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{
"id": "mp-555056",
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"structure_string": "Sb1 S2 N1 Cl6\n1.0\n-3.637575 4.095056 4.903210\n3.637575 -4.095056 4.903210\n3.637575 4.095056 -4.903210\nSb S N Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Sb\n0.682724 0.500000 0.182724 S\n0.317276 0.500000 0.817276 S\n0.500000 0.500000 0.000000 N\n0.826841 0.589939 0.763098 Cl\n0.706440 0.000000 0.706440 Cl\n0.173159 0.936256 0.763098 Cl\n0.293560 0.000000 0.293560 Cl\n0.173159 0.410061 0.236902 Cl\n0.826841 0.063744 0.236902 Cl\n",
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{
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},
{
"id": "mp-1103031",
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"structure_string": "Hf8 Co2 P2\n1.0\n6.356702 0.000000 0.000000\n0.000000 6.356702 0.000000\n0.000000 0.000000 5.334371\nHf Co P\n8 2 2\ndirect\n0.157113 0.669005 0.500000 Hf\n0.842887 0.330995 0.500000 Hf\n0.669005 0.842887 0.500000 Hf\n0.330995 0.157113 0.500000 Hf\n0.157113 0.330995 0.000000 Hf\n0.842887 0.669005 0.000000 Hf\n0.669005 0.157113 0.000000 Hf\n0.330995 0.842887 0.000000 Hf\n0.000000 0.000000 0.250000 Co\n0.000000 0.000000 0.750000 Co\n0.500000 0.500000 0.250000 P\n0.500000 0.500000 0.750000 P\n",
"nsites": 12,
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"elements": [
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],
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"formula_full": "Hf8 Co2 P2",
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"spacegroup": 124
},
{
"id": "mp-1215002",
"created_at": "2022-09-04T14:41:31.744183Z",
"structure_string": "Ag4 H16 C4 S4 N10 Cl2 O6\n1.0\n6.534733 0.000000 0.000000\n1.720797 7.699589 0.000000\n1.522594 1.281215 11.926373\nAg H C S N Cl O\n4 16 4 4 10 2 6\ndirect\n0.575046 0.667328 0.064846 Ag\n0.424954 0.332672 0.935154 Ag\n0.011761 0.627591 0.845067 Ag\n0.988239 0.372409 0.154933 Ag\n0.267277 0.583870 0.260617 H\n0.732723 0.416130 0.739383 H\n0.512228 0.025899 0.645244 H\n0.487772 0.974101 0.354756 H\n0.230533 0.007312 0.314498 H\n0.769467 0.992688 0.685502 H\n0.754356 0.299430 0.428942 H\n0.245644 0.700570 0.571058 H\n0.762474 0.023929 0.226078 H\n0.237526 0.976071 0.773922 H\n0.714401 0.116653 0.088883 H\n0.285599 0.883347 0.911117 H\n0.498332 0.254478 0.459826 H\n0.501668 0.745522 0.540174 H\n0.221107 0.424915 0.372026 H\n0.778893 0.575085 0.627974 H\n0.453110 0.074884 0.192250 C\n0.546890 0.925116 0.807750 C\n0.528994 0.450197 0.333960 C\n0.471006 0.549803 0.666040 C\n0.298642 0.428732 0.745765 S\n0.701358 0.571268 0.254235 S\n0.277526 0.138639 0.089732 S\n0.722474 0.861361 0.910268 S\n0.120411 0.167967 0.559183 N\n0.879589 0.832033 0.440817 N\n0.658232 0.072915 0.167462 N\n0.341768 0.927085 0.832538 N\n0.382963 0.019899 0.295652 N\n0.617037 0.980101 0.704348 N\n0.600792 0.323853 0.412160 N\n0.399208 0.676147 0.587840 N\n0.324322 0.488997 0.321032 N\n0.675678 0.511003 0.678968 N\n0.183316 0.659995 0.057492 Cl\n0.816684 0.340005 0.942508 Cl\n0.319709 0.114892 0.541577 O\n0.680291 0.885108 0.458423 O\n0.026183 0.281219 0.488223 O\n0.973817 0.718781 0.511777 O\n0.021791 0.106711 0.646613 O\n0.978209 0.893289 0.353387 O\n",
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"elements": [
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],
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"formula_full": "Ag4 H16 C4 S4 N10 Cl2 O6",
"formula_reduced": "Ag2H8C2S2N5ClO3",
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"updated_at": "2021-11-28T01:35:23.693000Z",
"spacegroup": 2
},
{
"id": "mp-1102098",
"created_at": "2022-09-04T14:41:32.246432Z",
"structure_string": "Nd8 Au4\n1.0\n5.078691 0.000000 0.000000\n0.000000 7.330228 0.000000\n0.000000 0.000000 9.356316\nNd Au\n8 4\ndirect\n0.250000 0.848703 0.914664 Nd\n0.250000 0.348703 0.585336 Nd\n0.750000 0.151297 0.085336 Nd\n0.750000 0.651297 0.414664 Nd\n0.250000 0.492414 0.175721 Nd\n0.250000 0.992414 0.324279 Nd\n0.750000 0.507586 0.824279 Nd\n0.750000 0.007586 0.675721 Nd\n0.250000 0.257103 0.903475 Au\n0.250000 0.757103 0.596525 Au\n0.750000 0.742897 0.096525 Au\n0.750000 0.242897 0.403475 Au\n",
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"density": 9.257206438717352,
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"volume": 348.3165855981021,
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"formula_full": "Nd8 Au4",
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},
{
"id": "mp-1207069",
"created_at": "2022-09-04T14:41:32.723157Z",
"structure_string": "Ba2 Pu1 Zn1 O6\n1.0\n0.000000 4.224288 4.224288\n4.224288 0.000000 4.224288\n4.224288 4.224288 0.000000\nBa Pu Zn O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Pu\n0.000000 0.000000 0.000000 Zn\n0.745782 0.254218 0.254218 O\n0.254218 0.745782 0.745782 O\n0.254218 0.745782 0.254218 O\n0.745782 0.254218 0.745782 O\n0.254218 0.254218 0.745782 O\n0.745782 0.745782 0.254218 O\n",
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"formula_full": "Ba2 Pu1 Zn1 O6",
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"spacegroup": 225
},
{
"id": "mp-569467",
"created_at": "2022-09-04T14:41:32.835040Z",
"structure_string": "Ag80 Te32 Cl16\n1.0\n7.792915 0.000000 0.000000\n0.000000 19.718659 0.000000\n0.000000 0.011022 19.899007\nAg Te Cl\n80 32 16\ndirect\n0.009913 0.867902 0.736774 Ag\n0.124538 0.987976 0.089216 Ag\n0.755624 0.204880 0.591797 Ag\n0.255624 0.795120 0.908203 Ag\n0.108287 0.932261 0.499908 Ag\n0.875462 0.012024 0.910784 Ag\n0.857779 0.437191 0.682130 Ag\n0.787245 0.718553 0.077266 Ag\n0.949979 0.833982 0.594969 Ag\n0.114763 0.834003 0.234495 Ag\n0.991322 0.385783 0.236681 Ag\n0.355305 0.067886 0.313485 Ag\n0.090167 0.259001 0.169825 Ag\n0.409833 0.259001 0.669825 Ag\n0.642221 0.437191 0.182130 Ag\n0.490087 0.867902 0.236774 Ag\n0.579521 0.310413 0.521671 Ag\n0.979378 0.491549 0.129744 Ag\n0.255421 0.181323 0.530494 Ag\n0.563646 0.283765 0.988317 Ag\n0.436354 0.716235 0.011683 Ag\n0.990087 0.132098 0.263226 Ag\n0.357779 0.562809 0.817870 Ag\n0.744376 0.204880 0.091797 Ag\n0.550021 0.833982 0.094969 Ag\n0.015682 0.019393 0.367884 Ag\n0.479378 0.508451 0.370256 Ag\n0.491322 0.614217 0.263319 Ag\n0.628521 0.659342 0.764833 Ag\n0.287245 0.281447 0.422734 Ag\n0.385237 0.834003 0.734495 Ag\n0.111723 0.498456 0.581395 Ag\n0.644695 0.932114 0.686515 Ag\n0.755421 0.818677 0.969506 Ag\n0.611723 0.501544 0.918605 Ag\n0.244579 0.181323 0.030494 Ag\n0.920479 0.310413 0.021671 Ag\n0.891713 0.067739 0.500092 Ag\n0.984318 0.980607 0.632116 Ag\n0.375462 0.987976 0.589216 Ag\n0.020622 0.508451 0.870256 Ag\n0.909833 0.740999 0.830175 Ag\n0.212755 0.281447 0.922734 Ag\n0.744579 0.818677 0.469506 Ag\n0.520622 0.491549 0.629744 Ag\n0.624538 0.012024 0.410784 Ag\n0.388277 0.498456 0.081395 Ag\n0.888277 0.501544 0.418605 Ag\n0.888417 0.561625 0.999599 Ag\n0.508678 0.385783 0.736681 Ag\n0.371479 0.340658 0.235167 Ag\n0.063646 0.716235 0.511683 Ag\n0.712755 0.718553 0.577266 Ag\n0.515682 0.980607 0.132116 Ag\n0.590167 0.740999 0.330175 Ag\n0.614763 0.165997 0.265505 Ag\n0.128521 0.340658 0.735167 Ag\n0.391713 0.932261 0.999908 Ag\n0.808696 0.266987 0.341230 Ag\n0.936354 0.283765 0.488317 Ag\n0.079521 0.689587 0.978329 Ag\n0.050021 0.166018 0.405031 Ag\n0.611583 0.561625 0.499599 Ag\n0.871479 0.659342 0.264833 Ag\n0.885237 0.165997 0.765505 Ag\n0.191304 0.733013 0.658770 Ag\n0.484318 0.019393 0.867884 Ag\n0.509913 0.132098 0.763226 Ag\n0.388417 0.438375 0.500401 Ag\n0.142221 0.562809 0.317870 Ag\n0.855305 0.932114 0.186515 Ag\n0.691304 0.266987 0.841230 Ag\n0.144695 0.067886 0.813485 Ag\n0.008678 0.614217 0.763319 Ag\n0.111583 0.438375 0.000401 Ag\n0.608287 0.067739 0.000092 Ag\n0.244376 0.795120 0.408203 Ag\n0.308696 0.733013 0.158770 Ag\n0.449979 0.166018 0.905031 Ag\n0.420479 0.689587 0.478329 Ag\n0.728775 0.436795 0.041570 Te\n0.731976 0.525710 0.785857 Te\n0.716284 0.945789 0.540223 Te\n0.762508 0.033089 0.778952 Te\n0.773793 0.678223 0.437949 Te\n0.770997 0.291853 0.704481 Te\n0.262508 0.966911 0.721048 Te\n0.227467 0.212654 0.795528 Te\n0.231976 0.474290 0.714143 Te\n0.727467 0.787346 0.704472 Te\n0.195863 0.815277 0.050286 Te\n0.771225 0.436795 0.541570 Te\n0.772533 0.787346 0.204472 Te\n0.768024 0.525710 0.285857 Te\n0.726207 0.678223 0.937949 Te\n0.729003 0.291853 0.204481 Te\n0.272533 0.212654 0.295529 Te\n0.268024 0.474290 0.214143 Te\n0.304137 0.815277 0.550286 Te\n0.271225 0.563205 0.958430 Te\n0.737492 0.033089 0.278952 Te\n0.226207 0.321777 0.562051 Te\n0.237492 0.966911 0.221048 Te\n0.229003 0.708147 0.295519 Te\n0.216284 0.054211 0.959777 Te\n0.804137 0.184723 0.949714 Te\n0.270997 0.708147 0.795519 Te\n0.273793 0.321777 0.062051 Te\n0.695863 0.184723 0.449714 Te\n0.283716 0.054211 0.459777 Te\n0.783716 0.945789 0.040223 Te\n0.228775 0.563205 0.458430 Te\n0.986293 0.369967 0.872382 Cl\n0.986607 0.876831 0.874771 Cl\n0.011867 0.374563 0.376922 Cl\n0.513190 0.878666 0.879222 Cl\n0.486607 0.123169 0.625229 Cl\n0.488133 0.374563 0.876922 Cl\n0.511867 0.625437 0.123078 Cl\n0.486810 0.121334 0.120778 Cl\n0.013707 0.630033 0.127618 Cl\n0.986810 0.878666 0.379222 Cl\n0.513707 0.369967 0.372382 Cl\n0.988133 0.625437 0.623078 Cl\n0.486293 0.630033 0.627618 Cl\n0.013393 0.123169 0.125229 Cl\n0.513393 0.876831 0.374771 Cl\n0.013190 0.121334 0.620778 Cl\n",
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{
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"structure_string": "Y6 Ge12 N22\n1.0\n10.369628 0.000000 0.000000\n0.000000 10.369628 0.000000\n0.000000 0.000000 5.165254\nY Ge N\n6 12 22\ndirect\n0.316655 0.816655 0.968066 Y\n0.683345 0.183345 0.968066 Y\n0.183345 0.316655 0.968066 Y\n0.816655 0.683345 0.968066 Y\n0.500000 0.500000 0.965310 Y\n0.000000 0.000000 0.965310 Y\n0.418780 0.294112 0.528151 Ge\n0.581220 0.705888 0.528151 Ge\n0.081220 0.794112 0.528151 Ge\n0.918780 0.205888 0.528151 Ge\n0.294112 0.581220 0.528151 Ge\n0.705888 0.418780 0.528151 Ge\n0.794112 0.918780 0.528151 Ge\n0.205888 0.081220 0.528151 Ge\n0.878843 0.378843 0.046483 Ge\n0.121157 0.621157 0.046483 Ge\n0.621157 0.878843 0.046483 Ge\n0.378843 0.121157 0.046483 Ge\n0.316557 0.422180 0.675190 N\n0.683443 0.577820 0.675190 N\n0.183443 0.922180 0.675190 N\n0.816557 0.077820 0.675190 N\n0.422180 0.683443 0.675190 N\n0.577820 0.316557 0.675190 N\n0.922180 0.816557 0.675190 N\n0.077820 0.183443 0.675190 N\n0.412911 0.288478 0.168906 N\n0.587089 0.711522 0.168906 N\n0.087089 0.788478 0.168906 N\n0.912911 0.211522 0.168906 N\n0.288478 0.587089 0.168906 N\n0.711522 0.412911 0.168906 N\n0.788478 0.912911 0.168906 N\n0.211522 0.087089 0.168906 N\n0.846864 0.346864 0.695736 N\n0.153136 0.653136 0.695736 N\n0.653136 0.846864 0.695736 N\n0.346864 0.153136 0.695736 N\n0.500000 0.000000 0.093674 N\n0.000000 0.500000 0.093674 N\n",
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}