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{
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{
"id": "mp-1073465",
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"structure_string": "Mg4 Si8\n1.0\n3.793555 0.000000 0.000000\n1.794030 4.296794 0.000000\n1.040642 0.574609 13.100097\nMg Si\n4 8\ndirect\n0.553100 0.976828 0.124594 Mg\n0.195138 0.806690 0.950961 Mg\n0.332441 0.667724 0.706472 Mg\n0.902105 0.164946 0.299297 Mg\n0.922090 0.410361 0.847859 Si\n0.239055 0.548041 0.202640 Si\n0.195523 0.558356 0.400202 Si\n0.003828 0.426697 0.571972 Si\n0.865239 0.405033 0.039889 Si\n0.607142 0.061765 0.803118 Si\n0.667852 0.068691 0.608275 Si\n0.516288 0.905149 0.444462 Si\n",
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{
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{
"id": "mp-1221551",
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"structure_string": "Mn1 Ru1\n1.0\n1.326881 -2.298225 0.000000\n1.326881 2.298225 0.000000\n0.000000 0.000000 4.110517\nMn Ru\n1 1\ndirect\n0.000000 0.000000 0.500000 Mn\n0.666667 0.333333 0.000000 Ru\n",
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"updated_at": "2021-11-28T01:34:56.662000Z",
"spacegroup": 187
},
{
"id": "mp-209",
"created_at": "2022-09-04T14:40:44.166216Z",
"structure_string": "Er8 Se12\n1.0\n0.000000 5.730409 12.171977\n4.091573 0.000000 12.171977\n4.091573 5.730409 0.000000\nEr Se\n8 12\ndirect\n0.752672 0.752672 0.247328 Er\n0.247328 0.247328 0.752672 Er\n0.497328 0.497328 0.002672 Er\n0.002672 0.002672 0.497328 Er\n0.416165 0.416165 0.583835 Er\n0.583835 0.583835 0.416165 Er\n0.833835 0.833835 0.666165 Er\n0.666165 0.666165 0.833835 Er\n0.673761 0.164238 0.819964 Se\n0.342037 0.819964 0.164238 Se\n0.819964 0.342037 0.673761 Se\n0.164238 0.673761 0.342037 Se\n0.576239 0.085762 0.430036 Se\n0.907963 0.430036 0.085762 Se\n0.430036 0.907963 0.576239 Se\n0.085762 0.576239 0.907963 Se\n0.992232 0.507768 0.507768 Se\n0.507768 0.992232 0.992232 Se\n0.257768 0.742232 0.742232 Se\n0.742232 0.257768 0.257768 Se\n",
"nsites": 20,
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"formula_full": "Er8 Se12",
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{
"id": "mp-1009237",
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"structure_string": "Nd1 N1\n1.0\n3.129469 0.000000 0.000000\n0.000000 3.129469 0.000000\n0.000000 0.000000 3.129469\nNd N\n1 1\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 N\n",
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{
"id": "mp-12561",
"created_at": "2022-09-04T14:40:55.277953Z",
"structure_string": "Ta2 As4\n1.0\n1.712969 4.719926 0.000000\n-1.712969 4.719926 0.000000\n0.000000 3.888439 6.816714\nTa As\n2 4\ndirect\n0.843089 0.843089 0.195380 Ta\n0.156911 0.156911 0.804620 Ta\n0.140622 0.140622 0.472337 As\n0.859378 0.859378 0.527663 As\n0.594323 0.594323 0.107655 As\n0.405677 0.405677 0.892345 As\n",
"nsites": 6,
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"formula_full": "Ta2 As4",
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"updated_at": "2021-11-28T01:35:02.246000Z",
"spacegroup": 12
},
{
"id": "mp-1066254",
"created_at": "2022-09-04T14:40:54.998547Z",
"structure_string": "Y2 Au2\n1.0\n1.867026 -5.534844 0.000000\n1.867026 5.534844 0.000000\n0.000000 0.000000 4.700941\nY Au\n2 2\ndirect\n0.860976 0.139024 0.750000 Y\n0.139024 0.860976 0.250000 Y\n0.587027 0.412973 0.750000 Au\n0.412973 0.587027 0.250000 Au\n",
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{
"id": "mp-729507",
"created_at": "2022-09-04T14:40:54.979385Z",
"structure_string": "Ir4 Cl12\n1.0\n0.000000 5.061788 10.580999\n3.621133 0.000000 10.580999\n3.621133 5.061788 0.000000\nIr Cl\n4 12\ndirect\n0.956043 0.956803 0.791286 Ir\n0.036547 0.049079 0.207259 Ir\n0.208296 0.212865 0.035934 Ir\n0.797698 0.788912 0.956689 Ir\n0.651644 0.097362 0.101107 Cl\n0.454560 0.970235 0.257800 Cl\n0.532739 0.041695 0.753607 Cl\n0.958338 0.465390 0.815557 Cl\n0.751601 0.172202 0.533814 Cl\n0.093845 0.656634 0.648771 Cl\n0.346651 0.900244 0.910222 Cl\n0.908696 0.337640 0.347538 Cl\n0.263142 0.812389 0.460011 Cl\n0.030536 0.539381 0.183981 Cl\n0.184763 0.740478 0.042665 Cl\n0.814402 0.260437 0.958267 Cl\n",
"nsites": 16,
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"volume": 387.8868862487291,
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"formula_full": "Ir4 Cl12",
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{
"id": "mp-1105044",
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"structure_string": "Nb6 Ni7\n1.0\n8.945024 -2.446440 0.000000\n8.945024 2.446440 0.000000\n8.275928 0.000000 4.184199\nNb Ni\n6 7\ndirect\n0.831361 0.831361 0.831361 Nb\n0.168639 0.168639 0.168639 Nb\n0.655464 0.655464 0.655464 Nb\n0.344536 0.344536 0.344536 Nb\n0.549297 0.549297 0.549297 Nb\n0.450703 0.450703 0.450703 Nb\n0.000000 0.000000 0.000000 Ni\n0.408847 0.909444 0.909444 Ni\n0.909444 0.909444 0.408847 Ni\n0.909444 0.408847 0.909444 Ni\n0.591153 0.090556 0.090556 Ni\n0.090556 0.090556 0.591153 Ni\n0.090556 0.591153 0.090556 Ni\n",
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{
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{
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{
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]
}