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{
"id": "mp-758941",
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"structure_string": "Li4 Fe2 P8 O24\n1.0\n9.375516 0.000000 0.000000\n0.000000 9.375516 0.000000\n0.000000 0.000000 4.669456\nLi Fe P O\n4 2 8 24\ndirect\n0.250000 0.250000 0.500000 Li\n0.750000 0.250000 0.500000 Li\n0.750000 0.750000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.275874 0.000000 P\n0.775874 0.500000 0.000000 P\n0.224126 0.500000 0.000000 P\n0.000000 0.724126 0.000000 P\n0.500000 0.775874 0.000000 P\n0.275874 0.000000 0.000000 P\n0.724126 0.000000 0.000000 P\n0.500000 0.224126 0.000000 P\n0.570060 0.299740 0.245635 O\n0.429940 0.299740 0.754365 O\n0.115488 0.384512 0.855050 O\n0.884512 0.384512 0.144950 O\n0.299740 0.429940 0.245635 O\n0.700260 0.429940 0.754365 O\n0.700260 0.570060 0.245635 O\n0.299740 0.570060 0.754365 O\n0.115488 0.615488 0.144950 O\n0.884512 0.615488 0.855050 O\n0.429940 0.700260 0.245635 O\n0.570060 0.700260 0.754365 O\n0.929940 0.799740 0.245635 O\n0.070060 0.799740 0.754365 O\n0.384512 0.884512 0.855050 O\n0.615488 0.884512 0.144950 O\n0.200260 0.929940 0.245635 O\n0.799740 0.929940 0.754365 O\n0.799740 0.070060 0.245635 O\n0.200260 0.070060 0.754365 O\n0.384512 0.115488 0.144950 O\n0.615488 0.115488 0.855050 O\n0.929940 0.200260 0.754365 O\n0.070060 0.200260 0.245635 O\n",
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{
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"structure_string": "K6 Pd3 Br4 Cl8\n1.0\n5.100859 -15.676766 0.000000\n5.100859 15.676766 0.000000\n0.000000 0.000000 4.273496\nK Pd Br Cl\n6 3 4 8\ndirect\n0.335964 0.163723 0.500000 K\n0.666339 0.832963 0.500000 K\n0.002685 0.496264 0.500000 K\n0.163723 0.335964 0.500000 K\n0.496264 0.002685 0.500000 K\n0.832963 0.666339 0.500000 K\n0.000517 0.000517 0.000000 Pd\n0.330635 0.664533 0.000000 Pd\n0.664533 0.330635 0.000000 Pd\n0.243013 0.243013 0.000000 Br\n0.572628 0.906945 0.000000 Br\n0.906945 0.572628 0.000000 Br\n0.757055 0.757055 0.000000 Br\n0.100080 0.433724 0.000000 Cl\n0.433724 0.100080 0.000000 Cl\n0.590280 0.405269 0.000000 Cl\n0.925999 0.075220 0.000000 Cl\n0.256616 0.739545 0.000000 Cl\n0.405269 0.590280 0.000000 Cl\n0.739545 0.256616 0.000000 Cl\n0.075220 0.925999 0.000000 Cl\n",
"nsites": 21,
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"formula_full": "K6 Pd3 Br4 Cl8",
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{
"id": "mp-756996",
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"structure_string": "Li2 V4 F14\n1.0\n-3.562851 3.769138 5.375200\n3.562851 -3.769138 5.375200\n3.562851 3.769138 -5.375200\nLi V F\n2 4 14\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 V\n0.500000 0.000000 0.000000 V\n0.000000 0.500000 0.500000 V\n0.500000 0.000000 0.500000 V\n0.049885 0.294363 0.244478 F\n0.181373 0.942633 0.366211 F\n0.576422 0.942633 0.761261 F\n0.549885 0.305407 0.755522 F\n0.250000 0.094536 0.844536 F\n0.681373 0.315161 0.238739 F\n0.076422 0.315161 0.633789 F\n0.923578 0.684839 0.366211 F\n0.318627 0.684839 0.761261 F\n0.750000 0.905464 0.155464 F\n0.450115 0.694593 0.244478 F\n0.423578 0.057367 0.238739 F\n0.818627 0.057367 0.633789 F\n0.950115 0.705637 0.755522 F\n",
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{
"id": "mp-1030968",
"created_at": "2022-09-04T14:39:49.405750Z",
"structure_string": "K1 Hf1 Mg6 O7\n1.0\n8.675690 0.000000 0.000000\n0.000000 4.529265 0.000000\n0.000000 0.000000 4.529265\nK Hf Mg O\n1 1 6 7\ndirect\n0.029216 0.000000 -0.000000 K\n0.494479 0.000000 -0.000000 Hf\n0.995980 0.500000 0.500000 Mg\n0.497036 0.500000 0.500000 Mg\n0.239104 0.000000 0.500000 Mg\n0.764467 0.000000 0.500000 Mg\n0.239104 0.500000 0.000000 Mg\n0.764467 0.500000 -0.000000 Mg\n0.730976 0.000000 -0.000000 O\n0.250437 0.500000 0.500000 O\n0.744225 0.500000 0.500000 O\n0.994574 0.000000 0.500000 O\n0.505680 0.000000 0.500000 O\n0.994574 0.500000 -0.000000 O\n0.505680 0.500000 -0.000000 O\n",
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"density": 4.435694910730997,
"density_atomic": 0.08428140582095354,
"volume": 177.9751993205456,
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"formula_full": "K1 Hf1 Mg6 O7",
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{
"id": "mp-557154",
"created_at": "2022-09-04T14:39:49.335860Z",
"structure_string": "Na16 Ga16 O32\n1.0\n5.398047 0.000000 0.000000\n0.000000 10.782527 0.000000\n0.000000 0.000000 14.909757\nNa Ga O\n16 16 32\ndirect\n0.280149 0.484222 0.436939 Na\n0.185376 0.726842 0.810456 Na\n0.219851 0.515778 0.936939 Na\n0.185376 0.773158 0.310456 Na\n0.280149 0.015778 0.936939 Na\n0.814624 0.273158 0.189544 Na\n0.780149 0.015778 0.563061 Na\n0.719851 0.515778 0.563061 Na\n0.780149 0.484222 0.063061 Na\n0.314624 0.273158 0.310456 Na\n0.719851 0.984222 0.063061 Na\n0.814624 0.226842 0.689544 Na\n0.685376 0.726842 0.689544 Na\n0.219851 0.984222 0.436939 Na\n0.685376 0.773158 0.189544 Na\n0.314624 0.226842 0.810456 Na\n0.195758 0.722603 0.562091 Ga\n0.195758 0.777397 0.062091 Ga\n0.803309 0.524590 0.312897 Ga\n0.695758 0.777397 0.437909 Ga\n0.696691 0.024590 0.312897 Ga\n0.196691 0.024590 0.187103 Ga\n0.695758 0.722603 0.937909 Ga\n0.804242 0.277397 0.437909 Ga\n0.696691 0.475410 0.812897 Ga\n0.803309 0.975410 0.812897 Ga\n0.196691 0.475410 0.687103 Ga\n0.303309 0.524590 0.187103 Ga\n0.304242 0.277397 0.062091 Ga\n0.303309 0.975410 0.687103 Ga\n0.304242 0.222603 0.562091 Ga\n0.804242 0.222603 0.937909 Ga\n0.276880 0.804680 0.668319 O\n0.133428 0.020533 0.791074 O\n0.366572 0.520533 0.791074 O\n0.866572 0.520533 0.708926 O\n0.792990 0.942836 0.417649 O\n0.633428 0.479467 0.208926 O\n0.207010 0.442836 0.082351 O\n0.352100 0.727729 0.956423 O\n0.792990 0.557164 0.917649 O\n0.366572 0.979467 0.291074 O\n0.852100 0.772271 0.043577 O\n0.647900 0.272271 0.043577 O\n0.647900 0.227729 0.543577 O\n0.223120 0.195320 0.168319 O\n0.707010 0.057164 0.917649 O\n0.707010 0.442836 0.417649 O\n0.852100 0.727729 0.543577 O\n0.633428 0.020533 0.708926 O\n0.276880 0.695320 0.168319 O\n0.776880 0.804680 0.831681 O\n0.723120 0.195320 0.331681 O\n0.207010 0.057164 0.582351 O\n0.352100 0.772271 0.456423 O\n0.147900 0.272271 0.456423 O\n0.292990 0.942836 0.082351 O\n0.147900 0.227729 0.956423 O\n0.133428 0.479467 0.291074 O\n0.776880 0.695320 0.331681 O\n0.866572 0.979467 0.208926 O\n0.723120 0.304680 0.831681 O\n0.223120 0.304680 0.668319 O\n0.292990 0.557164 0.582351 O\n",
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{
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"structure_string": "Ba1 Ca1 Ce1 Zr1 O6\n1.0\n0.000000 -4.326130 -4.326130\n4.326130 -0.000000 -4.326130\n4.326130 -4.326130 0.000000\nBa Ca Ce Zr O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ca\n-0.000000 -0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Zr\n0.743289 0.256711 0.256711 O\n0.256711 0.743289 0.743289 O\n0.743289 0.256711 0.743289 O\n0.256711 0.743289 0.256711 O\n0.743289 0.743289 0.256711 O\n0.256711 0.256711 0.743289 O\n",
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{
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{
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{
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