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{
"id": "mp-1901",
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"structure_string": "Na2 O4\n1.0\n3.474027 0.000000 0.000000\n0.000000 4.229644 0.000000\n0.000000 0.000000 5.674662\nNa O\n2 4\ndirect\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Na\n0.500000 0.384124 0.917941 O\n0.500000 0.615876 0.082059 O\n0.000000 0.115876 0.417941 O\n0.000000 0.884124 0.582059 O\n",
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{
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{
"id": "mp-1192000",
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"structure_string": "Cs4 H12 Au4 N4\n1.0\n3.588028 3.806276 0.000000\n-3.588028 3.806276 0.000000\n0.000000 1.233515 18.435543\nCs H Au N\n4 12 4 4\ndirect\n0.768915 0.016492 0.906145 Cs\n0.983508 0.231085 0.593855 Cs\n0.231085 0.983508 0.093855 Cs\n0.016492 0.768915 0.406145 Cs\n0.883142 0.660386 0.744662 H\n0.339614 0.116858 0.755338 H\n0.116858 0.339614 0.255338 H\n0.660386 0.883142 0.244662 H\n0.185166 0.571976 0.733850 H\n0.428024 0.814834 0.766150 H\n0.814834 0.428024 0.266150 H\n0.571976 0.185166 0.233850 H\n0.022410 0.470752 0.805830 H\n0.529248 0.977590 0.694170 H\n0.977590 0.529248 0.194170 H\n0.470752 0.022410 0.305830 H\n0.735143 0.491789 0.049227 Au\n0.508211 0.264857 0.450773 Au\n0.264857 0.508211 0.950773 Au\n0.491789 0.735143 0.549227 Au\n0.010720 0.505419 0.750674 N\n0.494581 0.989280 0.749326 N\n0.989280 0.494581 0.249326 N\n0.505419 0.010720 0.250674 N\n",
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{
"id": "mp-690708",
"created_at": "2022-09-04T14:43:11.739615Z",
"structure_string": "K4 Li4 P4 H8 O16 F4\n1.0\n7.598868 0.000000 0.000000\n0.000000 5.489951 0.000000\n0.000000 3.897832 11.950232\nK Li P H O F\n4 4 4 8 16 4\ndirect\n0.725423 0.676359 0.653471 K\n0.225423 0.323641 0.846529 K\n0.274577 0.323641 0.346529 K\n0.774577 0.676359 0.153471 K\n0.541431 0.818595 0.363594 Li\n0.041431 0.181405 0.136406 Li\n0.458569 0.181405 0.636406 Li\n0.958569 0.818595 0.863594 Li\n0.773914 0.262162 0.947185 P\n0.273914 0.737838 0.552815 P\n0.226086 0.737838 0.052815 P\n0.726086 0.262162 0.447185 P\n0.583043 0.153063 0.161786 H\n0.083043 0.846937 0.338214 H\n0.416957 0.846937 0.838214 H\n0.916957 0.153063 0.661786 H\n0.392163 0.040518 0.158362 H\n0.892163 0.959482 0.341638 H\n0.607837 0.959482 0.841638 H\n0.107837 0.040518 0.658362 H\n0.782146 0.003947 0.924558 O\n0.282146 0.996053 0.575442 O\n0.217854 0.996053 0.075442 O\n0.717854 0.003947 0.424558 O\n0.876080 0.476198 0.864175 O\n0.376080 0.523802 0.635825 O\n0.123920 0.523802 0.135825 O\n0.623920 0.476198 0.364175 O\n0.799179 0.239151 0.070785 O\n0.299179 0.760849 0.429215 O\n0.200821 0.760849 0.929215 O\n0.700821 0.239151 0.570785 O\n0.486332 0.061473 0.210233 O\n0.986332 0.938527 0.289767 O\n0.513668 0.938527 0.789767 O\n0.013668 0.061473 0.710233 O\n0.568697 0.345313 0.923003 F\n0.068697 0.654687 0.576997 F\n0.431303 0.654687 0.076997 F\n0.931303 0.345313 0.423003 F\n",
"nsites": 40,
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"elements": [
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"H",
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"F"
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"formula_full": "K4 Li4 P4 H8 O16 F4",
"formula_reduced": "KLiPH2O4F",
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"spacegroup": 14
},
{
"id": "mp-1198968",
"created_at": "2022-09-04T14:43:12.808879Z",
"structure_string": "Be8 P8 Pb4 O32\n1.0\n9.124960 0.000000 0.000000\n0.000000 8.178792 0.000000\n0.000000 0.016271 8.493853\nBe P Pb O\n8 8 4 32\ndirect\n0.193689 0.423454 0.064057 Be\n0.693689 0.576546 0.435943 Be\n0.806311 0.576546 0.935943 Be\n0.306311 0.423454 0.564057 Be\n0.418244 0.927606 0.273314 Be\n0.918244 0.072394 0.226686 Be\n0.581756 0.072394 0.726686 Be\n0.081756 0.927606 0.773314 Be\n0.913290 0.436131 0.231285 P\n0.413290 0.563869 0.268715 P\n0.086710 0.563869 0.768715 P\n0.586710 0.436131 0.731285 P\n0.196804 0.066119 0.067515 P\n0.696804 0.933881 0.432485 P\n0.803196 0.933881 0.932485 P\n0.303196 0.066119 0.567515 P\n0.592746 0.243669 0.106074 Pb\n0.092746 0.756331 0.393926 Pb\n0.407254 0.756331 0.893926 Pb\n0.907254 0.243669 0.606074 Pb\n0.073217 0.482556 0.196334 O\n0.573217 0.517444 0.303666 O\n0.926783 0.517444 0.803666 O\n0.426783 0.482556 0.696334 O\n0.815421 0.444890 0.083097 O\n0.315421 0.555110 0.416903 O\n0.184579 0.555110 0.916903 O\n0.684579 0.444890 0.583097 O\n0.898108 0.258654 0.299509 O\n0.398108 0.741346 0.200491 O\n0.101892 0.741346 0.700491 O\n0.601892 0.258654 0.799509 O\n0.360735 0.446188 0.136755 O\n0.860735 0.553812 0.363245 O\n0.639265 0.553812 0.863245 O\n0.139265 0.446188 0.636755 O\n0.357057 0.046372 0.130355 O\n0.857057 0.953628 0.369645 O\n0.642943 0.953628 0.869645 O\n0.142943 0.046372 0.630355 O\n0.820675 0.062196 0.067057 O\n0.320675 0.937804 0.432943 O\n0.179325 0.937804 0.932943 O\n0.679325 0.062196 0.567057 O\n0.588010 0.979712 0.297827 O\n0.088010 0.020288 0.202173 O\n0.411990 0.020288 0.702173 O\n0.911990 0.979712 0.797827 O\n0.169224 0.238551 0.004990 O\n0.669224 0.761449 0.495010 O\n0.830776 0.761449 0.995010 O\n0.330776 0.238551 0.504990 O\n",
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"formula_full": "Be8 P8 Pb4 O32",
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{
"id": "mp-16475",
"created_at": "2022-09-04T14:43:16.321018Z",
"structure_string": "Sr22 Sb20\n1.0\n-6.283637 6.283637 9.243327\n6.283637 -6.283637 9.243327\n6.283637 6.283637 -9.243327\nSr Sb\n22 20\ndirect\n0.810277 0.060621 0.250344 Sr\n0.810277 0.559933 0.749656 Sr\n0.060621 0.810277 0.250344 Sr\n0.559933 0.810277 0.749656 Sr\n0.189723 0.939379 0.749656 Sr\n0.189723 0.440067 0.250344 Sr\n0.939379 0.189723 0.749656 Sr\n0.440067 0.189723 0.250344 Sr\n0.169106 0.169106 0.338211 Sr\n0.830894 0.830894 0.661789 Sr\n0.169106 0.830894 0.000000 Sr\n0.830894 0.169106 0.000000 Sr\n0.655275 0.655275 0.000000 Sr\n0.344725 0.344725 0.000000 Sr\n0.604870 0.939581 0.334711 Sr\n0.604870 0.270159 0.665289 Sr\n0.939581 0.604870 0.334711 Sr\n0.270159 0.604870 0.665289 Sr\n0.395130 0.060419 0.665289 Sr\n0.395130 0.729841 0.334711 Sr\n0.060419 0.395130 0.665289 Sr\n0.729841 0.395130 0.334711 Sr\n0.353690 0.000000 0.353690 Sb\n0.646310 0.000000 0.646310 Sb\n0.000000 0.646310 0.646310 Sb\n0.000000 0.353690 0.353690 Sb\n0.878099 0.878099 0.000000 Sb\n0.121901 0.121901 0.000000 Sb\n0.378804 0.378804 0.757608 Sb\n0.621196 0.621196 0.242392 Sb\n0.378804 0.621196 0.000000 Sb\n0.621196 0.378804 0.000000 Sb\n0.750000 0.250000 0.500000 Sb\n0.250000 0.750000 0.500000 Sb\n0.889089 0.889089 0.419472 Sb\n0.469617 0.469617 0.580528 Sb\n0.889089 0.469617 0.000000 Sb\n0.469617 0.889089 0.000000 Sb\n0.110911 0.110911 0.580528 Sb\n0.530383 0.530383 0.419472 Sb\n0.110911 0.530383 0.000000 Sb\n0.530383 0.110911 0.000000 Sb\n",
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"formula_full": "Sr22 Sb20",
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{
"id": "mp-569247",
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"structure_string": "Zr1 Fe2 Si2\n1.0\n-1.925428 1.925428 4.668282\n1.925428 -1.925428 4.668282\n1.925428 1.925428 -4.668282\nZr Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.750000 0.250000 0.500000 Fe\n0.250000 0.750000 0.500000 Fe\n0.371572 0.371572 0.000000 Si\n0.628428 0.628428 0.000000 Si\n",
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{
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"created_at": "2022-09-04T14:43:16.372463Z",
"structure_string": "Cd2 Ag4 Ge2 S8\n1.0\n6.714564 0.000000 0.000000\n0.000000 7.134033 0.000000\n0.000000 0.000000 7.915235\nCd Ag Ge S\n2 4 2 8\ndirect\n0.015789 0.145034 0.000000 Cd\n0.515789 0.854966 0.500000 Cd\n0.495608 0.321050 0.243513 Ag\n0.495608 0.321050 0.756487 Ag\n0.995608 0.678950 0.743513 Ag\n0.995608 0.678950 0.256487 Ag\n0.012288 0.174760 0.500000 Ge\n0.512288 0.825240 0.000000 Ge\n0.176518 0.820725 0.000000 S\n0.618659 0.666665 0.768960 S\n0.629972 0.120202 0.000000 S\n0.676518 0.179275 0.500000 S\n0.118659 0.333335 0.731040 S\n0.618659 0.666665 0.231040 S\n0.129972 0.879798 0.500000 S\n0.118659 0.333335 0.268960 S\n",
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{
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"structure_string": "Li4 Pd2 F12\n1.0\n4.744661 0.000000 0.000000\n0.000000 4.744661 0.000000\n0.000000 0.000000 9.255822\nLi Pd F\n4 2 12\ndirect\n0.000000 0.000000 0.335958 Li\n0.500000 0.500000 0.835958 Li\n0.000000 0.000000 0.664042 Li\n0.500000 0.500000 0.164042 Li\n0.500000 0.500000 0.500000 Pd\n0.000000 0.000000 0.000000 Pd\n0.308633 0.691367 0.658899 F\n0.191367 0.191367 0.841101 F\n0.708936 0.291064 0.000000 F\n0.791064 0.791064 0.500000 F\n0.291064 0.708936 0.000000 F\n0.208936 0.208936 0.500000 F\n0.191367 0.191367 0.158899 F\n0.308633 0.691367 0.341101 F\n0.808633 0.808633 0.841101 F\n0.691367 0.308633 0.658899 F\n0.808633 0.808633 0.158899 F\n0.691367 0.308633 0.341101 F\n",
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{
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"structure_string": "Mg2 Pd6\n1.0\n-1.988653 1.988653 7.948715\n1.988653 -1.988653 7.948715\n1.988653 1.988653 -7.948715\nMg Pd\n2 6\ndirect\n0.123688 0.123688 0.000000 Mg\n0.876312 0.876312 0.000000 Mg\n0.000000 0.500000 0.500000 Pd\n0.500000 0.000000 0.500000 Pd\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n0.374429 0.374429 0.000000 Pd\n0.625571 0.625571 0.000000 Pd\n",
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