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{
"id": "mp-1031973",
"created_at": "2022-09-04T14:44:21.578957Z",
"structure_string": "Y1 Mg6 Bi1 O8\n1.0\n9.431534 0.000000 -0.000000\n0.000000 4.606554 -0.000000\n0.000000 0.000000 4.606554\nY Mg Bi O\n1 6 1 8\ndirect\n-0.000000 -0.000000 -0.000000 Y\n-0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.254464 -0.000000 0.500000 Mg\n0.745536 0.000000 0.500000 Mg\n0.254464 0.500000 0.000000 Mg\n0.745536 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Bi\n0.231647 -0.000000 0.000000 O\n0.768353 0.000000 -0.000000 O\n0.248430 0.500000 0.500000 O\n0.751570 0.500000 0.500000 O\n-0.000000 -0.000000 0.500000 O\n0.500000 -0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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{
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"structure_string": "Zr4 Cr4 Cu4 S16\n1.0\n3.557704 0.000000 0.000000\n0.000000 11.163547 0.000000\n0.000000 0.000000 12.807446\nZr Cr Cu S\n4 4 4 16\ndirect\n0.500000 0.940342 0.867320 Zr\n0.500000 0.440342 0.132680 Zr\n0.500000 0.910641 0.338710 Zr\n0.500000 0.410641 0.661290 Zr\n0.000000 0.056013 0.636939 Cr\n0.000000 0.556013 0.363061 Cr\n0.000000 0.086226 0.157492 Cr\n0.000000 0.586226 0.842508 Cr\n0.500000 0.753651 0.092055 Cu\n0.000000 0.247804 0.404911 Cu\n0.000000 0.747804 0.595089 Cu\n0.500000 0.253651 0.907945 Cu\n0.000000 0.969733 0.466247 S\n0.500000 0.041631 0.042573 S\n0.500000 0.541631 0.957427 S\n0.000000 0.469733 0.533753 S\n0.500000 0.908168 0.669500 S\n0.000000 0.099377 0.819396 S\n0.000000 0.599377 0.180604 S\n0.500000 0.408168 0.330500 S\n0.000000 0.875057 0.196167 S\n0.500000 0.132684 0.281432 S\n0.500000 0.632684 0.718568 S\n0.000000 0.375057 0.803833 S\n0.000000 0.785333 0.926515 S\n0.500000 0.193341 0.585436 S\n0.500000 0.693341 0.414564 S\n0.000000 0.285333 0.073485 S\n",
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{
"id": "mp-768770",
"created_at": "2022-09-04T14:44:21.591457Z",
"structure_string": "Mg3 Re6 O24\n1.0\n5.218136 -9.038076 0.000000\n5.218136 9.038076 0.000000\n0.000000 0.000000 5.127396\nMg Re O\n3 6 24\ndirect\n0.333333 0.666667 0.361736 Mg\n0.000000 0.000000 0.862719 Mg\n0.666667 0.333333 0.361736 Mg\n0.000000 0.682686 0.487826 Re\n0.000000 0.355152 0.006434 Re\n0.317314 0.317314 0.487826 Re\n0.644848 0.644848 0.006434 Re\n0.355152 0.000000 0.006434 Re\n0.682686 0.000000 0.487826 Re\n0.000000 0.836967 0.628309 O\n0.000000 0.693607 0.152219 O\n0.162221 0.680176 0.576645 O\n0.000000 0.369930 0.671526 O\n0.159063 0.510624 0.131997 O\n0.000000 0.189559 0.077124 O\n0.351561 0.840937 0.131997 O\n0.319824 0.482045 0.576645 O\n0.163033 0.163033 0.628309 O\n0.306393 0.306393 0.152219 O\n0.517955 0.837779 0.576645 O\n0.489376 0.648439 0.131997 O\n0.189559 0.000000 0.077124 O\n0.482045 0.319824 0.576645 O\n0.630070 0.630070 0.671526 O\n0.648439 0.489376 0.131997 O\n0.810441 0.810441 0.077124 O\n0.369930 0.000000 0.671526 O\n0.510624 0.159063 0.131997 O\n0.837779 0.517955 0.576645 O\n0.680176 0.162221 0.576645 O\n0.840937 0.351561 0.131997 O\n0.693607 0.000000 0.152219 O\n0.836967 0.000000 0.628309 O\n",
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"elements": [
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{
"id": "mp-504827",
"created_at": "2022-09-04T14:44:21.597538Z",
"structure_string": "Ga10 Ge1 Pb3 O20\n1.0\n5.931682 7.918443 0.000000\n-5.931682 7.918443 0.000000\n0.000000 1.679170 4.900469\nGa Ge Pb O\n10 1 3 20\ndirect\n0.633979 0.366021 0.500000 Ga\n0.366021 0.633979 0.500000 Ga\n0.279842 0.007403 0.371967 Ga\n0.992597 0.720158 0.628033 Ga\n0.720158 0.992597 0.628033 Ga\n0.007403 0.279842 0.371967 Ga\n0.578037 0.150510 0.107580 Ga\n0.849490 0.421963 0.892420 Ga\n0.421963 0.849490 0.892420 Ga\n0.150510 0.578037 0.107580 Ga\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Pb\n0.722393 0.722393 0.218408 Pb\n0.277607 0.277607 0.781592 Pb\n0.566431 0.566431 0.251544 O\n0.433569 0.433569 0.748456 O\n0.097182 0.097182 0.304465 O\n0.902818 0.902818 0.695535 O\n0.396157 0.124057 0.132026 O\n0.875943 0.603843 0.867974 O\n0.603843 0.875943 0.867974 O\n0.124057 0.396157 0.132026 O\n0.338767 0.828079 0.268100 O\n0.171921 0.661233 0.731900 O\n0.661233 0.171921 0.731900 O\n0.828079 0.338767 0.268100 O\n0.991800 0.281928 0.734662 O\n0.718072 0.008200 0.265338 O\n0.008200 0.718072 0.265338 O\n0.281928 0.991800 0.734662 O\n0.683829 0.454702 0.757609 O\n0.545298 0.316171 0.242391 O\n0.316171 0.545298 0.242391 O\n0.454702 0.683829 0.757609 O\n",
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"elements": [
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"density": 6.173480010701672,
"density_atomic": 0.07385733280954279,
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"formula_full": "Ga10 Ge1 Pb3 O20",
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"formula_anonymous": "AB3C10D20",
"energy": -217.9737492,
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"spacegroup": 12
},
{
"id": "mp-1200998",
"created_at": "2022-09-04T14:44:21.643938Z",
"structure_string": "Ba8 H32 Pt4 O32\n1.0\n8.706978 0.000000 0.000000\n0.000000 8.924048 0.000000\n0.000000 0.000000 10.468902\nBa H Pt O\n8 32 4 32\ndirect\n0.780267 0.282726 0.225886 Ba\n0.280267 0.217274 0.774114 Ba\n0.219733 0.782726 0.274114 Ba\n0.719733 0.717274 0.725886 Ba\n0.219733 0.717274 0.774114 Ba\n0.719733 0.782726 0.225886 Ba\n0.780267 0.217274 0.725886 Ba\n0.280267 0.282726 0.274114 Ba\n0.526592 0.514370 0.409588 H\n0.026592 0.985630 0.590412 H\n0.473408 0.014370 0.090412 H\n0.973408 0.485630 0.909588 H\n0.473408 0.485630 0.590412 H\n0.973408 0.014370 0.409588 H\n0.526592 0.985630 0.909588 H\n0.026592 0.514370 0.090412 H\n0.513867 0.015992 0.262085 H\n0.013867 0.484008 0.737915 H\n0.486133 0.515992 0.237915 H\n0.986133 0.984008 0.762085 H\n0.486133 0.984008 0.737915 H\n0.986133 0.515992 0.262085 H\n0.513867 0.484008 0.762085 H\n0.013867 0.015992 0.237915 H\n0.714629 0.043975 0.992467 H\n0.214629 0.456025 0.007533 H\n0.285371 0.543975 0.507533 H\n0.785371 0.956025 0.492467 H\n0.285371 0.956025 0.007533 H\n0.785371 0.543975 0.992467 H\n0.714629 0.456025 0.492467 H\n0.214629 0.043975 0.507533 H\n0.023788 0.219080 0.505207 H\n0.523788 0.280920 0.494793 H\n0.976212 0.719080 0.994793 H\n0.476212 0.780920 0.005207 H\n0.976212 0.780920 0.494793 H\n0.476212 0.719080 0.505207 H\n0.023788 0.280920 0.005207 H\n0.523788 0.219080 0.994793 H\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.558909 0.419693 0.371616 O\n0.058909 0.080307 0.628384 O\n0.441091 0.919693 0.128384 O\n0.941091 0.580307 0.871616 O\n0.441091 0.580307 0.628384 O\n0.941091 0.919693 0.371616 O\n0.558909 0.080307 0.871616 O\n0.058909 0.419693 0.128384 O\n0.576379 0.071861 0.326430 O\n0.076379 0.428139 0.673570 O\n0.423621 0.571861 0.173570 O\n0.923621 0.928139 0.826430 O\n0.423621 0.928139 0.673570 O\n0.923621 0.571861 0.326430 O\n0.576379 0.428139 0.826430 O\n0.076379 0.071861 0.173570 O\n0.781998 0.028055 0.067776 O\n0.281998 0.471945 0.932224 O\n0.218002 0.528055 0.432224 O\n0.718002 0.971945 0.567776 O\n0.218002 0.971945 0.932224 O\n0.718002 0.528055 0.067776 O\n0.781998 0.471945 0.567776 O\n0.281998 0.028055 0.432224 O\n0.001057 0.285163 0.430056 O\n0.501057 0.214837 0.569944 O\n0.998943 0.785163 0.069944 O\n0.498943 0.714837 0.930056 O\n0.998943 0.714837 0.569944 O\n0.498943 0.785163 0.430056 O\n0.001057 0.214837 0.930056 O\n0.501057 0.285163 0.069944 O\n",
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"formula_full": "Ba8 H32 Pt4 O32",
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{
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"structure_string": "K1 Mg14 Ni1\n1.0\n6.379521 0.000000 -0.000000\n-3.189761 5.524827 -0.000000\n0.000000 0.000000 10.525764\nK Mg Ni\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.155678 0.827838 0.125000 Mg\n0.173315 0.836657 0.625000 Mg\n0.672162 0.344322 0.125000 Mg\n0.663343 0.326685 0.625000 Mg\n0.672162 0.827838 0.125000 Mg\n0.663343 0.836657 0.625000 Mg\n0.329739 0.170261 0.346020 Mg\n0.329739 0.170261 0.903980 Mg\n0.329739 0.659479 0.346020 Mg\n0.329739 0.659479 0.903980 Mg\n0.840521 0.170261 0.346020 Mg\n0.840521 0.170261 0.903980 Mg\n0.833333 0.666667 0.384375 Mg\n0.833333 0.666667 0.865625 Mg\n0.166667 0.333333 0.125000 Ni\n",
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{
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"structure_string": "Sr4 Li1 Y2 Ru2 O12\n1.0\n5.935658 -0.036442 -0.029626\n-0.037234 5.911795 0.005623\n-0.009514 0.007772 8.286046\nSr Li Y Ru O\n4 1 2 2 12\ndirect\n0.498086 0.577753 0.245744 Sr\n0.042576 0.969382 0.270907 Sr\n0.007307 0.958350 0.752604 Sr\n0.487465 0.467015 0.757461 Sr\n0.673340 0.184107 0.235347 Li\n0.503605 0.998219 0.513755 Y\n0.996825 0.491625 0.000086 Y\n0.496543 0.001844 0.994098 Ru\n0.998590 0.492981 0.499472 Ru\n0.923339 0.503194 0.731495 O\n0.580103 0.022310 0.767213 O\n0.074296 0.501389 0.265132 O\n0.440334 0.986374 0.241212 O\n0.791877 0.761470 0.466765 O\n0.675490 0.299092 0.035623 O\n0.200672 0.226762 0.538945 O\n0.300272 0.723388 0.962868 O\n0.223580 0.192006 0.962532 O\n0.260209 0.708485 0.536469 O\n0.776266 0.815754 0.039467 O\n0.736724 0.285168 0.440615 O\n",
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{
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{
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