 0.482768 O\n0.602214 0.644458 0.732768 O\n0.397786 0.355542 0.232768 O\n",
"nsites": 80,
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"elements": [
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],
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"formula_full": "Na4 Al12 P8 O56",
"formula_reduced": "NaAl3(PO7)2",
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"updated_at": "2021-11-28T01:35:16.791000Z",
"spacegroup": 92
},
{
"id": "mp-1097725",
"created_at": "2022-09-04T14:40:54.454135Z",
"structure_string": "Li1 O2\n1.0\n0.000000 2.316721 2.316721\n2.316721 0.000000 2.316721\n2.316721 2.316721 0.000000\nLi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 O\n0.750000 0.750000 0.750000 O\n",
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"elements": [
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"formula_full": "Li1 O2",
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{
"id": "mp-6854",
"created_at": "2022-09-04T14:46:24.625377Z",
"structure_string": "Cs2 Li1 Mn1 C6 N6\n1.0\n0.000000 5.365723 5.365723\n5.365723 0.000000 5.365723\n5.365723 5.365723 0.000000\nCs Li Mn C N\n2 1 1 6 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mn\n0.817463 0.817463 0.182537 C\n0.182537 0.182537 0.817463 C\n0.817463 0.182537 0.817463 C\n0.182537 0.817463 0.182537 C\n0.182537 0.817463 0.817463 C\n0.817463 0.182537 0.182537 C\n0.707725 0.707725 0.292275 N\n0.707725 0.292275 0.707725 N\n0.292275 0.292275 0.707725 N\n0.292275 0.707725 0.292275 N\n0.292275 0.707725 0.707725 N\n0.707725 0.292275 0.292275 N\n",
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"C",
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],
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"formula_full": "Cs2 Li1 Mn1 C6 N6",
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{
"id": "mp-12040",
"created_at": "2022-09-04T14:47:26.242014Z",
"structure_string": "K40 Fe8 O32\n1.0\n6.788069 0.000000 0.000000\n0.000000 11.530012 0.000000\n0.000000 0.000000 20.584009\nK Fe O\n40 8 32\ndirect\n0.075666 0.352917 0.999101 K\n0.416113 0.063689 0.434208 K\n0.583887 0.436311 0.934208 K\n0.083887 0.563689 0.565792 K\n0.083887 0.063689 0.934208 K\n0.583887 0.936311 0.565792 K\n0.416113 0.563689 0.065792 K\n0.916113 0.436311 0.434208 K\n0.926489 0.702837 0.365357 K\n0.426489 0.297163 0.134643 K\n0.573511 0.202837 0.634643 K\n0.073511 0.797163 0.865357 K\n0.073511 0.297163 0.634643 K\n0.573511 0.702837 0.865357 K\n0.426489 0.797163 0.365357 K\n0.926489 0.202837 0.134643 K\n0.610027 0.083775 0.247867 K\n0.110027 0.916225 0.252133 K\n0.889973 0.583775 0.752133 K\n0.389973 0.416225 0.747867 K\n0.389973 0.916225 0.752133 K\n0.889973 0.083775 0.747867 K\n0.110027 0.416225 0.247867 K\n0.610027 0.583775 0.252133 K\n0.606038 0.828167 0.174601 K\n0.424334 0.852917 0.000899 K\n0.575666 0.647083 0.500899 K\n0.916113 0.936311 0.065792 K\n0.075666 0.852917 0.500899 K\n0.575666 0.147083 0.999101 K\n0.424334 0.352917 0.499101 K\n0.924334 0.647083 0.000899 K\n0.606038 0.328167 0.325399 K\n0.106038 0.671833 0.174601 K\n0.893962 0.828167 0.674601 K\n0.393962 0.171833 0.825399 K\n0.393962 0.671833 0.674601 K\n0.893962 0.328167 0.825399 K\n0.106038 0.171833 0.325399 K\n0.924334 0.147083 0.499101 K\n0.821823 0.464417 0.124502 Fe\n0.321823 0.535583 0.375498 Fe\n0.678177 0.964417 0.875498 Fe\n0.178177 0.035583 0.624502 Fe\n0.178177 0.535583 0.875498 Fe\n0.678177 0.464417 0.624502 Fe\n0.321823 0.035583 0.124502 Fe\n0.821823 0.964417 0.375498 Fe\n0.745224 0.126673 0.371885 O\n0.245224 0.873327 0.128115 O\n0.754776 0.626673 0.628115 O\n0.254776 0.373327 0.871885 O\n0.254776 0.873327 0.628115 O\n0.754776 0.126673 0.871885 O\n0.245224 0.373327 0.371885 O\n0.745224 0.626673 0.128115 O\n0.740280 0.384671 0.203586 O\n0.240280 0.615329 0.296414 O\n0.759720 0.884671 0.796414 O\n0.259720 0.115329 0.703586 O\n0.259720 0.615329 0.796414 O\n0.759720 0.384671 0.703586 O\n0.240280 0.115329 0.203586 O\n0.740280 0.884671 0.296414 O\n0.704253 0.385382 0.051494 O\n0.204253 0.614618 0.448506 O\n0.795747 0.885382 0.948506 O\n0.295747 0.114618 0.551494 O\n0.295747 0.614618 0.948506 O\n0.795747 0.385382 0.551494 O\n0.204253 0.114618 0.051494 O\n0.704253 0.885382 0.448506 O\n0.605099 0.044037 0.117440 O\n0.105099 0.955963 0.382560 O\n0.894901 0.544037 0.882560 O\n0.394901 0.455963 0.617440 O\n0.394901 0.955963 0.882560 O\n0.894901 0.044037 0.617440 O\n0.105099 0.455963 0.117440 O\n0.605099 0.544037 0.382560 O\n",
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{
"id": "mp-974948",
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"structure_string": "Rb3 In1\n1.0\n6.189033 0.000000 0.000000\n0.000000 6.189033 0.000000\n0.000000 0.000000 6.189033\nRb In\n3 1\ndirect\n0.000000 0.500000 0.500000 Rb\n0.500000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.000000 0.000000 0.000000 In\n",
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{
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"structure_string": "Cr4 O10\n1.0\n11.093942 0.000000 0.000000\n0.000000 5.861146 -1.806982\n0.000000 0.000000 3.613964\nCr O\n4 10\ndirect\n0.151131 0.906258 0.953129 Cr\n0.348869 0.093742 0.546871 Cr\n0.651131 0.093742 0.546871 Cr\n0.848869 0.906258 0.953129 Cr\n0.000000 0.021886 0.010943 O\n0.141005 0.637762 0.818882 O\n0.181354 0.995622 0.497811 O\n0.318646 0.004376 0.002188 O\n0.358995 0.362238 0.681118 O\n0.500000 0.978114 0.489057 O\n0.641005 0.362238 0.681118 O\n0.858995 0.637762 0.818882 O\n0.681354 0.004376 0.002188 O\n0.818646 0.995622 0.497811 O\n",
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{
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"structure_string": "Hf1 Mg14 B1\n1.0\n6.353455 0.225894 0.000000\n-2.981098 5.163413 0.000000\n0.000000 0.000000 10.101420\nHf Mg B\n1 14 1\ndirect\n0.126405 0.813202 0.125000 Hf\n0.155927 0.327963 0.625000 Mg\n0.164835 0.832417 0.625000 Mg\n0.611557 0.320060 0.125000 Mg\n0.662229 0.326406 0.625000 Mg\n0.611557 0.791496 0.125000 Mg\n0.662229 0.835822 0.625000 Mg\n0.338387 0.167098 0.369823 Mg\n0.338387 0.167098 0.880177 Mg\n0.338387 0.671290 0.369823 Mg\n0.338387 0.671290 0.880177 Mg\n0.884458 0.192229 0.326076 Mg\n0.884458 0.192229 0.923924 Mg\n0.835697 0.667849 0.377728 Mg\n0.835697 0.667849 0.872272 Mg\n0.211404 0.355701 0.125000 B\n",
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