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{
"id": "mp-580802",
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{
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"structure_string": "Al3 Ga1\n1.0\n4.067882 0.000000 0.000000\n0.000000 4.067882 0.000000\n0.000000 0.000000 4.067882\nAl Ga\n3 1\ndirect\n0.500000 0.500000 0.000000 Al\n0.000000 0.500000 0.500000 Al\n0.500000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Ga\n",
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"density": 3.7167553376674367,
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"updated_at": "2021-11-28T01:35:01.723000Z",
"spacegroup": 221
},
{
"id": "mp-1221964",
"created_at": "2022-09-04T14:40:25.998750Z",
"structure_string": "Mg1 Pd3\n1.0\n8.836869 -1.436220 0.000000\n8.836869 1.436220 0.000000\n8.603446 0.000000 2.476630\nMg Pd\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.253356 0.253356 0.253356 Pd\n0.500000 0.500000 0.500000 Pd\n0.746644 0.746644 0.746644 Pd\n",
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"density": 9.07501809934438,
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"formula_full": "Mg1 Pd3",
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"updated_at": "2021-11-28T01:34:55.915000Z",
"spacegroup": 166
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{
"id": "mp-1029656",
"created_at": "2022-09-04T14:40:25.997468Z",
"structure_string": "Na12 W2 N8\n1.0\n7.528577 0.000000 0.000000\n0.000000 7.528577 0.000000\n0.000000 0.000000 5.819558\nNa W N\n12 2 8\ndirect\n0.500000 0.000000 0.637463 Na\n0.000000 0.500000 0.862537 Na\n0.000000 0.500000 0.362537 Na\n0.500000 0.000000 0.137463 Na\n0.205943 0.205943 0.500000 Na\n0.794057 0.794057 0.500000 Na\n0.705943 0.705943 0.000000 Na\n0.294057 0.294057 0.000000 Na\n0.205943 0.794057 0.500000 Na\n0.794057 0.205943 0.500000 Na\n0.705943 0.294057 0.000000 Na\n0.294057 0.705943 0.000000 Na\n0.500000 0.500000 0.500000 W\n0.000000 0.000000 0.000000 W\n0.500000 0.284670 0.324037 N\n0.500000 0.715330 0.324037 N\n0.000000 0.784670 0.175963 N\n0.000000 0.215330 0.175963 N\n0.284670 0.500000 0.675963 N\n0.715330 0.500000 0.675963 N\n0.784670 0.000000 0.824037 N\n0.215330 0.000000 0.824037 N\n",
"nsites": 22,
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"elements": [
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"formula_full": "Na12 W2 N8",
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{
"id": "mp-1190749",
"created_at": "2022-09-04T14:40:25.996688Z",
"structure_string": "Ho2 In4 Ni18\n1.0\n8.241055 0.000000 0.000000\n0.000000 8.241055 0.000000\n0.000000 0.000000 4.805150\nHo In Ni\n2 4 18\ndirect\n0.500000 0.500000 0.000000 Ho\n0.000000 0.000000 0.000000 Ho\n0.124408 0.624408 0.000000 In\n0.875592 0.375592 0.000000 In\n0.375592 0.124408 0.000000 In\n0.624408 0.875592 0.000000 In\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.500000 Ni\n0.563262 0.706037 0.500000 Ni\n0.436738 0.293963 0.500000 Ni\n0.936738 0.206037 0.500000 Ni\n0.063262 0.793963 0.500000 Ni\n0.706037 0.436738 0.500000 Ni\n0.293963 0.563262 0.500000 Ni\n0.206037 0.063262 0.500000 Ni\n0.793963 0.936738 0.500000 Ni\n0.323724 0.823724 0.752069 Ni\n0.676276 0.176276 0.752069 Ni\n0.176276 0.323724 0.752069 Ni\n0.823724 0.676276 0.752069 Ni\n0.676276 0.176276 0.247931 Ni\n0.323724 0.823724 0.247931 Ni\n0.823724 0.676276 0.247931 Ni\n0.176276 0.323724 0.247931 Ni\n",
"nsites": 24,
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"density": 9.391119375992751,
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"formula_full": "Ho2 In4 Ni18",
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"updated_at": "2021-11-28T01:34:49.507000Z",
"spacegroup": 127
},
{
"id": "mp-1235528",
"created_at": "2022-09-04T14:40:25.994968Z",
"structure_string": "Li1 Fe6 O4 F8\n1.0\n-5.110824 5.123727 3.092534\n-0.194764 4.924611 -3.090812\n-4.904886 0.200483 -3.083994\nLi Fe O F\n1 6 4 8\ndirect\n0.169293 0.829073 0.326580 Li\n0.845551 0.632338 0.664516 Fe\n0.674039 0.349877 0.310005 Fe\n0.352054 0.681113 0.668593 Fe\n0.160710 0.323346 0.353679 Fe\n0.511644 0.977698 0.016806 Fe\n0.984514 0.980490 0.987239 Fe\n0.340481 0.977901 0.357766 O\n0.683958 0.649665 0.010209 O\n0.007718 0.289954 0.700517 O\n0.000820 0.678681 0.298176 O\n0.656451 0.039968 0.625612 F\n0.336649 0.359361 0.959082 F\n0.309646 0.887477 0.935543 F\n0.984493 0.194482 0.252008 F\n0.647511 0.557073 0.572929 F\n0.041722 0.766151 0.717314 F\n0.358161 0.461076 0.410509 F\n0.684587 0.114273 0.082919 F\n",
"nsites": 19,
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"elements": [
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{
"id": "mp-35197",
"created_at": "2022-09-04T14:40:25.993525Z",
"structure_string": "Sm2 Sb4 Te8\n1.0\n-4.949598 4.949598 4.661639\n4.949598 -4.949598 4.661639\n4.949598 4.949598 -4.661639\nSm Sb Te\n2 4 8\ndirect\n0.750000 0.250000 0.500000 Sm\n0.500000 0.500000 0.000000 Sm\n0.924961 0.375000 0.049961 Sb\n0.625000 0.674961 0.549961 Sb\n0.325039 0.875000 0.950039 Sb\n0.125000 0.075039 0.450039 Sb\n0.871807 0.625486 0.871710 Te\n0.374514 0.246224 0.246321 Te\n0.250097 0.503776 0.628290 Te\n0.378193 0.749903 0.253679 Te\n0.875486 0.621807 0.371710 Te\n0.496224 0.124514 0.746321 Te\n0.753776 0.000097 0.128290 Te\n0.999903 0.128193 0.753679 Te\n",
"nsites": 14,
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{
"id": "mp-769705",
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"structure_string": "Cd4 Co8 O16\n1.0\n5.066793 0.000000 0.000000\n0.073537 5.908892 0.000000\n0.015390 0.177484 11.009410\nCd Co O\n4 8 16\ndirect\n0.974463 0.258712 0.249674 Cd\n0.645318 0.246426 0.749989 Cd\n0.356029 0.752081 0.249907 Cd\n0.027164 0.741214 0.750278 Cd\n0.991035 0.753589 0.011752 Co\n0.007392 0.247352 0.988612 Co\n0.992422 0.748576 0.489552 Co\n0.008050 0.248053 0.510540 Co\n0.499571 0.999767 0.999925 Co\n0.502235 0.999350 0.505572 Co\n0.499340 0.499532 0.999739 Co\n0.498028 0.499826 0.495191 Co\n0.835940 0.977427 0.900026 O\n0.821748 0.997828 0.614244 O\n0.848779 0.502460 0.594097 O\n0.833973 0.480409 0.889679 O\n0.667684 0.743952 0.096746 O\n0.668486 0.756697 0.403161 O\n0.686805 0.249272 0.085002 O\n0.686794 0.251311 0.414025 O\n0.314666 0.744950 0.586555 O\n0.313047 0.752498 0.913875 O\n0.331081 0.250327 0.597171 O\n0.331359 0.255094 0.902775 O\n0.166310 0.020582 0.103064 O\n0.152854 0.004009 0.405579 O\n0.162631 0.517830 0.105596 O\n0.176796 0.500876 0.387673 O\n",
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{
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"created_at": "2022-09-04T14:40:25.987830Z",
"structure_string": "Hf1 Mg6 Ni1 O8\n1.0\n9.178854 0.000000 0.000000\n0.000000 4.284951 0.000000\n0.000000 0.000000 4.284951\nHf Mg Ni O\n1 6 1 8\ndirect\n0.500000 0.000000 0.000000 Hf\n0.000000 0.500000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.226677 0.000000 0.500000 Mg\n0.773323 0.000000 0.500000 Mg\n0.226677 0.500000 0.000000 Mg\n0.773323 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Ni\n0.274298 0.000000 0.000000 O\n0.725702 0.000000 0.000000 O\n0.244336 0.500000 0.500000 O\n0.755664 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
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},
{
"id": "mp-1212601",
"created_at": "2022-09-04T14:40:25.981463Z",
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{
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"structure_string": "U6 Si22 Pt46\n1.0\n0.000000 8.587933 8.587933\n8.587933 0.000000 8.587933\n8.587933 8.587933 0.000000\nU Si Pt\n6 22 46\ndirect\n0.384185 0.615815 0.384185 U\n0.615815 0.615815 0.384185 U\n0.384185 0.615815 0.615815 U\n0.615815 0.384185 0.615815 U\n0.384185 0.384185 0.615815 U\n0.615815 0.384185 0.384185 U\n0.382842 0.382842 0.382842 Si\n0.831856 0.168144 0.168144 Si\n0.165628 0.503116 0.165628 Si\n0.831856 0.168144 0.831856 Si\n0.148525 0.617158 0.617158 Si\n0.165628 0.165628 0.165628 Si\n0.496884 0.834372 0.834372 Si\n0.834372 0.834372 0.834372 Si\n0.851475 0.382842 0.382842 Si\n0.617158 0.148525 0.617158 Si\n0.382842 0.851475 0.382842 Si\n0.503116 0.165628 0.165628 Si\n0.382842 0.382842 0.851475 Si\n0.834372 0.834372 0.496884 Si\n0.831856 0.831856 0.168144 Si\n0.168144 0.168144 0.831856 Si\n0.617158 0.617158 0.148525 Si\n0.165628 0.165628 0.503116 Si\n0.834372 0.496884 0.834372 Si\n0.617158 0.617158 0.617158 Si\n0.168144 0.831856 0.831856 Si\n0.168144 0.831856 0.168144 Si\n0.919033 0.582053 0.249457 Pt\n0.693856 0.918433 0.693856 Pt\n0.249457 0.582053 0.919033 Pt\n0.918433 0.693856 0.693856 Pt\n0.750543 0.417947 0.750543 Pt\n0.000000 0.000000 0.500000 Pt\n0.750543 0.080967 0.417947 Pt\n0.082990 0.082990 0.082990 Pt\n0.582053 0.919033 0.249457 Pt\n0.917010 0.248969 0.917010 Pt\n0.082990 0.082990 0.751031 Pt\n0.750543 0.750543 0.417947 Pt\n0.080967 0.750543 0.750543 Pt\n0.080967 0.417947 0.750543 Pt\n0.693856 0.693856 0.918433 Pt\n0.750543 0.750543 0.080967 Pt\n0.693856 0.693856 0.693856 Pt\n0.417947 0.750543 0.080967 Pt\n0.249457 0.919033 0.249457 Pt\n0.582053 0.249457 0.249457 Pt\n0.417947 0.750543 0.750543 Pt\n0.917010 0.917010 0.248969 Pt\n0.249457 0.249457 0.582053 Pt\n0.750543 0.417947 0.080967 Pt\n0.582053 0.249457 0.919033 Pt\n0.249457 0.919033 0.582053 Pt\n0.306144 0.306144 0.081567 Pt\n0.306144 0.306144 0.306144 Pt\n0.249457 0.249457 0.919033 Pt\n0.917010 0.917010 0.917010 Pt\n0.082990 0.751031 0.082990 Pt\n0.000000 0.500000 0.000000 Pt\n0.919033 0.249457 0.582053 Pt\n0.248969 0.917010 0.917010 Pt\n0.919033 0.249457 0.249457 Pt\n0.417947 0.080967 0.750543 Pt\n0.500000 0.500000 0.000000 Pt\n0.081567 0.306144 0.306144 Pt\n0.750543 0.080967 0.750543 Pt\n0.306144 0.081567 0.306144 Pt\n0.249457 0.582053 0.249457 Pt\n0.500000 0.000000 0.000000 Pt\n0.080967 0.750543 0.417947 Pt\n0.751031 0.082990 0.082990 Pt\n0.500000 0.000000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
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],
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]
}