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{
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{
"id": "mp-1040107",
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"structure_string": "Na1 Li1 Mg30 O31\n1.0\n8.555439 0.000000 0.000000\n0.000000 8.555439 0.000000\n0.000000 0.000000 8.525069\nNa Li Mg O\n1 1 30 31\ndirect\n0.500000 0.500000 0.998909 Na\n0.000000 0.000000 0.977327 Li\n0.500000 0.000000 0.996405 Mg\n0.000000 0.500000 0.996405 Mg\n0.000000 0.000000 0.520848 Mg\n0.500000 0.000000 0.502781 Mg\n0.000000 0.500000 0.502781 Mg\n0.500000 0.500000 0.500780 Mg\n0.248161 0.248161 0.000302 Mg\n0.751839 0.248161 0.000302 Mg\n0.248161 0.751839 0.000302 Mg\n0.751839 0.751839 0.000302 Mg\n0.249768 0.249768 0.499987 Mg\n0.750232 0.249768 0.499987 Mg\n0.249768 0.750232 0.499987 Mg\n0.750232 0.750232 0.499987 Mg\n0.270342 0.000000 0.245832 Mg\n0.729658 0.000000 0.245832 Mg\n0.253796 0.500000 0.247343 Mg\n0.746204 0.500000 0.247343 Mg\n0.248599 0.000000 0.756938 Mg\n0.751401 0.000000 0.756938 Mg\n0.252182 0.500000 0.752636 Mg\n0.747818 0.500000 0.752636 Mg\n0.000000 0.270342 0.245832 Mg\n0.500000 0.253796 0.247343 Mg\n0.000000 0.729658 0.245832 Mg\n0.500000 0.746204 0.247343 Mg\n0.000000 0.248599 0.756938 Mg\n0.500000 0.252182 0.752636 Mg\n0.000000 0.751401 0.756938 Mg\n0.500000 0.747818 0.752636 Mg\n0.500000 0.000000 0.254756 O\n0.000000 0.500000 0.254756 O\n0.500000 0.500000 0.263033 O\n0.000000 0.000000 0.749941 O\n0.500000 0.000000 0.746229 O\n0.000000 0.500000 0.746229 O\n0.500000 0.500000 0.736473 O\n0.244544 0.244544 0.250505 O\n0.755456 0.244544 0.250505 O\n0.244544 0.755456 0.250505 O\n0.755456 0.755456 0.250505 O\n0.248471 0.248471 0.749295 O\n0.751529 0.248471 0.749295 O\n0.248471 0.751529 0.749295 O\n0.751529 0.751529 0.749295 O\n0.249683 0.000000 0.005391 O\n0.750317 0.000000 0.005391 O\n0.236739 0.500000 0.001661 O\n0.763261 0.500000 0.001661 O\n0.242710 0.000000 0.492406 O\n0.757290 0.000000 0.492406 O\n0.246432 0.500000 0.498291 O\n0.753568 0.500000 0.498291 O\n0.000000 0.249683 0.005391 O\n0.500000 0.236739 0.001661 O\n0.000000 0.750317 0.005391 O\n0.500000 0.763261 0.001661 O\n0.000000 0.242710 0.492406 O\n0.500000 0.246432 0.498291 O\n0.000000 0.757290 0.492406 O\n0.500000 0.753568 0.498291 O\n",
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"formula_full": "Na1 Li1 Mg30 O31",
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"spacegroup": 99
},
{
"id": "mp-1227780",
"created_at": "2022-09-04T14:48:16.469026Z",
"structure_string": "Ce2 Ti2 Fe22 H1\n1.0\n2.365971 6.050582 0.000000\n-2.365971 6.050582 0.000000\n0.000000 0.078709 11.991771\nCe Ti Fe H\n2 2 22 1\ndirect\n0.996214 0.996214 0.003841 Ce\n0.496224 0.496224 0.503471 Ce\n0.684252 0.684252 0.315517 Ti\n0.183841 0.183841 0.816061 Ti\n0.612227 0.612227 0.110632 Fe\n0.112344 0.112344 0.610974 Fe\n0.888452 0.888452 0.387709 Fe\n0.389230 0.389230 0.887597 Fe\n0.113452 0.113452 0.386987 Fe\n0.612993 0.612993 0.887168 Fe\n0.385477 0.385477 0.114529 Fe\n0.884456 0.884456 0.615193 Fe\n0.248378 0.749525 0.250267 Fe\n0.748869 0.248907 0.749523 Fe\n0.749525 0.248378 0.250267 Fe\n0.248907 0.748869 0.749523 Fe\n0.500600 0.999952 0.001182 Fe\n0.000632 0.499807 0.501141 Fe\n0.999952 0.500600 0.001182 Fe\n0.499807 0.000632 0.501141 Fe\n0.321265 0.321265 0.321005 Fe\n0.821339 0.821339 0.821698 Fe\n0.178413 0.178413 0.178583 Fe\n0.678286 0.678286 0.679046 Fe\n0.822831 0.822831 0.177317 Fe\n0.322702 0.322702 0.677847 Fe\n0.499331 0.499331 0.000599 H\n",
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"H"
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"formula_full": "Ce2 Ti2 Fe22 H1",
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{
"id": "mp-780435",
"created_at": "2022-09-04T14:48:16.471277Z",
"structure_string": "Li20 Co8 P12 O48\n1.0\n8.792960 0.000000 0.000000\n0.000000 8.699978 0.000000\n0.000000 0.151293 12.411619\nLi Co P O\n20 8 12 48\ndirect\n0.520744 0.182729 0.100408 Li\n0.093562 0.177998 0.445816 Li\n0.732513 0.107325 0.496962 Li\n0.657094 0.154960 0.724836 Li\n0.770047 0.047551 0.934238 Li\n0.270047 0.952449 0.065762 Li\n0.157094 0.845040 0.275164 Li\n0.232513 0.892675 0.503038 Li\n0.593562 0.822002 0.554184 Li\n0.020744 0.817271 0.899592 Li\n0.987009 0.696148 0.591834 Li\n0.405850 0.674203 0.943985 Li\n0.771636 0.624339 0.006660 Li\n0.681446 0.597046 0.243116 Li\n0.738361 0.550759 0.445975 Li\n0.238361 0.449241 0.554025 Li\n0.181446 0.402954 0.756884 Li\n0.271636 0.375661 0.993340 Li\n0.905850 0.325797 0.056015 Li\n0.487009 0.303852 0.408166 Li\n0.530615 0.991674 0.348780 Co\n0.030615 0.008326 0.651220 Co\n0.450224 0.000609 0.860275 Co\n0.950224 0.999391 0.139725 Co\n0.044693 0.500356 0.351742 Co\n0.544693 0.499644 0.648258 Co\n0.944060 0.505899 0.857843 Co\n0.444060 0.494101 0.142157 Co\n0.247363 0.200570 0.243428 P\n0.393534 0.142561 0.599703 P\n0.100345 0.142606 0.906150 P\n0.893534 0.857439 0.400297 P\n0.600345 0.857394 0.093850 P\n0.747363 0.799430 0.756572 P\n0.247881 0.702634 0.740869 P\n0.399407 0.647807 0.398451 P\n0.107874 0.645582 0.097880 P\n0.899407 0.352193 0.601549 P\n0.607874 0.354418 0.902120 P\n0.747881 0.297366 0.259131 P\n0.861652 0.208210 0.191734 O\n0.863569 0.177654 0.619727 O\n0.680465 0.205760 0.356561 O\n0.589313 0.184029 0.941075 O\n0.373567 0.159891 0.326320 O\n0.226890 0.099601 0.568489 O\n0.421088 0.125097 0.720663 O\n0.975591 0.122269 0.994430 O\n0.258545 0.087807 0.944385 O\n0.179103 0.047987 0.199015 O\n0.047520 0.046176 0.809810 O\n0.510448 0.041820 0.536641 O\n0.010448 0.958180 0.463359 O\n0.547520 0.953824 0.190190 O\n0.679103 0.952013 0.800985 O\n0.758545 0.912193 0.055615 O\n0.921088 0.874903 0.279337 O\n0.475591 0.877731 0.005570 O\n0.726890 0.900399 0.431511 O\n0.873567 0.840109 0.673680 O\n0.180465 0.794240 0.643439 O\n0.363569 0.822346 0.380273 O\n0.089313 0.815971 0.058925 O\n0.361652 0.791790 0.808266 O\n0.628186 0.708424 0.694146 O\n0.918667 0.686665 0.437476 O\n0.613642 0.680649 0.113831 O\n0.815879 0.710359 0.855731 O\n0.119900 0.649940 0.820231 O\n0.266482 0.590058 0.056143 O\n0.519386 0.629301 0.490590 O\n0.108751 0.636343 0.221428 O\n0.248381 0.569057 0.428983 O\n0.317644 0.550582 0.693634 O\n0.473306 0.572575 0.299062 O\n0.980760 0.548262 0.045090 O\n0.480760 0.451738 0.954910 O\n0.973306 0.427425 0.700938 O\n0.817644 0.449418 0.306366 O\n0.748381 0.430943 0.571017 O\n0.019386 0.370699 0.509410 O\n0.608751 0.363657 0.778572 O\n0.766482 0.409942 0.943857 O\n0.619900 0.350060 0.179769 O\n0.418667 0.313335 0.562524 O\n0.315879 0.289641 0.144269 O\n0.113642 0.319351 0.886169 O\n0.128186 0.291576 0.305854 O\n",
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],
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"formula_full": "Li20 Co8 P12 O48",
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{
"id": "mp-1188087",
"created_at": "2022-09-04T14:48:16.475853Z",
"structure_string": "Pt2 S2 N8 O8\n1.0\n7.085349 0.000000 0.000000\n0.000000 7.085349 0.000000\n-3.542674 -3.542674 7.337857\nPt S N O\n2 2 8 8\ndirect\n0.250000 0.750000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.750000 0.250000 0.500000 S\n0.500000 0.500000 0.000000 S\n0.435732 0.564268 0.500000 N\n0.064268 0.935732 0.500000 N\n0.185732 0.814268 0.000000 N\n0.814268 0.185732 0.000000 N\n0.064268 0.564268 0.500000 N\n0.435732 0.935732 0.500000 N\n0.814268 0.814268 0.000000 N\n0.185732 0.185732 0.000000 N\n0.857774 0.188989 0.377978 O\n0.520203 0.188989 0.377978 O\n0.729797 0.561011 0.122022 O\n0.392226 0.561011 0.122022 O\n0.811011 0.142226 0.622022 O\n0.811011 0.479797 0.622022 O\n0.438989 0.270203 0.877978 O\n0.438989 0.607774 0.877978 O\n",
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{
"id": "mp-1019784",
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"structure_string": "K8 S4 N8 O20\n1.0\n7.217281 0.000000 0.000000\n0.000000 8.240908 0.000000\n0.000000 0.000000 10.114946\nK S N O\n8 4 8 20\ndirect\n0.553537 0.488360 0.810294 K\n0.946463 0.011640 0.310294 K\n0.446463 0.988360 0.189706 K\n0.053537 0.511640 0.689706 K\n0.446463 0.511640 0.189706 K\n0.053537 0.988360 0.689706 K\n0.553537 0.011640 0.810294 K\n0.946463 0.488360 0.310294 K\n0.355697 0.250000 0.503074 S\n0.144303 0.250000 0.003074 S\n0.644303 0.750000 0.496926 S\n0.855697 0.750000 0.996926 S\n0.598135 0.250000 0.464511 N\n0.901865 0.250000 0.964511 N\n0.401865 0.750000 0.535489 N\n0.098135 0.750000 0.035489 N\n0.714195 0.250000 0.563529 N\n0.785805 0.250000 0.063529 N\n0.285805 0.750000 0.436471 N\n0.214195 0.750000 0.936471 N\n0.344070 0.250000 0.647785 O\n0.155930 0.250000 0.147785 O\n0.655930 0.750000 0.352215 O\n0.844070 0.750000 0.852215 O\n0.289344 0.398844 0.441146 O\n0.210656 0.101156 0.941146 O\n0.710656 0.898844 0.558854 O\n0.789344 0.601156 0.058854 O\n0.710656 0.601156 0.558854 O\n0.789344 0.898844 0.058854 O\n0.289344 0.101156 0.441146 O\n0.210656 0.398844 0.941146 O\n0.639531 0.250000 0.338871 O\n0.860469 0.250000 0.838871 O\n0.360469 0.750000 0.661129 O\n0.139531 0.750000 0.161129 O\n0.886741 0.250000 0.527550 O\n0.613259 0.250000 0.027550 O\n0.113259 0.750000 0.472450 O\n0.386741 0.750000 0.972450 O\n",
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"formula_full": "K8 S4 N8 O20",
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{
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"created_at": "2022-09-04T14:48:16.485800Z",
"structure_string": "Cs2 Na1 Sb1 Br6\n1.0\n0.000000 5.776707 5.776707\n5.776707 0.000000 5.776707\n5.776707 5.776707 0.000000\nCs Na Sb Br\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 Na\n0.000000 0.000000 0.000000 Sb\n0.755790 0.244210 0.244210 Br\n0.244210 0.244210 0.755790 Br\n0.244210 0.755790 0.755790 Br\n0.244210 0.755790 0.244210 Br\n0.755790 0.244210 0.755790 Br\n0.755790 0.755790 0.244210 Br\n",
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"formula_full": "Cs2 Na1 Sb1 Br6",
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{
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"structure_string": "La2 Fe10 H14\n1.0\n2.818574 -4.881914 0.000000\n2.818574 4.881914 0.000000\n0.000000 0.000000 8.295883\nLa Fe H\n2 10 14\ndirect\n0.000000 0.000000 0.022163 La\n0.000000 0.000000 0.522163 La\n0.976470 0.488235 0.771983 Fe\n0.333333 0.666667 0.513404 Fe\n0.666667 0.333333 0.489323 Fe\n0.511765 0.488235 0.771983 Fe\n0.666667 0.333333 0.013404 Fe\n0.488235 0.976470 0.271983 Fe\n0.023530 0.511765 0.271983 Fe\n0.333333 0.666667 0.989323 Fe\n0.511765 0.023530 0.771983 Fe\n0.488235 0.511765 0.271983 Fe\n0.859553 0.719107 0.772947 H\n0.859553 0.140447 0.772947 H\n0.140447 0.859553 0.272947 H\n0.333333 0.666667 0.768885 H\n0.006119 0.503060 0.062812 H\n0.719107 0.859553 0.272947 H\n0.503060 0.006119 0.562812 H\n0.993881 0.496940 0.562812 H\n0.140447 0.280893 0.272947 H\n0.666667 0.333333 0.268885 H\n0.496940 0.503060 0.062812 H\n0.496940 0.993881 0.062812 H\n0.503060 0.496940 0.562812 H\n0.280893 0.140447 0.772947 H\n",
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"spacegroup": 186
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{
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