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{
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{
"id": "mp-774372",
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"structure_string": "Ti3 Cr2 Sb1 P6 O24\n1.0\n7.540876 -4.368288 0.000000\n7.540876 4.368288 0.000000\n5.010408 0.000000 7.130397\nTi Cr Sb P O\n3 2 1 6 24\ndirect\n0.145400 0.145400 0.145400 Ti\n0.353163 0.353163 0.353163 Ti\n0.645743 0.645743 0.645743 Ti\n0.000517 0.000517 0.000517 Cr\n0.498363 0.498363 0.498363 Cr\n0.852181 0.852181 0.852181 Sb\n0.442053 0.750465 0.050696 P\n0.750465 0.050696 0.442053 P\n0.956795 0.536184 0.261462 P\n0.261462 0.956795 0.536184 P\n0.536184 0.261462 0.956795 P\n0.050696 0.442053 0.750465 P\n0.476083 0.337703 0.110669 O\n0.110669 0.476083 0.337703 O\n0.252832 0.914570 0.061289 O\n0.337703 0.110669 0.476083 O\n0.589780 0.804485 0.038254 O\n0.414061 0.587809 0.240230 O\n0.914570 0.061289 0.252832 O\n0.587809 0.240230 0.414061 O\n0.998187 0.383705 0.191199 O\n0.240230 0.414061 0.587809 O\n0.954632 0.728357 0.106659 O\n0.191199 0.998187 0.383705 O\n0.804485 0.038254 0.589780 O\n0.061289 0.252832 0.914570 O\n0.764242 0.553371 0.420740 O\n0.038254 0.589780 0.804485 O\n0.420740 0.764242 0.553371 O\n0.106659 0.954632 0.728357 O\n0.553371 0.420740 0.764242 O\n0.383705 0.191199 0.998187 O\n0.699839 0.878581 0.499704 O\n0.728357 0.106659 0.954632 O\n0.878581 0.499704 0.699839 O\n0.499704 0.699839 0.878581 O\n",
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{
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"structure_string": "Be12 Si12 Mo8 O48\n1.0\n7.784221 0.000000 0.000000\n0.000000 8.166881 0.000000\n0.000000 8.152245 14.090937\nBe Si Mo O\n12 12 8 48\ndirect\n0.854075 0.806960 0.761908 Be\n0.650137 0.178265 0.401176 Be\n0.150137 0.821735 0.098824 Be\n0.349863 0.821735 0.598824 Be\n0.849863 0.178265 0.901176 Be\n0.146641 0.475679 0.412787 Be\n0.646641 0.524321 0.087213 Be\n0.853359 0.524321 0.587213 Be\n0.353359 0.475679 0.912787 Be\n0.645925 0.806960 0.261908 Be\n0.145925 0.193040 0.238092 Be\n0.354075 0.193040 0.738092 Be\n0.233383 0.803841 0.764912 Si\n0.733383 0.196159 0.735088 Si\n0.766617 0.196159 0.235088 Si\n0.266617 0.803841 0.264912 Si\n0.729462 0.471751 0.916809 Si\n0.229462 0.528249 0.583191 Si\n0.270538 0.528249 0.083191 Si\n0.770538 0.471751 0.416809 Si\n0.232701 0.164351 0.902101 Si\n0.732701 0.835649 0.597899 Si\n0.767299 0.835649 0.097899 Si\n0.267299 0.164351 0.402101 Si\n0.453072 0.163157 0.088999 Mo\n0.046928 0.163157 0.588999 Mo\n0.546928 0.836843 0.911001 Mo\n0.953072 0.836843 0.411001 Mo\n0.554935 0.827910 0.423725 Mo\n0.054935 0.172090 0.076275 Mo\n0.445065 0.172090 0.576275 Mo\n0.945065 0.827910 0.923725 Mo\n0.132007 0.706713 0.039870 O\n0.043354 0.781626 0.814142 O\n0.543354 0.218374 0.685858 O\n0.956646 0.218374 0.185858 O\n0.456646 0.781626 0.314142 O\n0.540023 0.369708 0.952232 O\n0.040023 0.630292 0.547768 O\n0.459977 0.630292 0.047768 O\n0.959977 0.369708 0.452232 O\n0.038091 0.098118 0.889853 O\n0.538091 0.901882 0.610147 O\n0.961909 0.901882 0.110147 O\n0.132822 0.075039 0.355134 O\n0.632822 0.924961 0.144866 O\n0.867178 0.924961 0.644866 O\n0.367178 0.075039 0.855134 O\n0.632007 0.293287 0.460130 O\n0.461909 0.098118 0.389853 O\n0.367993 0.706713 0.539870 O\n0.867993 0.293287 0.960130 O\n0.756949 0.947364 0.477279 O\n0.628079 0.291691 0.145457 O\n0.871921 0.291691 0.645457 O\n0.371921 0.708309 0.854543 O\n0.739901 0.263746 0.811143 O\n0.239901 0.736254 0.688857 O\n0.260099 0.736254 0.188857 O\n0.760099 0.263746 0.311143 O\n0.744711 0.626154 0.807645 O\n0.244711 0.373846 0.692355 O\n0.255289 0.373846 0.192355 O\n0.755289 0.626154 0.307645 O\n0.245195 0.383259 0.868484 O\n0.745195 0.616741 0.631516 O\n0.754805 0.616741 0.131516 O\n0.254805 0.383259 0.368484 O\n0.761754 0.956399 0.800864 O\n0.261754 0.043601 0.699136 O\n0.238246 0.043601 0.199136 O\n0.738246 0.956399 0.300864 O\n0.746155 0.600328 0.973205 O\n0.246155 0.399672 0.526795 O\n0.253845 0.399672 0.026795 O\n0.753845 0.600328 0.473205 O\n0.743051 0.947364 0.977279 O\n0.243051 0.052636 0.522721 O\n0.256949 0.052636 0.022721 O\n0.128079 0.708309 0.354543 O\n",
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"volume": 895.8004124982069,
"volume_molar": 6.743295221162832,
"formula_full": "Be12 Si12 Mo8 O48",
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{
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"created_at": "2022-09-04T14:41:01.982881Z",
"structure_string": "Tl4 Co2 P8 H16 O32\n1.0\n-4.606670 1.112999 7.369829\n2.174784 -6.443886 7.320958\n7.429789 7.283437 -0.029370\nTl Co P H O\n4 2 8 16 32\ndirect\n0.703105 0.092809 0.798506 Tl\n0.202856 0.592597 0.298851 Tl\n0.797140 0.407410 0.701158 Tl\n0.296890 0.907188 0.201494 Tl\n0.500000 0.499999 0.000000 Co\n0.999998 0.000001 0.500000 Co\n0.316904 0.414812 0.670692 P\n0.816910 0.914814 0.170775 P\n0.183090 0.085186 0.829224 P\n0.683095 0.585190 0.329309 P\n0.094519 0.648000 0.856478 P\n0.594523 0.147889 0.356567 P\n0.405476 0.852110 0.643432 P\n0.905481 0.352001 0.143523 P\n0.359940 0.600156 0.626235 H\n0.859913 0.100180 0.126377 H\n0.140086 0.899823 0.873625 H\n0.640064 0.399845 0.373766 H\n0.374291 0.286517 0.989179 H\n0.874417 0.786458 0.489050 H\n0.125582 0.213542 0.510949 H\n0.625710 0.713483 0.010821 H\n0.377686 0.198703 0.460810 H\n0.877852 0.698652 0.960867 H\n0.122145 0.301350 0.039131 H\n0.622313 0.801298 0.539187 H\n0.509721 0.296250 0.130267 H\n0.009914 0.796124 0.630079 H\n0.990087 0.203874 0.369918 H\n0.490280 0.703749 0.869734 H\n0.475690 0.315155 0.035412 O\n0.975997 0.814869 0.535171 O\n0.024003 0.185130 0.464827 O\n0.524313 0.684844 0.964588 O\n0.470644 0.399881 0.787663 O\n0.970738 0.899922 0.287713 O\n0.029263 0.100077 0.712287 O\n0.529353 0.600119 0.212339 O\n0.313094 0.513711 0.575764 O\n0.812861 0.013868 0.075906 O\n0.187137 0.986136 0.924095 O\n0.686908 0.486289 0.424237 O\n0.300337 0.269064 0.581545 O\n0.800478 0.769043 0.081625 O\n0.199524 0.230956 0.918376 O\n0.699662 0.730938 0.418454 O\n0.142274 0.501280 0.732494 O\n0.642366 0.001073 0.232701 O\n0.357638 0.998926 0.767300 O\n0.857723 0.498724 0.267505 O\n0.230894 0.624341 0.984906 O\n0.730784 0.124208 0.485069 O\n0.269215 0.875793 0.514930 O\n0.769106 0.375660 0.015094 O\n0.923121 0.642177 0.868877 O\n0.422947 0.142274 0.368810 O\n0.577051 0.857726 0.631187 O\n0.076878 0.357822 0.131122 O\n0.061817 0.785335 0.801628 O\n0.562104 0.285147 0.301720 O\n0.437898 0.714849 0.698275 O\n0.938185 0.214666 0.198373 O\n",
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"formula_full": "Tl4 Co2 P8 H16 O32",
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{
"id": "mp-631542",
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"structure_string": "Ba1 Zr1 Ni1\n1.0\n0.000000 3.466796 3.466796\n3.466796 0.000000 3.466796\n3.466796 3.466796 0.000000\nBa Zr Ni\n1 1 1\ndirect\n0.500000 0.500000 0.500000 Ba\n0.000000 0.000000 0.000000 Zr\n0.750000 0.750000 0.750000 Ni\n",
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{
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"structure_string": "Gd6 Ge26 Os8\n1.0\n9.081530 0.000000 0.000000\n0.000000 9.081530 0.000000\n0.000000 0.000000 9.081530\nGd Ge Os\n6 26 8\ndirect\n0.000000 0.500000 0.750000 Gd\n0.500000 0.250000 0.000000 Gd\n0.750000 0.000000 0.500000 Gd\n0.000000 0.500000 0.250000 Gd\n0.500000 0.750000 0.000000 Gd\n0.250000 0.000000 0.500000 Gd\n0.500000 0.500000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.803262 0.353727 0.500000 Ge\n0.646273 0.500000 0.803262 Ge\n0.500000 0.196738 0.646273 Ge\n0.196738 0.646273 0.500000 Ge\n0.353727 0.500000 0.196738 Ge\n0.500000 0.803262 0.353727 Ge\n0.803262 0.646273 0.500000 Ge\n0.646273 0.500000 0.196738 Ge\n0.196738 0.353727 0.500000 Ge\n0.353727 0.500000 0.803262 Ge\n0.500000 0.803262 0.646273 Ge\n0.500000 0.196738 0.353727 Ge\n0.303262 0.000000 0.853727 Ge\n0.146273 0.303262 0.000000 Ge\n0.000000 0.146273 0.696738 Ge\n0.696738 0.000000 0.146273 Ge\n0.853727 0.696738 0.000000 Ge\n0.000000 0.853727 0.303262 Ge\n0.303262 0.000000 0.146273 Ge\n0.146273 0.696738 0.000000 Ge\n0.696738 0.000000 0.853727 Ge\n0.853727 0.303262 0.000000 Ge\n0.000000 0.146273 0.303262 Ge\n0.000000 0.853727 0.696738 Ge\n0.750000 0.250000 0.750000 Os\n0.250000 0.750000 0.250000 Os\n0.750000 0.750000 0.250000 Os\n0.250000 0.250000 0.750000 Os\n0.250000 0.750000 0.750000 Os\n0.750000 0.250000 0.250000 Os\n0.250000 0.250000 0.250000 Os\n0.750000 0.750000 0.750000 Os\n",
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{
"id": "mp-510625",
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"structure_string": "Cr2 Cu2 O4\n1.0\n-1.529063 -2.648413 0.000000\n1.529063 -2.648413 0.000000\n0.000000 1.765608 11.424401\nCr Cu O\n2 2 4\ndirect\n0.250000 0.250000 0.750000 Cr\n0.750000 0.750000 0.250000 Cr\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 Cu\n0.445956 0.445956 0.337867 O\n0.945956 0.945956 0.837867 O\n0.054044 0.054044 0.162133 O\n0.554044 0.554044 0.662133 O\n",
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{
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"structure_string": "Sr4 Cr4 Ga2 O14\n1.0\n-2.647042 2.680655 12.372690\n2.647042 -2.680655 12.372690\n2.647042 2.680655 -12.372690\nSr Cr Ga O\n4 4 2 14\ndirect\n0.335805 0.840661 0.488144 Sr\n0.664195 0.152339 0.504856 Sr\n0.852517 0.340661 0.504856 Sr\n0.147483 0.652339 0.488144 Sr\n0.571028 0.569411 0.991839 Cr\n0.922428 0.920811 0.991839 Cr\n0.077572 0.069411 0.998383 Cr\n0.428972 0.420811 0.998383 Cr\n0.680102 0.794554 0.974656 Ga\n0.319898 0.294554 0.114452 Ga\n0.175795 0.169371 0.498965 O\n0.648219 0.154823 0.303042 O\n0.170407 0.669371 0.993576 O\n0.147674 0.160987 0.952706 O\n0.327084 0.323941 0.492845 O\n0.331096 0.823941 0.996857 O\n0.351781 0.654823 0.506605 O\n0.829593 0.823170 0.498965 O\n0.824205 0.323170 0.993576 O\n0.708281 0.660987 0.013313 O\n0.852326 0.805032 0.013313 O\n0.291719 0.305032 0.952706 O\n0.672916 0.165761 0.996857 O\n0.668904 0.665761 0.492845 O\n",
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{
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