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{
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{
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"structure_string": "Mg6 P4 H32 O32\n1.0\n13.925066 2.341138 0.000000\n-13.925066 2.341138 0.000000\n0.000000 1.981696 9.809410\nMg P H O\n6 4 32 32\ndirect\n0.182985 0.817015 0.750000 Mg\n0.076064 0.923936 0.750000 Mg\n0.627257 0.372743 0.250000 Mg\n0.372743 0.627257 0.750000 Mg\n0.817015 0.182985 0.250000 Mg\n0.923936 0.076064 0.250000 Mg\n0.442244 0.703575 0.062731 P\n0.296425 0.557756 0.437269 P\n0.703575 0.442244 0.562731 P\n0.557756 0.296425 0.937269 P\n0.082921 0.904658 0.125713 H\n0.153614 0.815281 0.129347 H\n0.184719 0.846386 0.370653 H\n0.095342 0.917079 0.374287 H\n0.196016 0.175227 0.349466 H\n0.504400 0.036782 0.207427 H\n0.337112 0.187080 0.450124 H\n0.462078 0.082656 0.436248 H\n0.135604 0.585068 0.375353 H\n0.326694 0.401697 0.376751 H\n0.175227 0.196016 0.849466 H\n0.036782 0.504400 0.707427 H\n0.187080 0.337112 0.950124 H\n0.082656 0.462078 0.936248 H\n0.598303 0.673306 0.123249 H\n0.414932 0.864396 0.124647 H\n0.585068 0.135604 0.875353 H\n0.401697 0.326694 0.876751 H\n0.917344 0.537922 0.063752 H\n0.812920 0.662888 0.049876 H\n0.963218 0.495600 0.292573 H\n0.824773 0.803984 0.150534 H\n0.673306 0.598303 0.623249 H\n0.864396 0.414932 0.624647 H\n0.537922 0.917344 0.563752 H\n0.662888 0.812920 0.549876 H\n0.495600 0.963218 0.792573 H\n0.803984 0.824773 0.650534 H\n0.904658 0.082921 0.625713 H\n0.815281 0.153614 0.629347 H\n0.846386 0.184719 0.870653 H\n0.917079 0.095342 0.874287 H\n0.056393 0.582210 0.651794 O\n0.407785 0.147809 0.092511 O\n0.054626 0.314852 0.351683 O\n0.157283 0.207647 0.352506 O\n0.398845 0.031382 0.346156 O\n0.280330 0.131593 0.356940 O\n0.299660 0.467993 0.090592 O\n0.209814 0.564384 0.090467 O\n0.147809 0.407785 0.592511 O\n0.417790 0.943607 0.848206 O\n0.314852 0.054626 0.851683 O\n0.207647 0.157283 0.852506 O\n0.031382 0.398845 0.846156 O\n0.131593 0.280330 0.856940 O\n0.467993 0.299660 0.590592 O\n0.564384 0.209814 0.590467 O\n0.435616 0.790186 0.409533 O\n0.532007 0.700340 0.409408 O\n0.868407 0.719670 0.143060 O\n0.968618 0.601155 0.153844 O\n0.792353 0.842717 0.147494 O\n0.685148 0.945374 0.148317 O\n0.582210 0.056393 0.151794 O\n0.852191 0.592215 0.407489 O\n0.790186 0.435616 0.909533 O\n0.700340 0.532007 0.909408 O\n0.719670 0.868407 0.643060 O\n0.601155 0.968618 0.653844 O\n0.842717 0.792353 0.647494 O\n0.945374 0.685148 0.648317 O\n0.592215 0.852191 0.907489 O\n0.943607 0.417790 0.348206 O\n",
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"formula_full": "Mg6 P4 H32 O32",
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{
"id": "mp-1522207",
"created_at": "2022-09-04T14:39:15.297436Z",
"structure_string": "Na1 Pr1 Hf1 Ti1 O6\n1.0\n-0.000000 -3.997185 -3.997185\n3.997185 0.000000 -3.997185\n3.997185 -3.997185 -0.000000\nNa Pr Hf Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Pr\n-0.000000 0.000000 -0.000000 Hf\n0.500000 0.500000 0.500000 Ti\n0.743894 0.256106 0.256106 O\n0.256106 0.743894 0.743894 O\n0.743894 0.256106 0.743894 O\n0.256106 0.743894 0.256106 O\n0.743894 0.743894 0.256106 O\n0.256106 0.256106 0.743894 O\n",
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],
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"formula_full": "Na1 Pr1 Hf1 Ti1 O6",
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"updated_at": "2021-11-28T01:34:43.717000Z",
"spacegroup": 216
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{
"id": "mp-1180610",
"created_at": "2022-09-04T14:39:14.950454Z",
"structure_string": "Li4 B20 O52\n1.0\n7.673442 4.878428 0.000000\n-7.673442 4.878428 0.000000\n0.000000 3.748521 12.743337\nLi B O\n4 20 52\ndirect\n0.148714 0.851286 0.250000 Li\n0.851286 0.148714 0.750000 Li\n0.603028 0.396972 0.250000 Li\n0.396972 0.603028 0.750000 Li\n0.165789 0.351212 0.168164 B\n0.648788 0.834211 0.331836 B\n0.834211 0.648788 0.831836 B\n0.351212 0.165789 0.668164 B\n0.977848 0.314713 0.046189 B\n0.685287 0.022152 0.453811 B\n0.022152 0.685287 0.953811 B\n0.314713 0.977848 0.546189 B\n0.274667 0.432943 0.974590 B\n0.567057 0.725333 0.525410 B\n0.725333 0.567057 0.025410 B\n0.432943 0.274667 0.474590 B\n0.159813 0.387016 0.345896 B\n0.612984 0.840187 0.154104 B\n0.840187 0.612984 0.654104 B\n0.387016 0.159813 0.845896 B\n0.127507 0.126815 0.322662 B\n0.873185 0.872493 0.177338 B\n0.872493 0.873185 0.677338 B\n0.126815 0.127507 0.822662 B\n0.820018 0.274345 0.032913 O\n0.725655 0.179982 0.467087 O\n0.179982 0.725655 0.967087 O\n0.274345 0.820018 0.532913 O\n0.110767 0.362843 0.959061 O\n0.637157 0.889233 0.540939 O\n0.889233 0.637157 0.040939 O\n0.362843 0.110767 0.459061 O\n0.395432 0.496060 0.883760 O\n0.503940 0.604568 0.616240 O\n0.604568 0.503940 0.116240 O\n0.496060 0.395432 0.383760 O\n0.001873 0.311079 0.145357 O\n0.688921 0.998127 0.354643 O\n0.998127 0.688921 0.854643 O\n0.311079 0.001873 0.645357 O\n0.301461 0.437044 0.073210 O\n0.562956 0.698539 0.426790 O\n0.698539 0.562956 0.926790 O\n0.437044 0.301461 0.573210 O\n0.190873 0.457739 0.244848 O\n0.542261 0.809127 0.255152 O\n0.809127 0.542261 0.755152 O\n0.457739 0.190873 0.744848 O\n0.169168 0.194466 0.216435 O\n0.805534 0.830832 0.283565 O\n0.830832 0.805534 0.783565 O\n0.194466 0.169168 0.716435 O\n0.169363 0.492775 0.423023 O\n0.507225 0.830637 0.076977 O\n0.830637 0.507225 0.576977 O\n0.492775 0.169363 0.923023 O\n0.117449 0.226224 0.392928 O\n0.773776 0.882551 0.107072 O\n0.882551 0.773776 0.607072 O\n0.226224 0.117449 0.892928 O\n0.097632 0.965233 0.353781 O\n0.034767 0.902368 0.146219 O\n0.902368 0.034767 0.646219 O\n0.965233 0.097632 0.853781 O\n0.353804 0.800951 0.116179 O\n0.199049 0.646196 0.383821 O\n0.646196 0.199049 0.883821 O\n0.800951 0.353804 0.616179 O\n0.907283 0.582156 0.343638 O\n0.417844 0.092717 0.156362 O\n0.092717 0.417844 0.656362 O\n0.582156 0.907283 0.843638 O\n0.848788 0.454700 0.310894 O\n0.545300 0.151212 0.189106 O\n0.151212 0.545300 0.689106 O\n0.454700 0.848788 0.810894 O\n",
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"formula_full": "Li4 B20 O52",
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{
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"structure_string": "Ca1 Ho2 Se4\n1.0\n4.137525 0.000000 0.000000\n0.000000 7.023115 0.000000\n0.000000 2.232685 6.892413\nCa Ho Se\n1 2 4\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ho\n0.500000 0.500000 0.000000 Ho\n0.500000 0.241404 0.769501 Se\n0.000000 0.258382 0.239864 Se\n0.000000 0.741618 0.760136 Se\n0.500000 0.758596 0.230499 Se\n",
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{
"id": "mp-1539667",
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"structure_string": "Cs2 Pb2 Cl6\n1.0\n5.810999 0.000000 0.000000\n0.000000 7.970349 7.970349\n0.000000 0.002149 7.968200\nCs Pb Cl\n2 2 6\ndirect\n0.500000 0.492587 0.500000 Cs\n0.500000 0.994287 0.500000 Cs\n0.000000 0.992645 0.000255 Pb\n0.000000 0.492901 0.999745 Pb\n0.000000 0.183483 0.118688 Cl\n0.500000 0.492175 0.000857 Cl\n0.500000 0.993032 0.999143 Cl\n0.000000 0.301362 0.500000 Cl\n0.000000 0.683356 0.500000 Cl\n0.000000 0.802171 0.881312 Cl\n",
"nsites": 10,
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"formula_full": "Cs2 Pb2 Cl6",
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{
"id": "mp-1112624",
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"structure_string": "Cs2 Li1 Gd1 Cl6\n1.0\n0.000000 5.335676 5.335676\n5.335676 0.000000 5.335676\n5.335676 5.335676 0.000000\nCs Li Gd Cl\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 Li\n0.000000 0.000000 0.000000 Gd\n0.748918 0.251082 0.251082 Cl\n0.251082 0.251082 0.748918 Cl\n0.251082 0.748918 0.748918 Cl\n0.251082 0.748918 0.251082 Cl\n0.748918 0.251082 0.748918 Cl\n0.748918 0.748918 0.251082 Cl\n",
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"formula_full": "Cs2 Li1 Gd1 Cl6",
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{
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"structure_string": "Li8 Fe8 P8 O32\n1.0\n5.804526 0.000000 0.000000\n0.000000 7.684890 0.000000\n0.000000 0.000000 13.981839\nLi Fe P O\n8 8 8 32\ndirect\n0.415001 0.171756 0.527061 Li\n0.915001 0.171756 0.972939 Li\n0.415001 0.328244 0.027061 Li\n0.915001 0.328244 0.472939 Li\n0.084999 0.671756 0.527061 Li\n0.584999 0.671756 0.972939 Li\n0.084999 0.828244 0.027061 Li\n0.584999 0.828244 0.472939 Li\n0.159647 0.184115 0.218433 Fe\n0.659647 0.184115 0.281567 Fe\n0.659647 0.315885 0.781567 Fe\n0.159647 0.315885 0.718433 Fe\n0.340353 0.684115 0.218433 Fe\n0.840353 0.684115 0.281567 Fe\n0.340353 0.815885 0.718433 Fe\n0.840353 0.815885 0.781567 Fe\n0.894928 0.040566 0.626513 P\n0.394928 0.040566 0.873487 P\n0.894928 0.459434 0.126513 P\n0.394928 0.459434 0.373487 P\n0.605072 0.540566 0.626513 P\n0.105072 0.540566 0.873487 P\n0.605072 0.959434 0.126513 P\n0.105072 0.959434 0.373487 P\n0.813218 0.976385 0.061475 O\n0.313218 0.976385 0.438525 O\n0.323686 0.085483 0.766858 O\n0.823686 0.085483 0.733142 O\n0.481436 0.140056 0.142314 O\n0.981436 0.140056 0.357686 O\n0.067056 0.183503 0.592969 O\n0.567056 0.183503 0.907031 O\n0.067056 0.316497 0.092969 O\n0.567056 0.316497 0.407031 O\n0.481436 0.359944 0.642314 O\n0.981436 0.359944 0.857686 O\n0.823686 0.414517 0.233142 O\n0.323686 0.414517 0.266858 O\n0.813218 0.523615 0.561475 O\n0.313218 0.523615 0.938525 O\n0.186782 0.476385 0.438525 O\n0.686782 0.476385 0.061475 O\n0.676314 0.585483 0.733142 O\n0.176314 0.585483 0.766858 O\n0.018564 0.640056 0.142314 O\n0.518564 0.640056 0.357686 O\n0.432944 0.683503 0.592969 O\n0.932944 0.683503 0.907031 O\n0.432944 0.816497 0.092969 O\n0.932944 0.816497 0.407031 O\n0.018564 0.859944 0.642314 O\n0.518564 0.859944 0.857686 O\n0.676314 0.914517 0.233142 O\n0.176314 0.914517 0.266858 O\n0.686782 0.023615 0.561475 O\n0.186782 0.023615 0.938525 O\n",
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