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{
"id": "mp-1199518",
"created_at": "2022-09-04T14:46:36.218372Z",
"structure_string": "Sc8 Ge16 Mo12\n1.0\n6.734337 0.000000 0.000000\n0.000000 6.931930 0.000000\n0.000000 0.000000 12.908212\nSc Ge Mo\n8 16 12\ndirect\n0.489742 0.673577 0.592267 Sc\n0.989742 0.826423 0.907733 Sc\n0.510258 0.326423 0.092267 Sc\n0.010258 0.173577 0.407733 Sc\n0.510258 0.326423 0.407733 Sc\n0.010258 0.173577 0.092267 Sc\n0.489742 0.673577 0.907733 Sc\n0.989742 0.826423 0.592267 Sc\n0.678145 0.960451 0.455360 Ge\n0.178145 0.539549 0.044640 Ge\n0.321855 0.039549 0.955360 Ge\n0.821855 0.460451 0.544640 Ge\n0.321855 0.039549 0.544640 Ge\n0.821855 0.460451 0.955360 Ge\n0.678145 0.960451 0.044640 Ge\n0.178145 0.539549 0.455360 Ge\n0.464467 0.377752 0.750000 Ge\n0.964467 0.122248 0.750000 Ge\n0.535533 0.622248 0.250000 Ge\n0.035533 0.877752 0.250000 Ge\n0.689489 0.852149 0.750000 Ge\n0.189489 0.647851 0.750000 Ge\n0.310511 0.147851 0.250000 Ge\n0.810511 0.352149 0.250000 Ge\n0.663587 0.161448 0.625460 Mo\n0.163587 0.338552 0.874540 Mo\n0.336413 0.838552 0.125460 Mo\n0.836413 0.661448 0.374540 Mo\n0.336413 0.838552 0.374540 Mo\n0.836413 0.661448 0.125460 Mo\n0.663587 0.161448 0.874540 Mo\n0.163587 0.338552 0.625460 Mo\n0.831375 0.500038 0.750000 Mo\n0.331375 0.999962 0.750000 Mo\n0.168625 0.499962 0.250000 Mo\n0.668625 0.000038 0.250000 Mo\n",
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{
"id": "mp-1079075",
"created_at": "2022-09-04T14:46:36.369043Z",
"structure_string": "Y2 Ga4 Pd2\n1.0\n2.221554 -5.103492 0.000000\n2.221554 5.103492 0.000000\n0.000000 0.000000 6.619296\nY Ga Pd\n2 4 2\ndirect\n0.587856 0.412144 0.250000 Y\n0.412144 0.587856 0.750000 Y\n0.871751 0.128249 0.446518 Ga\n0.128249 0.871751 0.553482 Ga\n0.871751 0.128249 0.053482 Ga\n0.128249 0.871751 0.946518 Ga\n0.299609 0.700391 0.250000 Pd\n0.700391 0.299609 0.750000 Pd\n",
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"formula_full": "Y2 Ga4 Pd2",
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"formula_anonymous": "ABC2",
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},
{
"id": "mp-1192207",
"created_at": "2022-09-04T14:46:36.389421Z",
"structure_string": "Ba2 H4 Br4 O14\n1.0\n-4.632890 -4.168107 -4.666689\n4.632890 -4.168107 4.666689\n-4.540203 4.168107 5.106491\nBa H Br O\n2 4 4 14\ndirect\n0.606052 0.856052 0.250000 Ba\n0.393948 0.143948 0.750000 Ba\n0.070724 0.291171 0.365156 H\n0.073985 0.794433 0.865156 H\n0.929276 0.708829 0.634844 H\n0.926015 0.205567 0.134844 H\n0.979470 0.670146 0.193278 Br\n0.523132 0.713808 0.693278 Br\n0.020530 0.329854 0.806722 Br\n0.476868 0.286192 0.306722 Br\n0.930368 0.180368 0.250000 O\n0.069632 0.819632 0.750000 O\n0.735579 0.597339 0.020102 O\n0.422764 0.784523 0.520102 O\n0.264421 0.402661 0.979898 O\n0.577236 0.215477 0.479898 O\n0.151697 0.758360 0.102456 O\n0.344097 0.450760 0.602456 O\n0.848303 0.241640 0.897544 O\n0.655903 0.549240 0.397544 O\n0.047189 0.886018 0.374874 O\n0.488856 0.827686 0.874874 O\n0.952811 0.113982 0.625126 O\n0.511144 0.172314 0.125126 O\n",
"nsites": 24,
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"O"
],
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"formula_full": "Ba2 H4 Br4 O14",
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"spacegroup": 15
},
{
"id": "mp-6372",
"created_at": "2022-09-04T14:46:36.273177Z",
"structure_string": "K8 Be12 Zn8 F48\n1.0\n10.127675 0.000000 0.000000\n0.000000 10.127675 0.000000\n0.000000 0.000000 10.127675\nK Be Zn F\n8 12 8 48\ndirect\n0.062907 0.062907 0.062907 K\n0.437093 0.937093 0.562907 K\n0.562907 0.437093 0.937093 K\n0.937093 0.562907 0.437093 K\n0.298499 0.298499 0.298499 K\n0.201501 0.701501 0.798499 K\n0.798499 0.201501 0.701501 K\n0.701501 0.798499 0.201501 K\n0.626656 0.462925 0.271205 Be\n0.873344 0.537075 0.771205 Be\n0.373344 0.962925 0.228795 Be\n0.126656 0.037075 0.728795 Be\n0.962925 0.228795 0.373344 Be\n0.728795 0.126656 0.037075 Be\n0.228795 0.373344 0.962925 Be\n0.537075 0.771205 0.873344 Be\n0.771205 0.873344 0.537075 Be\n0.037075 0.728795 0.126656 Be\n0.462925 0.271205 0.626656 Be\n0.271205 0.626656 0.462925 Be\n0.584399 0.584399 0.584399 Zn\n0.915601 0.415601 0.084399 Zn\n0.084399 0.915601 0.415601 Zn\n0.415601 0.084399 0.915601 Zn\n0.849110 0.849110 0.849110 Zn\n0.650890 0.150890 0.349110 Zn\n0.349110 0.650890 0.150890 Zn\n0.150890 0.349110 0.650890 Zn\n0.416507 0.656731 0.500197 F\n0.425632 0.817771 0.237805 F\n0.074368 0.182229 0.737805 F\n0.817771 0.237805 0.425632 F\n0.975887 0.442901 0.702745 F\n0.524113 0.557099 0.202745 F\n0.202745 0.524113 0.557099 F\n0.557099 0.202745 0.524113 F\n0.942901 0.797255 0.024113 F\n0.702745 0.975887 0.442901 F\n0.442901 0.702745 0.975887 F\n0.297255 0.475887 0.057099 F\n0.797255 0.024113 0.942901 F\n0.057099 0.297255 0.475887 F\n0.024113 0.942901 0.797255 F\n0.475887 0.057099 0.297255 F\n0.656731 0.500197 0.416507 F\n0.925632 0.682229 0.762195 F\n0.500197 0.416507 0.656731 F\n0.999803 0.583493 0.156731 F\n0.916507 0.843269 0.499803 F\n0.499803 0.916507 0.843269 F\n0.083493 0.343269 0.000197 F\n0.583493 0.156731 0.999803 F\n0.000197 0.083493 0.343269 F\n0.156731 0.999803 0.583493 F\n0.343269 0.000197 0.083493 F\n0.843269 0.499803 0.916507 F\n0.756301 0.484055 0.190494 F\n0.190494 0.756301 0.484055 F\n0.484055 0.190494 0.756301 F\n0.015945 0.809506 0.256301 F\n0.690494 0.743699 0.515945 F\n0.515945 0.690494 0.743699 F\n0.309506 0.243699 0.984055 F\n0.809506 0.256301 0.015945 F\n0.984055 0.309506 0.243699 F\n0.256301 0.015945 0.809506 F\n0.243699 0.984055 0.309506 F\n0.743699 0.515945 0.690494 F\n0.574368 0.317771 0.262195 F\n0.262195 0.574368 0.317771 F\n0.317771 0.262195 0.574368 F\n0.182229 0.737805 0.074368 F\n0.762195 0.925632 0.682229 F\n0.737805 0.074368 0.182229 F\n0.237805 0.425632 0.817771 F\n0.682229 0.762195 0.925632 F\n",
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"volume": 1038.7936083868756,
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"formula_full": "K8 Be12 Zn8 F48",
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"formula_anonymous": "A2B2C3D12",
"energy": -396.9136715,
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{
"id": "mp-21031",
"created_at": "2022-09-04T14:46:36.321584Z",
"structure_string": "Pd3 Pb1 C1\n1.0\n4.298945 0.000000 0.000000\n0.000000 4.298945 0.000000\n0.000000 0.000000 4.298945\nPd Pb C\n3 1 1\ndirect\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.000000 0.500000 Pd\n0.000000 0.000000 0.000000 Pb\n0.500000 0.500000 0.500000 C\n",
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{
"id": "mp-29020",
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"structure_string": "P16 Se4 O24\n1.0\n6.756310 0.000000 0.000000\n0.000000 10.987092 0.000000\n0.000000 4.201876 11.643075\nP Se O\n16 4 24\ndirect\n0.463540 0.665381 0.210516 P\n0.963540 0.334619 0.289484 P\n0.536460 0.334619 0.789484 P\n0.036460 0.665381 0.710516 P\n0.243582 0.569838 0.047725 P\n0.743582 0.430162 0.452275 P\n0.756418 0.430162 0.952275 P\n0.256418 0.569838 0.547725 P\n0.135595 0.822485 0.071434 P\n0.635595 0.177515 0.428566 P\n0.864405 0.177515 0.928566 P\n0.364405 0.822485 0.571434 P\n0.510061 0.792811 0.962667 P\n0.010061 0.207189 0.537333 P\n0.489939 0.207189 0.037333 P\n0.989939 0.792811 0.462667 P\n0.706486 0.887313 0.834762 Se\n0.206486 0.112687 0.665238 Se\n0.293514 0.112687 0.165238 Se\n0.793514 0.887313 0.334762 Se\n0.085439 0.683730 0.049727 O\n0.585439 0.316270 0.450273 O\n0.914561 0.316270 0.950273 O\n0.414561 0.683730 0.549727 O\n0.274045 0.765600 0.189478 O\n0.774045 0.234400 0.310522 O\n0.725955 0.234400 0.810522 O\n0.225955 0.765600 0.689478 O\n0.366888 0.548829 0.169138 O\n0.866888 0.451171 0.330862 O\n0.633112 0.451171 0.830862 O\n0.133112 0.548829 0.669138 O\n0.412408 0.661518 0.953416 O\n0.912408 0.338482 0.546584 O\n0.587592 0.338482 0.046584 O\n0.087592 0.661518 0.453416 O\n0.598604 0.743435 0.092434 O\n0.098604 0.256565 0.407566 O\n0.401396 0.256565 0.907566 O\n0.901396 0.743435 0.592434 O\n0.181463 0.876704 0.472908 O\n0.681463 0.123296 0.027092 O\n0.818537 0.123296 0.527092 O\n0.318537 0.876704 0.972908 O\n",
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{
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{
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