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{
"id": "mp-769466",
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{
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},
{
"id": "mp-1110597",
"created_at": "2022-09-04T14:39:24.292644Z",
"structure_string": "Rb2 V1 Ag1 F6\n1.0\n6.245713 0.000000 0.000000\n3.122857 5.408946 0.000000\n3.122857 1.802982 5.099603\nRb V Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 Ag\n0.222533 0.777467 0.222533 F\n0.777467 0.777467 0.222533 F\n0.777467 0.222533 0.777467 F\n0.777467 0.222533 0.222533 F\n0.222533 0.777467 0.777467 F\n0.222533 0.222533 0.777467 F\n",
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},
{
"id": "mp-758943",
"created_at": "2022-09-04T14:39:24.293803Z",
"structure_string": "Ti3 Fe2 P6 W1 O24\n1.0\n7.437100 -4.372747 0.000000\n7.437100 4.372747 0.000000\n4.866082 0.000000 7.124087\nTi Fe P W O\n3 2 6 1 24\ndirect\n0.644905 0.644905 0.644905 Ti\n0.856104 0.856104 0.856104 Ti\n0.355190 0.355190 0.355190 Ti\n0.997868 0.997868 0.997868 Fe\n0.501160 0.501160 0.501160 Fe\n0.953708 0.251207 0.547750 P\n0.547750 0.953708 0.251207 P\n0.251207 0.547750 0.953708 P\n0.742945 0.462048 0.043714 P\n0.462048 0.043714 0.742945 P\n0.043714 0.742945 0.462048 P\n0.139699 0.139699 0.139699 W\n0.498886 0.117698 0.314039 O\n0.314039 0.498886 0.117698 O\n0.117698 0.314039 0.498886 O\n0.942393 0.090665 0.741745 O\n0.982781 0.188594 0.397335 O\n0.759788 0.412740 0.568000 O\n0.741745 0.942393 0.090665 O\n0.568000 0.759788 0.412740 O\n0.814113 0.616602 0.999920 O\n0.412740 0.568000 0.759788 O\n0.896063 0.265794 0.051958 O\n0.616602 0.999920 0.814113 O\n0.397335 0.982781 0.188594 O\n0.090665 0.741745 0.942393 O\n0.584884 0.448989 0.238599 O\n0.188594 0.397335 0.982781 O\n0.448989 0.238599 0.584884 O\n0.265794 0.051958 0.896063 O\n0.238599 0.584884 0.448989 O\n0.999920 0.814113 0.616602 O\n0.051958 0.896063 0.265794 O\n0.886176 0.672930 0.513012 O\n0.672930 0.513012 0.886176 O\n0.513012 0.886176 0.672930 O\n",
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"formula_full": "Ti3 Fe2 P6 W1 O24",
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"spacegroup": 146
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{
"id": "mp-1210802",
"created_at": "2022-09-04T14:39:24.295206Z",
"structure_string": "Tb12 Ga60 Ru16\n1.0\n8.809108 0.000000 0.000000\n0.000000 9.682026 0.000000\n0.000000 0.000000 17.824223\nTb Ga Ru\n12 60 16\ndirect\n0.375671 0.250000 0.168058 Tb\n0.624329 0.750000 0.831942 Tb\n0.124329 0.750000 0.668058 Tb\n0.875671 0.250000 0.331942 Tb\n0.375323 0.250000 0.748335 Tb\n0.624677 0.750000 0.251665 Tb\n0.124677 0.750000 0.248335 Tb\n0.875323 0.250000 0.751665 Tb\n0.125765 0.250000 0.524593 Tb\n0.874235 0.750000 0.475407 Tb\n0.374235 0.750000 0.024593 Tb\n0.625765 0.250000 0.975407 Tb\n0.126474 0.060496 0.252800 Ga\n0.873526 0.939504 0.747200 Ga\n0.373526 0.939504 0.752800 Ga\n0.873526 0.560496 0.747200 Ga\n0.626474 0.060496 0.247200 Ga\n0.126474 0.439504 0.252800 Ga\n0.626474 0.439504 0.247200 Ga\n0.373526 0.560496 0.752800 Ga\n0.007518 0.250000 0.168379 Ga\n0.992482 0.750000 0.831621 Ga\n0.492482 0.750000 0.668379 Ga\n0.507518 0.250000 0.331621 Ga\n0.132825 0.250000 0.041788 Ga\n0.867175 0.750000 0.958212 Ga\n0.367175 0.750000 0.541788 Ga\n0.632825 0.250000 0.458212 Ga\n0.374465 0.577289 0.331573 Ga\n0.625535 0.422711 0.668427 Ga\n0.125535 0.422711 0.831573 Ga\n0.625535 0.077289 0.668427 Ga\n0.874465 0.577289 0.168427 Ga\n0.374465 0.922711 0.331573 Ga\n0.874465 0.922711 0.168427 Ga\n0.125535 0.077289 0.831573 Ga\n0.221343 0.250000 0.359161 Ga\n0.778657 0.750000 0.640839 Ga\n0.278657 0.750000 0.859161 Ga\n0.721343 0.250000 0.140839 Ga\n0.124133 0.086852 0.671788 Ga\n0.875867 0.913148 0.328212 Ga\n0.375867 0.913148 0.171788 Ga\n0.875867 0.586852 0.328212 Ga\n0.624133 0.086852 0.828212 Ga\n0.124133 0.413148 0.671788 Ga\n0.624133 0.413148 0.828212 Ga\n0.375867 0.586852 0.171788 Ga\n0.377518 0.061218 0.465264 Ga\n0.622482 0.938782 0.534736 Ga\n0.122482 0.938782 0.965264 Ga\n0.622482 0.561218 0.534736 Ga\n0.877518 0.061218 0.034736 Ga\n0.377518 0.438782 0.465264 Ga\n0.877518 0.438782 0.034736 Ga\n0.122482 0.561218 0.965264 Ga\n0.451039 0.250000 0.577627 Ga\n0.548961 0.750000 0.422373 Ga\n0.048961 0.750000 0.077627 Ga\n0.951039 0.250000 0.922373 Ga\n0.304522 0.250000 0.918129 Ga\n0.695478 0.750000 0.081871 Ga\n0.195478 0.750000 0.418129 Ga\n0.804522 0.250000 0.581871 Ga\n0.373707 0.068641 0.032912 Ga\n0.626293 0.931359 0.967088 Ga\n0.126293 0.931359 0.532912 Ga\n0.626293 0.568641 0.967088 Ga\n0.873707 0.068641 0.467088 Ga\n0.373707 0.431359 0.032912 Ga\n0.873707 0.431359 0.467088 Ga\n0.126293 0.568641 0.532912 Ga\n0.117823 0.003781 0.390220 Ru\n0.882177 0.996219 0.609780 Ru\n0.382177 0.996219 0.890220 Ru\n0.882177 0.503781 0.609780 Ru\n0.617823 0.003781 0.109780 Ru\n0.117823 0.496219 0.390220 Ru\n0.617823 0.496219 0.109780 Ru\n0.382177 0.503781 0.890220 Ru\n0.130185 0.004808 0.113353 Ru\n0.869815 0.995192 0.886647 Ru\n0.369815 0.995192 0.613353 Ru\n0.869815 0.504808 0.886647 Ru\n0.630185 0.004808 0.386647 Ru\n0.130185 0.495192 0.113353 Ru\n0.630185 0.495192 0.386647 Ru\n0.369815 0.504808 0.613353 Ru\n",
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"formula_full": "Tb12 Ga60 Ru16",
"formula_reduced": "Tb3Ga15Ru4",
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{
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"structure_string": "K8 Ba4 Sn2 Bi8\n1.0\n5.843451 9.974121 0.000000\n-5.843451 9.974121 0.000000\n0.000000 0.141120 8.439777\nK Ba Sn Bi\n8 4 2 8\ndirect\n0.959722 0.520465 0.372777 K\n0.520465 0.959722 0.372777 K\n0.707882 0.140564 0.180392 K\n0.140564 0.707882 0.180392 K\n0.147931 0.147931 0.187129 K\n0.290914 0.856477 0.671247 K\n0.856477 0.290914 0.671247 K\n0.853717 0.853717 0.662677 K\n0.521630 0.521630 0.370881 Ba\n0.034699 0.483894 0.871505 Ba\n0.483894 0.034699 0.871505 Ba\n0.483034 0.483034 0.871000 Ba\n0.332443 0.332443 0.498365 Sn\n0.666205 0.666205 0.000320 Sn\n0.382069 0.805899 0.103219 Bi\n0.805899 0.382069 0.103219 Bi\n0.807725 0.807725 0.089144 Bi\n0.613351 0.198391 0.608099 Bi\n0.198391 0.613351 0.608099 Bi\n0.193299 0.193299 0.618951 Bi\n0.336707 0.336707 0.140474 Bi\n0.663596 0.663596 0.649399 Bi\n",
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"formula_full": "K8 Ba4 Sn2 Bi8",
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{
"id": "mp-1209022",
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"structure_string": "Yb6 Np1 O12\n1.0\n-0.955411 -2.738843 -9.253271\n-3.272106 -8.282543 -2.564677\n-2.922074 8.437193 1.588154\nYb Np O\n6 1 12\ndirect\n0.067246 0.827788 0.238906 Yb\n0.932754 0.172212 0.761094 Yb\n0.671685 0.901803 0.111290 Yb\n0.328315 0.098197 0.888710 Yb\n0.857930 0.576653 0.654927 Yb\n0.142070 0.423347 0.345073 Yb\n0.000000 0.000000 0.000000 Np\n0.969248 0.755654 0.659980 O\n0.030752 0.244346 0.340020 O\n0.168146 0.735601 0.968814 O\n0.831854 0.264399 0.031186 O\n0.843702 0.939035 0.041427 O\n0.156298 0.060965 0.958573 O\n0.593973 0.804867 0.775411 O\n0.406027 0.195133 0.224589 O\n0.853324 0.499821 0.837470 O\n0.146676 0.500179 0.162530 O\n0.840725 0.973244 0.401734 O\n0.159275 0.026756 0.598266 O\n",
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{
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"structure_string": "Nd1 Ga2 Pt3\n1.0\n2.806676 -4.861306 0.000000\n2.806676 4.861306 0.000000\n0.000000 0.000000 4.068311\nNd Ga Pt\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Nd\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.500000 0.500000 0.500000 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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{
"id": "mp-1223294",
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"structure_string": "La3 Al1 Fe4 O12\n1.0\n7.979331 0.000000 0.000000\n0.000000 5.466147 0.000000\n0.000000 0.334675 5.555684\nLa Al Fe O\n3 1 4 12\ndirect\n0.000000 0.012329 0.950681 La\n0.500000 0.509713 0.546289 La\n0.500000 0.987960 0.033247 La\n0.000000 0.512849 0.482133 Al\n0.245372 0.510231 0.024832 Fe\n0.758222 0.001410 0.490336 Fe\n0.754628 0.510231 0.024832 Fe\n0.241778 0.001410 0.490336 Fe\n0.225893 0.176429 0.167644 O\n0.833576 0.328168 0.645255 O\n0.727230 0.804295 0.802480 O\n0.309007 0.712121 0.291602 O\n0.272770 0.804295 0.802480 O\n0.690993 0.712121 0.291602 O\n0.774107 0.176429 0.167644 O\n0.166424 0.328168 0.645255 O\n0.000000 0.551703 0.139078 O\n0.000000 0.847238 0.519744 O\n0.500000 0.432236 0.972021 O\n0.500000 0.080661 0.512509 O\n",
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"formula_full": "Li4 Mn6 P8 O28",
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{
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"structure_string": "Ca2 Ti2 Fe2 P6 O24\n1.0\n7.729447 -4.331904 0.000000\n7.729447 4.331904 0.000000\n5.301668 0.000000 7.099440\nCa Ti Fe P O\n2 2 2 6 24\ndirect\n0.997781 0.997781 0.997781 Ca\n0.497781 0.497781 0.497781 Ca\n0.147489 0.147489 0.147489 Ti\n0.647489 0.647489 0.647489 Ti\n0.352228 0.352228 0.352228 Fe\n0.852228 0.852228 0.852228 Fe\n0.459763 0.041541 0.750866 P\n0.750866 0.459763 0.041541 P\n0.041541 0.750866 0.459763 P\n0.959763 0.250866 0.541541 P\n0.250866 0.541541 0.959763 P\n0.541541 0.959763 0.250866 P\n0.507087 0.120757 0.296790 O\n0.120757 0.296790 0.507087 O\n0.271797 0.058318 0.921572 O\n0.296790 0.507087 0.120757 O\n0.620757 0.007087 0.796790 O\n0.436935 0.226750 0.582998 O\n0.921572 0.271797 0.058318 O\n0.582998 0.436935 0.226750 O\n0.998631 0.206429 0.372269 O\n0.226750 0.582998 0.436935 O\n0.936935 0.082998 0.726750 O\n0.206429 0.372269 0.998631 O\n0.796790 0.620757 0.007087 O\n0.058318 0.921572 0.271797 O\n0.771797 0.421572 0.558318 O\n0.007087 0.796790 0.620757 O\n0.421572 0.558318 0.771797 O\n0.082998 0.726750 0.936935 O\n0.558318 0.771797 0.421572 O\n0.372269 0.998631 0.206429 O\n0.706429 0.498631 0.872269 O\n0.726750 0.936935 0.082998 O\n0.872269 0.706429 0.498631 O\n0.498631 0.872269 0.706429 O\n",
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]
}