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{
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{
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{
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"structure_string": "Lu12 Co4 Sn2\n1.0\n-4.603489 4.668144 4.866075\n4.603489 -4.668144 4.866075\n4.603489 4.668144 -4.866075\nLu Co Sn\n12 4 2\ndirect\n0.446922 0.235807 0.211114 Lu\n0.553078 0.764193 0.788886 Lu\n0.024693 0.235807 0.788886 Lu\n0.975307 0.764193 0.211114 Lu\n0.184678 0.285241 0.469920 Lu\n0.815322 0.714759 0.530080 Lu\n0.184678 0.714759 0.899437 Lu\n0.815322 0.285241 0.100563 Lu\n0.320215 0.628506 0.308291 Lu\n0.679785 0.371494 0.691709 Lu\n0.320215 0.011924 0.691709 Lu\n0.679785 0.988076 0.308291 Lu\n0.362879 0.000000 0.362879 Co\n0.637121 0.000000 0.637121 Co\n0.114475 0.614475 0.500000 Co\n0.885525 0.385525 0.500000 Co\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Lu12 Co4 Sn2",
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{
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{
"id": "mp-1102191",
"created_at": "2022-09-04T14:39:57.391149Z",
"structure_string": "Dy4 Al4 Au4\n1.0\n4.468683 0.000000 0.000000\n0.000000 7.212897 0.000000\n0.000000 0.000000 7.796874\nDy Al Au\n4 4 4\ndirect\n0.250000 0.009213 0.305652 Dy\n0.250000 0.509213 0.194348 Dy\n0.750000 0.990787 0.694348 Dy\n0.750000 0.490787 0.805652 Dy\n0.250000 0.168591 0.923673 Al\n0.250000 0.668591 0.576327 Al\n0.750000 0.831409 0.076327 Al\n0.750000 0.331409 0.423673 Al\n0.250000 0.285417 0.597808 Au\n0.250000 0.785417 0.902192 Au\n0.750000 0.714583 0.402192 Au\n0.750000 0.214583 0.097808 Au\n",
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],
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{
"id": "mp-1193089",
"created_at": "2022-09-04T14:45:35.524377Z",
"structure_string": "Hf6 Ga16 Rh7\n1.0\n0.000000 6.182279 6.182279\n6.182279 0.000000 6.182279\n6.182279 6.182279 0.000000\nHf Ga Rh\n6 16 7\ndirect\n0.690823 0.690823 0.309177 Hf\n0.309177 0.690823 0.309177 Hf\n0.690823 0.309177 0.309177 Hf\n0.309177 0.309177 0.690823 Hf\n0.690823 0.309177 0.690823 Hf\n0.309177 0.690823 0.690823 Hf\n0.878212 0.878212 0.365365 Ga\n0.878212 0.365365 0.878212 Ga\n0.365365 0.878212 0.878212 Ga\n0.878212 0.878212 0.878212 Ga\n0.121788 0.121788 0.634635 Ga\n0.121788 0.634635 0.121788 Ga\n0.634635 0.121788 0.121788 Ga\n0.121788 0.121788 0.121788 Ga\n0.656380 0.656380 0.030860 Ga\n0.656380 0.030860 0.656380 Ga\n0.030860 0.656380 0.656380 Ga\n0.656380 0.656380 0.656380 Ga\n0.343620 0.343620 0.969140 Ga\n0.343620 0.969140 0.343620 Ga\n0.969140 0.343620 0.343620 Ga\n0.343620 0.343620 0.343620 Ga\n0.000000 0.000000 0.000000 Rh\n0.000000 0.000000 0.500000 Rh\n0.500000 0.000000 0.500000 Rh\n0.000000 0.500000 0.500000 Rh\n0.500000 0.500000 0.000000 Rh\n0.000000 0.500000 0.000000 Rh\n0.500000 0.000000 0.000000 Rh\n",
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{
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"structure_string": "Mn1 Be2 Pt1\n1.0\n0.000000 2.792974 2.792974\n2.792974 0.000000 2.792974\n2.792974 2.792974 0.000000\nMn Be Pt\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Mn\n0.750000 0.750000 0.750000 Be\n0.250000 0.250000 0.250000 Be\n0.000000 0.000000 0.000000 Pt\n",
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{
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"structure_string": "Ta84 Te52\n1.0\n19.571244 -0.000147 0.000936\n-9.785750 16.948983 0.004163\n0.000507 0.002832 10.700234\nTa Te\n84 52\ndirect\n0.287234 0.428243 0.677389 Ta\n0.714550 0.285322 0.718096 Ta\n0.500008 0.000049 0.396825 Ta\n0.712675 0.571662 0.677262 Ta\n0.425231 0.574499 0.552565 Ta\n0.731594 0.731648 0.599455 Ta\n0.852181 0.852209 0.801983 Ta\n0.666625 0.333296 0.491502 Ta\n0.145635 0.854464 0.759515 Ta\n0.291128 0.145606 0.759498 Ta\n0.287302 0.858981 0.677323 Ta\n0.330270 0.917162 0.421424 Ta\n0.854420 0.708827 0.759504 Ta\n0.586880 0.917161 0.421442 Ta\n0.428233 0.140990 0.677338 Ta\n0.500539 0.250296 0.466912 Ta\n0.250351 0.749694 0.466905 Ta\n0.163541 0.836564 0.493739 Ta\n0.330184 0.413122 0.421475 Ta\n0.586814 0.669766 0.421474 Ta\n0.141012 0.428244 0.677363 Ta\n0.850719 0.425255 0.552590 Ta\n0.326891 0.163492 0.493682 Ta\n0.000108 0.499976 0.396823 Ta\n0.574624 0.149307 0.552624 Ta\n0.427934 0.000025 0.637412 Ta\n0.082971 0.413138 0.421420 Ta\n0.836603 0.163501 0.493666 Ta\n0.499340 0.749680 0.466982 Ta\n0.147850 0.000063 0.801942 Ta\n0.731663 0.000080 0.599528 Ta\n0.285367 0.570724 0.718068 Ta\n0.285371 0.714517 0.718066 Ta\n0.000056 0.852226 0.801993 Ta\n0.854486 0.145607 0.759508 Ta\n0.083094 0.166176 0.568543 Ta\n0.916993 0.083119 0.568610 Ta\n0.082989 0.669796 0.421395 Ta\n0.712734 0.140993 0.677358 Ta\n0.413129 0.082938 0.421456 Ta\n0.145591 0.291143 0.759511 Ta\n0.749677 0.499363 0.467017 Ta\n0.000096 0.000144 0.677336 Ta\n0.708806 0.854433 0.759506 Ta\n0.572061 0.000025 0.637400 Ta\n0.000082 0.268372 0.599629 Ta\n0.413061 0.330239 0.421513 Ta\n0.571967 0.572009 0.637361 Ta\n0.083113 0.916992 0.568720 Ta\n0.149268 0.574523 0.552580 Ta\n0.000063 0.427906 0.637442 Ta\n0.428206 0.287243 0.677379 Ta\n0.268250 0.268309 0.599668 Ta\n0.425355 0.850758 0.552563 Ta\n0.163478 0.326919 0.493666 Ta\n0.852227 0.000069 0.801950 Ta\n0.250298 0.500572 0.466852 Ta\n0.917196 0.586893 0.421454 Ta\n0.268390 0.000052 0.599550 Ta\n0.574512 0.425228 0.552588 Ta\n0.499866 0.499939 0.396841 Ta\n0.000064 0.572042 0.637360 Ta\n0.833877 0.916986 0.568752 Ta\n0.669806 0.082947 0.421442 Ta\n0.859042 0.287264 0.677377 Ta\n0.916968 0.833904 0.568792 Ta\n0.571651 0.858966 0.677263 Ta\n0.836523 0.673035 0.493809 Ta\n0.000105 0.731634 0.599443 Ta\n0.917198 0.330260 0.421458 Ta\n0.000052 0.147846 0.801908 Ta\n0.147820 0.147851 0.801889 Ta\n0.429113 0.714495 0.718041 Ta\n0.570731 0.285338 0.718084 Ta\n0.333311 0.666621 0.491577 Ta\n0.166155 0.083120 0.568580 Ta\n0.858995 0.571670 0.677242 Ta\n0.571625 0.712683 0.677261 Ta\n0.669714 0.586876 0.421499 Ta\n0.427850 0.427893 0.637453 Ta\n0.749729 0.250306 0.466888 Ta\n0.673009 0.836536 0.493812 Ta\n0.714518 0.429103 0.718067 Ta\n0.141051 0.712696 0.677294 Ta\n0.999961 0.328204 0.840506 Te\n0.205393 0.602771 0.307197 Te\n0.220351 0.440698 0.908617 Te\n0.671809 0.999914 0.840468 Te\n0.801587 0.603101 0.254843 Te\n0.396975 0.198500 0.254788 Te\n0.111339 0.888586 0.000743 Te\n0.999950 0.671886 0.840460 Te\n0.557676 0.442440 0.809817 Te\n0.198491 0.397005 0.254773 Te\n0.328129 0.999914 0.840476 Te\n0.801422 0.801417 0.369623 Te\n0.999970 0.801400 0.369631 Te\n0.440706 0.220334 0.908600 Te\n0.999992 0.198632 0.369618 Te\n0.794711 0.397425 0.307188 Te\n0.220323 0.779591 0.908613 Te\n0.397328 0.794641 0.307208 Te\n0.000053 0.400790 0.196698 Te\n0.400729 0.400773 0.196827 Te\n0.400736 0.000016 0.196743 Te\n0.801575 0.198523 0.254780 Te\n0.328279 0.328265 0.840450 Te\n0.671903 0.671887 0.840390 Te\n0.666645 0.333315 0.939080 Te\n0.603054 0.801585 0.254845 Te\n0.333319 0.666636 0.939001 Te\n0.888596 0.777213 0.000737 Te\n0.599308 0.599351 0.196877 Te\n0.198515 0.801571 0.254800 Te\n0.559252 0.779576 0.908577 Te\n0.442428 0.557691 0.809830 Te\n0.397374 0.602765 0.307193 Te\n0.999930 0.999897 0.422289 Te\n0.801374 0.999947 0.369634 Te\n0.602671 0.205318 0.307181 Te\n0.999955 0.999917 0.933926 Te\n0.779596 0.559249 0.908564 Te\n0.779602 0.220309 0.908615 Te\n0.000082 0.599355 0.196751 Te\n0.602723 0.397452 0.307166 Te\n0.884702 0.442394 0.809840 Te\n0.599314 0.000041 0.196748 Te\n0.222666 0.111305 0.000739 Te\n0.777235 0.888588 0.000706 Te\n0.557643 0.115281 0.809873 Te\n0.115328 0.557686 0.809889 Te\n0.198590 0.999968 0.369624 Te\n0.888607 0.111314 0.000768 Te\n0.442343 0.884655 0.809867 Te\n0.111319 0.222652 0.000741 Te\n0.198640 0.198632 0.369608 Te\n",
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{
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"structure_string": "Ni1 Pd1\n1.0\n4.329601 -1.348751 0.000000\n4.329601 1.348751 0.000000\n3.909440 0.000000 2.298011\nNi Pd\n1 1\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Pd\n",
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"updated_at": "2021-11-28T01:34:44.530000Z",
"spacegroup": 166
},
{
"id": "mp-1225605",
"created_at": "2022-09-04T14:45:58.825208Z",
"structure_string": "Er2 Ag2 Pb2\n1.0\n-2.431285 -4.214142 -0.000028\n-4.862570 0.000000 0.000000\n0.000000 -0.000375 -7.651996\nEr Ag Pb\n2 2 2\ndirect\n0.999838 0.000081 0.714049 Er\n0.000162 0.999919 0.285951 Er\n0.333231 0.333384 0.515002 Ag\n0.666769 0.666616 0.484998 Ag\n0.665999 0.667000 0.077748 Pb\n0.334001 0.333000 0.922252 Pb\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Er",
"Ag",
"Pb"
],
"chemical_system": "Ag-Er-Pb",
"density": 10.215769397457974,
"density_atomic": 0.038264979439964764,
"volume": 156.801338660422,
"volume_molar": 15.737995546158185,
"formula_full": "Er2 Ag2 Pb2",
"formula_reduced": "ErAgPb",
"formula_anonymous": "ABC",
"energy": -23.15813775,
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"is_stable": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:15.078000Z",
"spacegroup": 164
},
{
"id": "mp-1199847",
"created_at": "2022-09-04T14:41:49.679549Z",
"structure_string": "Dy20 Pb16\n1.0\n-8.207078 0.000000 0.000000\n0.000000 0.000000 -8.276950\n0.000000 -15.709014 0.000000\nDy Pb\n20 16\ndirect\n0.376374 0.841169 0.879474 Dy\n0.876374 0.658831 0.620526 Dy\n0.623626 0.158831 0.379474 Dy\n0.123626 0.341169 0.120526 Dy\n0.623626 0.158831 0.120526 Dy\n0.123626 0.341169 0.379474 Dy\n0.376374 0.841169 0.620526 Dy\n0.876374 0.658831 0.879474 Dy\n0.536355 0.322988 0.899873 Dy\n0.036355 0.177012 0.600127 Dy\n0.463645 0.677012 0.399873 Dy\n0.963645 0.822988 0.100127 Dy\n0.463645 0.677012 0.100127 Dy\n0.963645 0.822988 0.399873 Dy\n0.536355 0.322988 0.600127 Dy\n0.036355 0.177012 0.899873 Dy\n0.208382 0.504092 0.750000 Dy\n0.708382 0.995908 0.750000 Dy\n0.791618 0.495908 0.250000 Dy\n0.291618 0.004092 0.250000 Dy\n0.281311 0.032210 0.042497 Pb\n0.781311 0.467790 0.457503 Pb\n0.718689 0.967790 0.542497 Pb\n0.218689 0.532210 0.957503 Pb\n0.718689 0.967790 0.957503 Pb\n0.218689 0.532210 0.542497 Pb\n0.281311 0.032210 0.457503 Pb\n0.781311 0.467790 0.042497 Pb\n0.570800 0.626333 0.750000 Pb\n0.070800 0.873667 0.750000 Pb\n0.429200 0.373667 0.250000 Pb\n0.929200 0.126333 0.250000 Pb\n0.346423 0.153142 0.750000 Pb\n0.846423 0.346858 0.750000 Pb\n0.653577 0.846858 0.250000 Pb\n0.153577 0.653142 0.250000 Pb\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Dy",
"Pb"
],
"chemical_system": "Dy-Pb",
"density": 10.216196529491958,
"density_atomic": 0.033736084931649736,
"volume": 1067.1066329402781,
"volume_molar": 17.850739859711133,
"formula_full": "Dy20 Pb16",
"formula_reduced": "Dy5Pb4",
"formula_anonymous": "A4B5",
"energy": -170.56068841,
"energy_per_atom": -4.737796900277778,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -170.56068841,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.3790382,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:36.331000Z",
"spacegroup": 62
}
]
}