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{
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{
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"structure_string": "Mg6 Nb1 Cd1 O8\n1.0\n8.797967 0.000000 0.000000\n0.000000 4.445239 0.000000\n0.000000 0.000000 4.445239\nMg Nb Cd O\n6 1 1 8\ndirect\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.261781 0.000000 0.500000 Mg\n0.738219 0.000000 0.500000 Mg\n0.261781 0.500000 0.000000 Mg\n0.738219 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Nb\n0.000000 0.500000 0.500000 Cd\n0.260814 0.000000 0.000000 O\n0.739186 0.000000 0.000000 O\n0.269479 0.500000 0.500000 O\n0.730521 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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"formula_full": "Ca4 Al2 Pb2 O2 F16",
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{
"id": "mp-1112957",
"created_at": "2022-09-04T14:48:29.799416Z",
"structure_string": "Cs2 Hg1 Sb1 F6\n1.0\n0.000000 4.969942 4.969942\n4.969942 0.000000 4.969942\n4.969942 4.969942 0.000000\nCs Hg Sb F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 Sb\n0.790243 0.209757 0.209757 F\n0.209757 0.209757 0.790243 F\n0.209757 0.790243 0.790243 F\n0.209757 0.790243 0.209757 F\n0.790243 0.209757 0.790243 F\n0.790243 0.790243 0.209757 F\n",
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"volume": 245.518350187114,
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"formula_full": "Cs2 Hg1 Sb1 F6",
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"spacegroup": 225
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{
"id": "mp-1022553",
"created_at": "2022-09-04T14:48:29.800415Z",
"structure_string": "Mg6 Zr1 C1\n1.0\n3.886874 -5.032848 0.000000\n3.886874 5.032848 0.000000\n0.000000 0.000000 4.590093\nMg Zr C\n6 1 1\ndirect\n0.784347 0.607380 0.000000 Mg\n0.392620 0.215653 0.000000 Mg\n0.296569 0.703431 0.000000 Mg\n0.574176 0.878904 0.500000 Mg\n0.121096 0.425824 0.500000 Mg\n0.089612 0.910388 0.500000 Mg\n0.864656 0.135344 0.000000 Zr\n0.876925 0.123075 0.500000 C\n",
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],
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"density": 2.3030083867846463,
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"volume": 179.5832211616183,
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"formula_full": "Mg6 Zr1 C1",
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{
"id": "mp-1205259",
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"structure_string": "Ho8 Ni88 C12\n1.0\n-5.654150 -7.453567 0.000000\n-5.654150 7.453567 -0.000000\n0.000000 0.000000 -14.500808\nHo Ni C\n8 88 12\ndirect\n0.815075 0.684925 0.250000 Ho\n0.684925 0.815075 0.750000 Ho\n0.184925 0.315075 0.750000 Ho\n0.315075 0.184925 0.250000 Ho\n0.706823 0.293177 0.528403 Ho\n0.293177 0.706823 0.471597 Ho\n0.793177 0.206823 0.028403 Ho\n0.206823 0.793177 0.971597 Ho\n0.928600 0.430000 0.181469 Ni\n0.430000 0.928600 0.818531 Ni\n0.930000 0.428600 0.681469 Ni\n0.428600 0.930000 0.318531 Ni\n0.071400 0.570000 0.818531 Ni\n0.570000 0.071400 0.181469 Ni\n0.070000 0.571400 0.318531 Ni\n0.571400 0.070000 0.681469 Ni\n0.561033 0.438967 0.342111 Ni\n0.438967 0.561033 0.657889 Ni\n0.938967 0.061033 0.842111 Ni\n0.061033 0.938967 0.157889 Ni\n0.008699 0.768858 0.421425 Ni\n0.768858 0.008699 0.578575 Ni\n0.268858 0.508699 0.921425 Ni\n0.508699 0.268858 0.078575 Ni\n0.991301 0.231142 0.578575 Ni\n0.231142 0.991301 0.421425 Ni\n0.731142 0.491301 0.078575 Ni\n0.491301 0.731142 0.921425 Ni\n0.752465 0.597545 0.450333 Ni\n0.597545 0.752465 0.549667 Ni\n0.097545 0.252465 0.950333 Ni\n0.252465 0.097545 0.049667 Ni\n0.247535 0.402455 0.549667 Ni\n0.402455 0.247535 0.450333 Ni\n0.902455 0.747535 0.049667 Ni\n0.747535 0.902455 0.950333 Ni\n0.140659 0.211745 0.426798 Ni\n0.211745 0.140659 0.573202 Ni\n0.711745 0.640659 0.926798 Ni\n0.640659 0.711745 0.073202 Ni\n0.859341 0.788255 0.573202 Ni\n0.788255 0.859341 0.426798 Ni\n0.288255 0.359341 0.073202 Ni\n0.359341 0.288255 0.926798 Ni\n0.820563 0.395828 0.343749 Ni\n0.395828 0.820563 0.656251 Ni\n0.895828 0.320563 0.843749 Ni\n0.320563 0.895828 0.156251 Ni\n0.179437 0.604172 0.656251 Ni\n0.604172 0.179437 0.343749 Ni\n0.104172 0.679437 0.156251 Ni\n0.679437 0.104172 0.843749 Ni\n0.949197 0.797121 0.869504 Ni\n0.797121 0.949197 0.130496 Ni\n0.297121 0.449197 0.369504 Ni\n0.449197 0.297121 0.630496 Ni\n0.050803 0.202879 0.130496 Ni\n0.202879 0.050803 0.869504 Ni\n0.702879 0.550803 0.630496 Ni\n0.550803 0.702879 0.369504 Ni\n0.046398 0.292990 0.298477 Ni\n0.292990 0.046398 0.701523 Ni\n0.792990 0.546398 0.798477 Ni\n0.546398 0.792990 0.201523 Ni\n0.953602 0.707010 0.701523 Ni\n0.707010 0.953602 0.298477 Ni\n0.207010 0.453602 0.201523 Ni\n0.453602 0.207010 0.798477 Ni\n0.819160 0.180840 0.232707 Ni\n0.180840 0.819160 0.767293 Ni\n0.680840 0.319160 0.732707 Ni\n0.319160 0.680840 0.267293 Ni\n0.855384 0.144616 0.413819 Ni\n0.144616 0.855384 0.586181 Ni\n0.644616 0.355384 0.913819 Ni\n0.355384 0.644616 0.086181 Ni\n0.997928 0.002072 0.325155 Ni\n0.002072 0.997928 0.674845 Ni\n0.502072 0.497928 0.825155 Ni\n0.497928 0.502072 0.174845 Ni\n0.658398 0.341602 0.211723 Ni\n0.341602 0.658398 0.788277 Ni\n0.841602 0.158398 0.711723 Ni\n0.158398 0.841602 0.288277 Ni\n-0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Ni\n0.092737 0.471678 0.048160 Ni\n0.471678 0.092737 0.951840 Ni\n0.971678 0.592737 0.548160 Ni\n0.592737 0.971678 0.451840 Ni\n0.907263 0.528322 0.951840 Ni\n0.528322 0.907263 0.048160 Ni\n0.028322 0.407263 0.451840 Ni\n0.407263 0.028322 0.548160 Ni\n0.500000 0.500000 0.500000 Ni\n-0.000000 0.000000 0.000000 Ni\n0.945022 0.054978 0.211114 C\n0.054978 0.945022 0.788886 C\n0.554978 0.445022 0.711114 C\n0.445022 0.554978 0.288886 C\n0.931731 0.557602 0.416169 C\n0.557602 0.931731 0.583831 C\n0.057602 0.431731 0.916169 C\n0.431731 0.057602 0.083831 C\n0.068269 0.442398 0.583831 C\n0.442398 0.068269 0.416169 C\n0.942398 0.568269 0.083831 C\n0.568269 0.942398 0.916169 C\n",
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{
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"structure_string": "Ca6 Cu10 Si18 O52\n1.0\n5.120974 5.051973 -0.135425\n-5.120974 5.051973 0.135425\n0.017651 0.000000 20.206722\nCa Cu Si O\n6 10 18 52\ndirect\n0.273804 0.273804 0.750000 Ca\n0.726196 0.726196 0.250000 Ca\n0.711020 0.762415 0.929849 Ca\n0.762415 0.711020 0.570151 Ca\n0.288980 0.237585 0.070151 Ca\n0.237585 0.288980 0.429849 Ca\n0.000000 0.500000 0.000000 Cu\n0.500000 0.000000 0.500000 Cu\n0.973929 0.510478 0.839548 Cu\n0.510478 0.973929 0.660452 Cu\n0.026071 0.489522 0.160452 Cu\n0.489522 0.026071 0.339548 Cu\n0.960976 0.017691 0.828629 Cu\n0.017691 0.960976 0.671371 Cu\n0.039024 0.982309 0.171371 Cu\n0.982309 0.039024 0.328629 Cu\n0.243281 0.247770 0.911476 Si\n0.247770 0.243281 0.588524 Si\n0.756719 0.752230 0.088524 Si\n0.752230 0.756719 0.411476 Si\n0.654650 0.256099 0.906903 Si\n0.256099 0.654650 0.593097 Si\n0.345350 0.743901 0.093097 Si\n0.743901 0.345350 0.406903 Si\n0.693139 0.237233 0.195702 Si\n0.237233 0.693139 0.304298 Si\n0.306861 0.762767 0.804298 Si\n0.762767 0.306861 0.695702 Si\n0.280199 0.280199 0.250000 Si\n0.719801 0.719801 0.750000 Si\n0.750312 0.180548 0.051279 Si\n0.180548 0.750312 0.448721 Si\n0.249688 0.819452 0.948721 Si\n0.819452 0.249688 0.551279 Si\n0.442682 0.264237 0.871663 O\n0.264237 0.442682 0.628337 O\n0.557318 0.735763 0.128337 O\n0.735763 0.557318 0.371663 O\n0.082911 0.257430 0.852212 O\n0.257430 0.082911 0.647788 O\n0.917089 0.742570 0.147788 O\n0.742570 0.917089 0.352212 O\n0.152097 0.235075 0.183941 O\n0.235075 0.152097 0.316059 O\n0.847903 0.764925 0.816059 O\n0.764925 0.847903 0.683941 O\n0.229661 0.401211 0.968033 O\n0.401211 0.229661 0.531967 O\n0.770339 0.598789 0.031967 O\n0.598789 0.770339 0.468033 O\n0.805564 0.430078 0.209389 O\n0.430078 0.805564 0.290611 O\n0.194436 0.569922 0.790611 O\n0.569922 0.194436 0.709389 O\n0.763456 0.452345 0.894583 O\n0.452345 0.763456 0.605417 O\n0.236544 0.547655 0.105417 O\n0.547655 0.236544 0.394583 O\n0.806142 0.049310 0.215500 O\n0.049310 0.806142 0.284500 O\n0.193858 0.950690 0.784500 O\n0.950690 0.193858 0.715500 O\n0.611809 0.234601 0.988165 O\n0.234601 0.611809 0.511835 O\n0.388191 0.765399 0.011835 O\n0.765399 0.388191 0.488165 O\n0.619606 0.227646 0.115969 O\n0.227646 0.619606 0.384031 O\n0.380394 0.772354 0.884031 O\n0.772354 0.380394 0.615969 O\n0.501122 0.244449 0.238116 O\n0.244449 0.501122 0.261884 O\n0.498878 0.755551 0.761884 O\n0.755551 0.498878 0.738116 O\n0.956312 0.270871 0.054201 O\n0.270871 0.956312 0.445799 O\n0.043688 0.729129 0.945799 O\n0.729129 0.043688 0.554201 O\n0.233765 0.047371 0.952133 O\n0.047371 0.233765 0.547867 O\n0.766235 0.952629 0.047867 O\n0.952629 0.766235 0.452133 O\n0.066391 0.753317 0.614968 O\n0.753317 0.066391 0.885032 O\n0.933609 0.246683 0.385032 O\n0.246683 0.933609 0.114968 O\n",
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{
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"structure_string": "K1 Rb2 Sc1 Cl6\n1.0\n0.000000 5.489413 5.489413\n5.489413 0.000000 5.489413\n5.489413 5.489413 0.000000\nK Rb Sc Cl\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Sc\n0.772471 0.227529 0.227529 Cl\n0.227529 0.227529 0.772471 Cl\n0.227529 0.772471 0.772471 Cl\n0.227529 0.772471 0.227529 Cl\n0.772471 0.227529 0.772471 Cl\n0.772471 0.772471 0.227529 Cl\n",
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