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{
"id": "mp-1197757",
"created_at": "2022-09-04T14:42:05.479271Z",
"structure_string": "Ba20 Cd4 Hg99\n1.0\n0.000000 12.158253 12.158253\n12.158253 0.000000 12.158253\n12.158253 12.158253 0.000000\nBa Cd Hg\n20 4 99\ndirect\n0.595751 0.595751 0.212746 Ba\n0.595751 0.212746 0.595751 Ba\n0.212746 0.595751 0.595751 Ba\n0.595751 0.595751 0.595751 Ba\n0.842364 0.842364 0.472909 Ba\n0.842364 0.472909 0.842364 Ba\n0.472909 0.842364 0.842364 Ba\n0.842364 0.842364 0.842364 Ba\n0.184046 0.184046 0.815954 Ba\n0.815954 0.184046 0.815954 Ba\n0.184046 0.815954 0.815954 Ba\n0.815954 0.815954 0.184046 Ba\n0.184046 0.815954 0.184046 Ba\n0.815954 0.184046 0.184046 Ba\n0.053353 0.053353 0.446647 Ba\n0.446647 0.053353 0.446647 Ba\n0.053353 0.446647 0.446647 Ba\n0.446647 0.446647 0.053353 Ba\n0.053353 0.446647 0.053353 Ba\n0.446647 0.053353 0.053353 Ba\n0.123914 0.123914 0.628258 Cd\n0.123914 0.628258 0.123914 Cd\n0.628258 0.123914 0.123914 Cd\n0.123914 0.123914 0.123914 Cd\n0.418842 0.825899 0.107963 Hg\n0.647296 0.418842 0.107963 Hg\n0.825899 0.647296 0.107963 Hg\n0.647296 0.825899 0.107963 Hg\n0.825899 0.418842 0.107963 Hg\n0.418842 0.647296 0.107963 Hg\n0.647296 0.107963 0.825899 Hg\n0.825899 0.107963 0.418842 Hg\n0.418842 0.107963 0.647296 Hg\n0.418842 0.107963 0.825899 Hg\n0.647296 0.107963 0.418842 Hg\n0.825899 0.107963 0.647296 Hg\n0.107963 0.647296 0.418842 Hg\n0.107963 0.825899 0.647296 Hg\n0.107963 0.418842 0.825899 Hg\n0.107963 0.418842 0.647296 Hg\n0.107963 0.647296 0.825899 Hg\n0.107963 0.825899 0.418842 Hg\n0.825899 0.418842 0.647296 Hg\n0.418842 0.647296 0.825899 Hg\n0.647296 0.825899 0.418842 Hg\n0.825899 0.647296 0.418842 Hg\n0.418842 0.825899 0.647296 Hg\n0.647296 0.418842 0.825899 Hg\n0.618111 0.795181 0.968598 Hg\n0.618111 0.618111 0.968598 Hg\n0.795181 0.618111 0.968598 Hg\n0.618111 0.968598 0.795181 Hg\n0.795181 0.968598 0.618111 Hg\n0.618111 0.968598 0.618111 Hg\n0.968598 0.618111 0.618111 Hg\n0.968598 0.795181 0.618111 Hg\n0.968598 0.618111 0.795181 Hg\n0.795181 0.618111 0.618111 Hg\n0.618111 0.618111 0.795181 Hg\n0.618111 0.795181 0.618111 Hg\n0.994964 0.298856 0.711215 Hg\n0.994964 0.994964 0.711215 Hg\n0.298856 0.994964 0.711215 Hg\n0.994964 0.711215 0.298856 Hg\n0.298856 0.711215 0.994964 Hg\n0.994964 0.711215 0.994964 Hg\n0.711215 0.994964 0.994964 Hg\n0.711215 0.298856 0.994964 Hg\n0.711215 0.994964 0.298856 Hg\n0.298856 0.994964 0.994964 Hg\n0.994964 0.994964 0.298856 Hg\n0.994964 0.298856 0.994964 Hg\n0.453715 0.823803 0.268767 Hg\n0.453715 0.453715 0.268767 Hg\n0.823803 0.453715 0.268767 Hg\n0.453715 0.268767 0.823803 Hg\n0.823803 0.268767 0.453715 Hg\n0.453715 0.268767 0.453715 Hg\n0.268767 0.453715 0.453715 Hg\n0.268767 0.823803 0.453715 Hg\n0.268767 0.453715 0.823803 Hg\n0.823803 0.453715 0.453715 Hg\n0.453715 0.453715 0.823803 Hg\n0.453715 0.823803 0.453715 Hg\n0.201167 0.201167 0.396499 Hg\n0.201167 0.396499 0.201167 Hg\n0.396499 0.201167 0.201167 Hg\n0.201167 0.201167 0.201167 Hg\n0.326185 0.326185 0.021446 Hg\n0.326185 0.021446 0.326185 Hg\n0.021446 0.326185 0.326185 Hg\n0.326185 0.326185 0.326185 Hg\n0.454187 0.454187 0.637439 Hg\n0.454187 0.637439 0.454187 Hg\n0.637439 0.454187 0.454187 Hg\n0.454187 0.454187 0.454187 Hg\n0.049368 0.049368 0.851897 Hg\n0.049368 0.851897 0.049368 Hg\n0.851897 0.049368 0.049368 Hg\n0.049368 0.049368 0.049368 Hg\n0.926381 0.926381 0.220858 Hg\n0.926381 0.220858 0.926381 Hg\n0.220858 0.926381 0.926381 Hg\n0.926381 0.926381 0.926381 Hg\n0.239793 0.960582 0.559832 Hg\n0.239793 0.239793 0.559832 Hg\n0.960582 0.239793 0.559832 Hg\n0.239793 0.559832 0.960582 Hg\n0.960582 0.559832 0.239793 Hg\n0.239793 0.559832 0.239793 Hg\n0.559832 0.239793 0.239793 Hg\n0.559832 0.960582 0.239793 Hg\n0.559832 0.239793 0.960582 Hg\n0.960582 0.239793 0.239793 Hg\n0.239793 0.239793 0.960582 Hg\n0.239793 0.960582 0.239793 Hg\n0.325277 0.325277 0.674723 Hg\n0.674723 0.325277 0.674723 Hg\n0.325277 0.674723 0.674723 Hg\n0.674723 0.674723 0.325277 Hg\n0.325277 0.674723 0.325277 Hg\n0.674723 0.325277 0.325277 Hg\n0.750000 0.750000 0.750000 Hg\n",
"nsites": 123,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 10.650329674940174,
"density_atomic": 0.03421854875953274,
"volume": 3594.541687444713,
"volume_molar": 17.59905366624389,
"formula_full": "Ba20 Cd4 Hg99",
"formula_reduced": "Ba20Cd4Hg99",
"formula_anonymous": "A4B20C99",
"energy": -109.77234757,
"energy_per_atom": -0.8924581103252032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.77234757,
"band_gap": 0.1421000000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.5201376,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:42.602000Z",
"spacegroup": 216
},
{
"id": "mp-1203085",
"created_at": "2022-09-04T14:48:08.534077Z",
"structure_string": "Na48 Y16 Si48 O144\n1.0\n15.407605 0.000000 0.000000\n0.000000 15.311616 0.000000\n0.000000 0.000000 15.221629\nNa Y Si O\n48 16 48 144\ndirect\n0.847693 0.870123 0.110747 Na\n0.652307 0.129877 0.610747 Na\n0.347693 0.629877 0.889253 Na\n0.152307 0.370123 0.389253 Na\n0.881067 0.668262 0.871089 Na\n0.618933 0.331738 0.371089 Na\n0.381067 0.831738 0.128911 Na\n0.118933 0.168262 0.628911 Na\n0.606495 0.592908 0.862922 Na\n0.893505 0.407092 0.362922 Na\n0.106495 0.907092 0.137078 Na\n0.393505 0.092908 0.637078 Na\n0.554605 0.945590 0.502853 Na\n0.945395 0.054410 0.002853 Na\n0.054605 0.554410 0.497147 Na\n0.445395 0.445590 0.997147 Na\n0.838988 0.622953 0.602085 Na\n0.661012 0.377047 0.102085 Na\n0.338988 0.877047 0.397915 Na\n0.161012 0.122953 0.897915 Na\n0.880060 0.901417 0.651686 Na\n0.619940 0.098583 0.151686 Na\n0.380060 0.598583 0.348314 Na\n0.119940 0.401417 0.848314 Na\n0.848455 0.621545 0.146414 Na\n0.651545 0.378455 0.646414 Na\n0.348455 0.878455 0.853586 Na\n0.151545 0.121545 0.353586 Na\n0.995863 0.508970 0.005135 Na\n0.504137 0.491030 0.505135 Na\n0.495863 0.991030 0.994865 Na\n0.004137 0.008970 0.494865 Na\n0.901210 0.842660 0.371780 Na\n0.598790 0.157340 0.871780 Na\n0.401210 0.657340 0.628220 Na\n0.098790 0.342660 0.128220 Na\n0.705079 0.746908 0.298447 Na\n0.794921 0.253092 0.798447 Na\n0.205079 0.753092 0.701553 Na\n0.294921 0.246909 0.201553 Na\n0.587385 0.626909 0.118616 Na\n0.912615 0.373091 0.618616 Na\n0.087385 0.873091 0.881384 Na\n0.412615 0.126909 0.381384 Na\n0.710141 0.792326 0.751066 Na\n0.789859 0.207674 0.251066 Na\n0.210141 0.707674 0.248934 Na\n0.289859 0.292326 0.748934 Na\n0.621951 0.874848 0.133655 Y\n0.878049 0.125152 0.633655 Y\n0.121951 0.625152 0.866345 Y\n0.378049 0.374848 0.366345 Y\n0.871543 0.629101 0.385567 Y\n0.628457 0.370899 0.885567 Y\n0.371543 0.870899 0.614433 Y\n0.128457 0.129101 0.114433 Y\n0.621023 0.612753 0.640749 Y\n0.878977 0.387247 0.140749 Y\n0.121023 0.887247 0.359251 Y\n0.378977 0.112753 0.859251 Y\n0.866205 0.884884 0.879494 Y\n0.633795 0.115116 0.379494 Y\n0.366205 0.615116 0.120506 Y\n0.133795 0.384884 0.620506 Y\n0.532766 0.967099 0.744784 Si\n0.967234 0.032901 0.244784 Si\n0.032766 0.532901 0.255216 Si\n0.467234 0.467099 0.755216 Si\n0.522679 0.747151 0.476722 Si\n0.977321 0.252849 0.976722 Si\n0.022679 0.752849 0.523278 Si\n0.477321 0.247151 0.023278 Si\n0.771782 0.971668 0.488142 Si\n0.728218 0.028332 0.988142 Si\n0.271782 0.528332 0.511858 Si\n0.228218 0.471668 0.011858 Si\n0.976843 0.531547 0.722365 Si\n0.523157 0.468453 0.222365 Si\n0.476843 0.968453 0.277635 Si\n0.023157 0.031547 0.777635 Si\n0.506684 0.773878 0.775606 Si\n0.993316 0.226122 0.275606 Si\n0.006684 0.726122 0.224394 Si\n0.493316 0.273878 0.724394 Si\n0.776591 0.974376 0.279181 Si\n0.723409 0.025624 0.779181 Si\n0.276591 0.525624 0.720819 Si\n0.223409 0.474376 0.220819 Si\n0.715933 0.503207 0.277476 Si\n0.784067 0.496793 0.777476 Si\n0.215933 0.996793 0.722524 Si\n0.284067 0.003207 0.222524 Si\n0.721250 0.775769 0.508372 Si\n0.778750 0.224231 0.008372 Si\n0.221250 0.724231 0.491628 Si\n0.278750 0.275769 0.991628 Si\n0.511154 0.750775 0.977905 Si\n0.988846 0.249225 0.477905 Si\n0.011154 0.749225 0.022095 Si\n0.488846 0.250775 0.522095 Si\n0.770342 0.528449 0.977174 Si\n0.729658 0.471551 0.477174 Si\n0.270342 0.971551 0.022826 Si\n0.229658 0.028449 0.522826 Si\n0.987390 0.740677 0.722287 Si\n0.512610 0.259323 0.222287 Si\n0.487390 0.759323 0.277713 Si\n0.012610 0.240677 0.777713 Si\n0.717426 0.733067 0.984180 Si\n0.782574 0.266933 0.484180 Si\n0.217426 0.766933 0.015820 Si\n0.282574 0.233067 0.515820 Si\n0.646641 0.986566 0.040228 O\n0.853359 0.013434 0.540228 O\n0.146641 0.513434 0.959772 O\n0.353359 0.486566 0.459772 O\n0.909027 0.791565 0.771320 O\n0.590973 0.208435 0.271320 O\n0.409027 0.708435 0.228680 O\n0.090973 0.291565 0.728680 O\n0.576627 0.759812 0.221088 O\n0.923373 0.240188 0.721088 O\n0.076627 0.740188 0.778912 O\n0.423373 0.259812 0.278912 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O\n0.684104 0.470408 0.377677 O\n0.315896 0.970408 0.122323 O\n0.184104 0.029592 0.622323 O\n0.968927 0.730714 0.121087 O\n0.531073 0.269286 0.621087 O\n0.468927 0.769286 0.878913 O\n0.031073 0.230714 0.378913 O\n0.799427 0.950521 0.384111 O\n0.700573 0.049479 0.884111 O\n0.299427 0.549479 0.615889 O\n0.200573 0.450521 0.115889 O\n0.523106 0.505441 0.673681 O\n0.976894 0.494559 0.173681 O\n0.023106 0.994559 0.326319 O\n0.476894 0.005441 0.826319 O\n0.621147 0.792701 0.468966 O\n0.878853 0.207299 0.968966 O\n0.121147 0.707299 0.531034 O\n0.378853 0.292701 0.031034 O\n0.526726 0.975560 0.185188 O\n0.973274 0.024440 0.685188 O\n0.026726 0.524440 0.814812 O\n0.473274 0.475560 0.314812 O\n0.776067 0.934495 0.772702 O\n0.723933 0.065505 0.272702 O\n0.276067 0.565505 0.227298 O\n0.223933 0.434495 0.727298 O\n0.757568 0.633365 0.004503 O\n0.742432 0.366635 0.504503 O\n0.257568 0.866635 0.995497 O\n0.242432 0.133365 0.495497 O\n0.997599 0.787130 0.624281 O\n0.502401 0.212870 0.124281 O\n0.497599 0.712870 0.375719 O\n0.002401 0.287130 0.875719 O\n0.565478 0.864735 0.766420 O\n0.934522 0.135265 0.266420 O\n0.065478 0.635265 0.233580 O\n0.434522 0.364735 0.733580 O\n0.510410 0.838400 0.037208 O\n0.989590 0.161600 0.537208 O\n0.010410 0.661600 0.962792 O\n0.489590 0.338400 0.462792 O\n0.817005 0.971400 0.990030 O\n0.682995 0.028600 0.490030 O\n0.317005 0.528600 0.009970 O\n0.182995 0.471400 0.509970 O\n0.979869 0.531021 0.348184 O\n0.520131 0.468979 0.848184 O\n0.479869 0.968979 0.651816 O\n0.020131 0.031021 0.151816 O\n0.823445 0.519125 0.473170 O\n0.676555 0.480875 0.973170 O\n0.323445 0.980875 0.526830 O\n0.176555 0.019125 0.026830 O\n0.953847 0.637498 0.703706 O\n0.546153 0.362502 0.203706 O\n0.453847 0.862502 0.296294 O\n0.046153 0.137498 0.796294 O\n0.766373 0.596244 0.280182 O\n0.733627 0.403756 0.780182 O\n0.266373 0.903756 0.719818 O\n0.233627 0.096244 0.219818 O\n0.874945 0.977266 0.231695 O\n0.625055 0.022734 0.731695 O\n0.374945 0.522734 0.768305 O\n0.125055 0.477266 0.268305 O\n0.975579 0.984699 0.860076 O\n0.524421 0.015301 0.360076 O\n0.475579 0.515301 0.139924 O\n0.024421 0.484699 0.639924 O\n0.570809 0.693467 0.754510 O\n0.929191 0.306533 0.254510 O\n0.070809 0.806533 0.245490 O\n0.429191 0.193467 0.745490 O\n0.957044 0.674473 0.495423 O\n0.542956 0.325527 0.995423 O\n0.457044 0.825527 0.504577 O\n0.042956 0.174473 0.004577 O\n0.780995 0.736256 0.429982 O\n0.719005 0.263744 0.929982 O\n0.280995 0.763744 0.570018 O\n0.219005 0.236256 0.070018 O\n0.729562 0.891842 0.232746 O\n0.770438 0.108158 0.732746 O\n0.229562 0.608158 0.767254 O\n0.270438 0.391842 0.267254 O\n0.723387 0.785436 0.075726 O\n0.776613 0.214564 0.575726 O\n0.223387 0.714564 0.924274 O\n0.276613 0.285436 0.424274 O\n0.660725 0.507513 0.547335 O\n0.839275 0.492487 0.047335 O\n0.160725 0.992487 0.452665 O\n0.339275 0.007513 0.952665 O\n0.768083 0.773254 0.900895 O\n0.731917 0.226746 0.400895 O\n0.268083 0.726746 0.099105 O\n0.231917 0.273254 0.599105 O\n",
"nsites": 256,
"nelements": 4,
"elements": [
"Na",
"Y",
"Si",
"O"
],
"chemical_system": "Na-O-Si-Y",
"density": 2.856808429546861,
"density_atomic": 0.07128902381007206,
"volume": 3591.0156475425197,
"volume_molar": 8.447500664399845,
"formula_full": "Na48 Y16 Si48 O144",
"formula_reduced": "Na3Y(SiO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -1935.06790365,
"energy_per_atom": -7.558858998632813,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1836.13990365,
"band_gap": 4.2352,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0051957,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:30.238000Z",
"spacegroup": 19
},
{
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{
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"elements": [
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{
"id": "mp-1202057",
"created_at": "2022-09-04T14:39:12.774007Z",
"structure_string": "Yb72 Sn46\n1.0\n12.380982 0.000000 0.000000\n0.000000 12.380982 0.000000\n0.000000 0.000000 23.310990\nYb Sn\n72 46\ndirect\n0.000000 0.500000 0.872539 Yb\n0.500000 0.000000 0.872539 Yb\n0.000000 0.500000 0.127461 Yb\n0.500000 0.000000 0.127461 Yb\n0.000000 0.500000 0.721262 Yb\n0.500000 0.000000 0.721262 Yb\n0.000000 0.500000 0.278738 Yb\n0.500000 0.000000 0.278738 Yb\n0.000000 0.500000 0.571748 Yb\n0.500000 0.000000 0.571748 Yb\n0.000000 0.500000 0.428252 Yb\n0.500000 0.000000 0.428252 Yb\n0.333295 0.833295 0.000000 Yb\n0.666705 0.166705 0.000000 Yb\n0.166705 0.333295 0.000000 Yb\n0.833295 0.666705 0.000000 Yb\n0.715203 0.581382 0.500000 Yb\n0.284797 0.418618 0.500000 Yb\n0.784797 0.081382 0.500000 Yb\n0.215203 0.918618 0.500000 Yb\n0.581382 0.284797 0.500000 Yb\n0.418618 0.715203 0.500000 Yb\n0.081382 0.215203 0.500000 Yb\n0.918618 0.784797 0.500000 Yb\n0.787457 0.913359 0.631112 Yb\n0.212543 0.086641 0.631112 Yb\n0.712543 0.413359 0.631112 Yb\n0.287457 0.586641 0.631112 Yb\n0.913359 0.212543 0.631112 Yb\n0.086641 0.787457 0.631112 Yb\n0.413359 0.287457 0.631112 Yb\n0.586641 0.712543 0.631112 Yb\n0.212543 0.086641 0.368888 Yb\n0.787457 0.913359 0.368888 Yb\n0.287457 0.586641 0.368888 Yb\n0.712543 0.413359 0.368888 Yb\n0.086641 0.787457 0.368888 Yb\n0.913359 0.212543 0.368888 Yb\n0.586641 0.712543 0.368888 Yb\n0.413359 0.287457 0.368888 Yb\n0.712615 0.575860 0.760972 Yb\n0.287385 0.424140 0.760972 Yb\n0.787385 0.075860 0.760972 Yb\n0.212615 0.924140 0.760972 Yb\n0.575860 0.287385 0.760972 Yb\n0.424140 0.712615 0.760972 Yb\n0.075860 0.212615 0.760972 Yb\n0.924140 0.787385 0.760972 Yb\n0.287385 0.424140 0.239028 Yb\n0.712615 0.575860 0.239028 Yb\n0.212615 0.924140 0.239028 Yb\n0.787385 0.075860 0.239028 Yb\n0.424140 0.712615 0.239028 Yb\n0.575860 0.287385 0.239028 Yb\n0.924140 0.787385 0.239028 Yb\n0.075860 0.212615 0.239028 Yb\n0.291220 0.555570 0.908704 Yb\n0.708780 0.444430 0.908704 Yb\n0.208780 0.055570 0.908704 Yb\n0.791220 0.944430 0.908704 Yb\n0.555570 0.708780 0.908704 Yb\n0.444430 0.291220 0.908704 Yb\n0.055570 0.791220 0.908704 Yb\n0.944430 0.208780 0.908704 Yb\n0.708780 0.444430 0.091296 Yb\n0.291220 0.555570 0.091296 Yb\n0.791220 0.944430 0.091296 Yb\n0.208780 0.055570 0.091296 Yb\n0.444430 0.291220 0.091296 Yb\n0.555570 0.708780 0.091296 Yb\n0.944430 0.208780 0.091296 Yb\n0.055570 0.791220 0.091296 Yb\n0.500000 0.500000 0.833185 Sn\n0.000000 0.000000 0.833185 Sn\n0.500000 0.500000 0.166815 Sn\n0.000000 0.000000 0.166815 Sn\n0.500000 0.500000 0.698128 Sn\n0.000000 0.000000 0.698128 Sn\n0.500000 0.500000 0.301872 Sn\n0.000000 0.000000 0.301872 Sn\n0.500000 0.500000 0.566468 Sn\n0.000000 0.000000 0.566468 Sn\n0.500000 0.500000 0.433532 Sn\n0.000000 0.000000 0.433532 Sn\n0.088466 0.588466 0.000000 Sn\n0.911534 0.411534 0.000000 Sn\n0.411534 0.088466 0.000000 Sn\n0.588466 0.911534 0.000000 Sn\n0.163108 0.663108 0.785583 Sn\n0.836892 0.336892 0.785583 Sn\n0.336892 0.163108 0.785583 Sn\n0.663108 0.836892 0.785583 Sn\n0.836892 0.336892 0.214417 Sn\n0.163108 0.663108 0.214417 Sn\n0.663108 0.836892 0.214417 Sn\n0.336892 0.163108 0.214417 Sn\n0.304785 0.804785 0.869094 Sn\n0.695215 0.195215 0.869094 Sn\n0.195215 0.304785 0.869094 Sn\n0.804785 0.695215 0.869094 Sn\n0.695215 0.195215 0.130906 Sn\n0.304785 0.804785 0.130906 Sn\n0.804785 0.695215 0.130906 Sn\n0.195215 0.304785 0.130906 Sn\n0.500000 0.500000 0.000000 Sn\n0.000000 0.000000 0.000000 Sn\n0.157155 0.657155 0.500000 Sn\n0.842845 0.342845 0.500000 Sn\n0.342845 0.157155 0.500000 Sn\n0.657155 0.842845 0.500000 Sn\n0.347774 0.847774 0.640805 Sn\n0.652226 0.152226 0.640805 Sn\n0.152226 0.347774 0.640805 Sn\n0.847774 0.652226 0.640805 Sn\n0.652226 0.152226 0.359195 Sn\n0.347774 0.847774 0.359195 Sn\n0.847774 0.652226 0.359195 Sn\n0.152226 0.347774 0.359195 Sn\n",
"nsites": 118,
"nelements": 2,
"elements": [
"Yb",
"Sn"
],
"chemical_system": "Sn-Yb",
"density": 8.327316127970342,
"density_atomic": 0.033022587897749145,
"volume": 3573.311709105724,
"volume_molar": 18.236428891178683,
"formula_full": "Yb72 Sn46",
"formula_reduced": "Yb36Sn23",
"formula_anonymous": "A23B36",
"energy": -371.45639059,
"energy_per_atom": -3.1479355134745766,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.45639059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.93111,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.500000Z",
"spacegroup": 127
}
]
}