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{
"id": "mp-1038312",
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"structure_string": "Mg30 Al1 Zn1 O32\n1.0\n8.547384 0.000000 0.000000\n0.000000 8.547384 0.000000\n0.000000 0.000000 8.544986\nMg Al Zn O\n30 1 1 32\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.251257 0.251257 0.000000 Mg\n0.748743 0.251257 0.000000 Mg\n0.251257 0.748743 0.000000 Mg\n0.748743 0.748743 0.000000 Mg\n0.250754 0.250754 0.500000 Mg\n0.749246 0.250754 0.500000 Mg\n0.250754 0.749246 0.500000 Mg\n0.749246 0.749246 0.500000 Mg\n0.250981 0.000000 0.250544 Mg\n0.749019 0.000000 0.250544 Mg\n0.250856 0.500000 0.250134 Mg\n0.749144 0.500000 0.250134 Mg\n0.250981 0.000000 0.749456 Mg\n0.749019 0.000000 0.749456 Mg\n0.250856 0.500000 0.749866 Mg\n0.749144 0.500000 0.749866 Mg\n0.000000 0.250981 0.250544 Mg\n0.500000 0.250856 0.250134 Mg\n0.000000 0.749019 0.250544 Mg\n0.500000 0.749144 0.250134 Mg\n0.000000 0.250981 0.749456 Mg\n0.500000 0.250856 0.749866 Mg\n0.000000 0.749019 0.749456 Mg\n0.500000 0.749144 0.749866 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Zn\n0.000000 0.000000 0.235328 O\n0.500000 0.000000 0.248932 O\n0.000000 0.500000 0.248932 O\n0.500000 0.500000 0.256374 O\n0.000000 0.000000 0.764672 O\n0.500000 0.000000 0.751068 O\n0.000000 0.500000 0.751068 O\n0.500000 0.500000 0.743626 O\n0.249544 0.249544 0.249619 O\n0.750456 0.249544 0.249619 O\n0.249544 0.750456 0.249619 O\n0.750456 0.750456 0.249619 O\n0.249544 0.249544 0.750381 O\n0.750456 0.249544 0.750381 O\n0.249544 0.750456 0.750381 O\n0.750456 0.750456 0.750381 O\n0.233341 0.000000 0.000000 O\n0.766659 0.000000 0.000000 O\n0.240375 0.500000 0.000000 O\n0.759625 0.500000 0.000000 O\n0.247168 0.000000 0.500000 O\n0.752833 0.000000 0.500000 O\n0.248325 0.500000 0.500000 O\n0.751675 0.500000 0.500000 O\n0.000000 0.233341 0.000000 O\n0.500000 0.240375 0.000000 O\n0.000000 0.766659 0.000000 O\n0.500000 0.759625 0.000000 O\n0.000000 0.247168 0.500000 O\n0.500000 0.248325 0.500000 O\n0.000000 0.752833 0.500000 O\n0.500000 0.751675 0.500000 O\n",
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{
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"structure_string": "Li8 Mn4 O8 F4\n1.0\n5.114944 0.014437 -0.079760\n-2.544874 4.537129 0.031122\n-1.870503 -0.023935 9.737523\nLi Mn O F\n8 4 8 4\ndirect\n0.000009 0.499994 0.000005 Li\n0.500022 0.500002 0.500007 Li\n0.134783 0.818566 0.495163 Li\n0.865276 0.181429 0.504824 Li\n0.299311 0.127916 0.002674 Li\n0.700748 0.872082 0.997330 Li\n0.055063 0.145795 0.252660 Li\n0.944952 0.854208 0.747353 Li\n0.763510 0.504036 0.247659 Mn\n0.410232 0.832560 0.250380 Mn\n0.236430 0.495958 0.752339 Mn\n0.589749 0.167474 0.749622 Mn\n0.060763 0.826477 0.127908 O\n0.939236 0.173536 0.872091 O\n0.315882 0.835656 0.853938 O\n0.684113 0.164354 0.146058 O\n0.128657 0.523076 0.362586 O\n0.871320 0.476928 0.637402 O\n0.238933 0.202184 0.641789 O\n0.761058 0.797815 0.358211 O\n0.553782 0.833408 0.613138 F\n0.446238 0.166600 0.386869 F\n0.620852 0.515052 0.880066 F\n0.379080 0.484896 0.119928 F\n",
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{
"id": "mp-1212592",
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"structure_string": "Ir1 Ru2 N10 Cl10\n1.0\n4.448254 5.826077 0.000000\n-4.448254 5.826077 0.000000\n0.000000 5.305488 14.889617\nIr Ru N Cl\n1 2 10 10\ndirect\n0.000000 0.000000 0.000000 Ir\n0.368300 0.368300 0.412251 Ru\n0.631700 0.631700 0.587749 Ru\n0.532151 0.224419 0.472895 N\n0.467849 0.775581 0.527105 N\n0.775581 0.467849 0.527105 N\n0.224419 0.532151 0.472895 N\n0.346967 0.221808 0.162370 N\n0.653033 0.778192 0.837630 N\n0.778192 0.653033 0.837630 N\n0.221808 0.346967 0.162370 N\n0.503769 0.503769 0.303911 N\n0.496231 0.496231 0.696089 N\n0.742406 0.257594 0.000000 Cl\n0.257594 0.742406 0.000000 Cl\n0.815300 0.815300 0.606393 Cl\n0.184700 0.184700 0.393607 Cl\n0.649096 0.649096 0.275073 Cl\n0.350904 0.350904 0.724927 Cl\n0.976655 0.976655 0.152184 Cl\n0.023345 0.023345 0.847816 Cl\n0.792505 0.792505 0.035512 Cl\n0.207495 0.207495 0.964488 Cl\n",
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{
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"created_at": "2022-09-04T14:40:55.373327Z",
"structure_string": "Nb22 S24\n1.0\n2.728391 5.042917 0.000000\n-2.728391 5.042917 0.000000\n0.000000 2.444564 35.181994\nNb S\n22 24\ndirect\n0.839805 0.338715 0.999635 Nb\n0.313655 0.406066 0.685338 Nb\n0.160195 0.661285 0.000365 Nb\n0.440457 0.559543 0.750000 Nb\n0.406066 0.313655 0.185338 Nb\n0.016522 0.927732 0.313081 Nb\n0.559543 0.440457 0.250000 Nb\n0.593934 0.686345 0.814662 Nb\n0.661285 0.160195 0.500365 Nb\n0.338715 0.839805 0.499635 Nb\n0.775588 0.887890 0.749461 Nb\n0.983478 0.072268 0.686919 Nb\n0.686345 0.593934 0.314662 Nb\n0.887890 0.775588 0.249461 Nb\n0.072268 0.983478 0.186919 Nb\n0.112110 0.224412 0.750539 Nb\n0.648024 0.737148 0.685421 Nb\n0.262852 0.351976 0.814579 Nb\n0.224412 0.112110 0.250539 Nb\n0.737148 0.648024 0.185421 Nb\n0.351976 0.262852 0.314579 Nb\n0.927732 0.016522 0.813081 Nb\n0.579746 0.345395 0.857849 S\n0.025493 0.831771 0.456755 S\n0.317156 0.506113 0.543455 S\n0.420254 0.654605 0.142151 S\n0.981527 0.760893 0.641189 S\n0.775087 0.704420 0.040681 S\n0.493887 0.682844 0.956545 S\n0.654605 0.420254 0.642151 S\n0.910748 0.680542 0.857728 S\n0.704420 0.775087 0.540681 S\n0.682844 0.493887 0.456545 S\n0.239107 0.018473 0.858811 S\n0.680542 0.910748 0.357728 S\n0.089252 0.319458 0.142272 S\n0.168229 0.974507 0.043245 S\n0.018473 0.239107 0.358811 S\n0.224913 0.295580 0.959319 S\n0.974507 0.168229 0.543245 S\n0.319458 0.089252 0.642272 S\n0.831771 0.025493 0.956755 S\n0.295580 0.224913 0.459319 S\n0.506113 0.317156 0.043455 S\n0.760893 0.981527 0.141189 S\n0.345395 0.579746 0.357849 S\n",
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{
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"formula_full": "Cr2 Re2 O8",
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{
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{
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"structure_string": "K6 Nb4 As2 Se22\n1.0\n6.687152 7.628804 0.000000\n-6.687152 7.628804 0.000000\n0.000000 1.671167 9.957955\nK Nb As Se\n6 4 2 22\ndirect\n0.899414 0.055656 0.749949 K\n0.055656 0.899414 0.249949 K\n0.800519 0.662771 0.916212 K\n0.662771 0.800519 0.416212 K\n0.272327 0.430811 0.165235 K\n0.430811 0.272327 0.665235 K\n0.410160 0.826755 0.830671 Nb\n0.826755 0.410160 0.330671 Nb\n0.157558 0.708967 0.646474 Nb\n0.708967 0.157558 0.146474 Nb\n0.045551 0.350991 0.597567 As\n0.350991 0.045551 0.097567 As\n0.141439 0.740082 0.903888 Se\n0.740082 0.141439 0.403888 Se\n0.259167 0.943619 0.627384 Se\n0.943619 0.259167 0.127384 Se\n0.441073 0.640245 0.667788 Se\n0.640245 0.441073 0.167788 Se\n0.198743 0.507302 0.492209 Se\n0.507302 0.198743 0.992209 Se\n0.225677 0.032823 0.905111 Se\n0.032823 0.225677 0.405111 Se\n0.131539 0.518987 0.843756 Se\n0.518987 0.131539 0.343756 Se\n0.441707 0.814673 0.089329 Se\n0.814673 0.441707 0.589329 Se\n0.493234 0.574543 0.892386 Se\n0.574543 0.493234 0.392386 Se\n0.310652 0.815627 0.439085 Se\n0.815627 0.310652 0.939085 Se\n0.597178 0.942469 0.746929 Se\n0.942469 0.597178 0.246929 Se\n0.938335 0.785026 0.586599 Se\n0.785026 0.938335 0.086599 Se\n",
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{
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"structure_string": "Hf3 Sc1 Ga12\n1.0\n3.977986 0.000000 0.000000\n0.000000 3.977986 0.000000\n0.000000 0.000000 17.607207\nHf Sc Ga\n3 1 12\ndirect\n0.000000 0.000000 0.881336 Hf\n0.000000 0.000000 0.117607 Hf\n0.500000 0.500000 0.619818 Hf\n0.500000 0.500000 0.380933 Sc\n0.500000 0.000000 0.000034 Ga\n0.000000 0.500000 0.499947 Ga\n0.500000 0.000000 0.499947 Ga\n0.000000 0.500000 0.000034 Ga\n0.500000 0.500000 0.126660 Ga\n0.000000 0.000000 0.623170 Ga\n0.000000 0.000000 0.375903 Ga\n0.500000 0.500000 0.875315 Ga\n0.000000 0.500000 0.249694 Ga\n0.500000 0.000000 0.749954 Ga\n0.500000 0.000000 0.249694 Ga\n0.000000 0.500000 0.749954 Ga\n",
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{
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"structure_string": "Rb3 Tl1 Br6\n1.0\n0.000000 6.025625 6.025625\n6.025625 0.000000 6.025625\n6.025625 6.025625 0.000000\nRb Tl Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Tl\n0.769458 0.230542 0.230542 Br\n0.230542 0.230542 0.769458 Br\n0.230542 0.769458 0.769458 Br\n0.230542 0.769458 0.230542 Br\n0.769458 0.230542 0.769458 Br\n0.769458 0.769458 0.230542 Br\n",
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