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"results": [
{
"id": "mp-1232089",
"created_at": "2022-09-04T14:40:03.296496Z",
"structure_string": "Tm16 Mg8 Se32\n1.0\n7.821672 0.000000 0.000000\n0.000000 13.122735 0.000000\n0.000000 0.000000 13.387312\nTm Mg Se\n16 8 32\ndirect\n0.883864 0.107725 0.686346 Tm\n0.116136 0.892275 0.186346 Tm\n0.883864 0.392275 0.186346 Tm\n0.116136 0.607725 0.686346 Tm\n0.382297 0.126934 0.326184 Tm\n0.617703 0.873066 0.826184 Tm\n0.382297 0.373066 0.826184 Tm\n0.617703 0.626934 0.326184 Tm\n0.630347 0.133704 0.990450 Tm\n0.369653 0.866296 0.490450 Tm\n0.630347 0.366296 0.490450 Tm\n0.369653 0.633704 0.990450 Tm\n0.130297 0.133741 0.991221 Tm\n0.869703 0.866259 0.491221 Tm\n0.130297 0.366259 0.491221 Tm\n0.869703 0.633741 0.991221 Tm\n0.382916 0.111540 0.690477 Mg\n0.617084 0.888460 0.190477 Mg\n0.382916 0.388460 0.190477 Mg\n0.617084 0.611540 0.690477 Mg\n0.879429 0.126234 0.321468 Mg\n0.120571 0.873766 0.821468 Mg\n0.879429 0.373766 0.821468 Mg\n0.120571 0.626234 0.321468 Mg\n0.876880 0.013925 0.877448 Se\n0.123120 0.986075 0.377448 Se\n0.876880 0.486075 0.377448 Se\n0.123120 0.513925 0.877448 Se\n0.377087 0.033775 0.131028 Se\n0.622913 0.966225 0.631028 Se\n0.377087 0.466225 0.631028 Se\n0.622913 0.533775 0.131028 Se\n0.375385 0.022234 0.870760 Se\n0.624615 0.977766 0.370760 Se\n0.375385 0.477766 0.370760 Se\n0.624615 0.522234 0.870760 Se\n0.875805 0.043417 0.135542 Se\n0.124195 0.956583 0.635542 Se\n0.875805 0.456583 0.635542 Se\n0.124195 0.543417 0.135542 Se\n0.880994 0.211619 0.504325 Se\n0.119006 0.788381 0.004325 Se\n0.880994 0.288381 0.004325 Se\n0.119006 0.711619 0.504325 Se\n0.380786 0.213106 0.517477 Se\n0.619214 0.786894 0.017477 Se\n0.380786 0.286894 0.017477 Se\n0.619214 0.713106 0.517477 Se\n0.131095 0.231530 0.776420 Se\n0.868905 0.768470 0.276420 Se\n0.131095 0.268470 0.276420 Se\n0.868905 0.731530 0.776420 Se\n0.634333 0.232327 0.777855 Se\n0.365667 0.767673 0.277855 Se\n0.634333 0.267673 0.277855 Se\n0.365667 0.732327 0.777855 Se\n",
"nsites": 56,
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"formula_full": "Tm16 Mg8 Se32",
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"spacegroup": 29
},
{
"id": "mp-1031185",
"created_at": "2022-09-04T14:39:58.035041Z",
"structure_string": "Li1 Mg6 B1 O7\n1.0\n8.471884 -0.000000 0.000000\n-0.000000 4.182368 0.000000\n0.000000 0.000000 4.182368\nLi Mg B O\n1 6 1 7\ndirect\n0.996549 0.000000 -0.000000 Li\n0.498880 0.000000 0.000000 Mg\n0.490833 0.500000 0.500000 Mg\n0.224661 0.000000 0.500000 Mg\n0.764976 0.000000 0.500000 Mg\n0.224661 0.500000 0.000000 Mg\n0.764976 0.500000 0.000000 Mg\n0.977484 0.500000 0.500000 B\n0.255225 -0.000000 0.000000 O\n0.741356 0.000000 -0.000000 O\n0.806592 0.500000 0.500000 O\n0.996934 0.000000 0.500000 O\n0.504970 -0.000000 0.500000 O\n0.996934 0.500000 0.000000 O\n0.504970 0.500000 0.000000 O\n",
"nsites": 15,
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"elements": [
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"B",
"O"
],
"chemical_system": "B-Li-Mg-O",
"density": 3.087939902284867,
"density_atomic": 0.10122010239797888,
"volume": 148.19190698921398,
"volume_molar": 5.949550155879162,
"formula_full": "Li1 Mg6 B1 O7",
"formula_reduced": "LiMg6BO7",
"formula_anonymous": "ABC6D7",
"energy": -88.41282737,
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"updated_at": "2021-11-28T01:35:04.262000Z",
"spacegroup": 99
},
{
"id": "mp-1111622",
"created_at": "2022-09-04T14:40:01.996079Z",
"structure_string": "K2 Na1 Tb1 Cl6\n1.0\n0.000000 5.375459 5.375459\n5.375459 0.000000 5.375459\n5.375459 5.375459 0.000000\nK Na Tb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Tb\n0.754505 0.245495 0.245495 Cl\n0.245495 0.245495 0.754505 Cl\n0.245495 0.754505 0.754505 Cl\n0.245495 0.754505 0.245495 Cl\n0.754505 0.245495 0.754505 Cl\n0.754505 0.754505 0.245495 Cl\n",
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"density_atomic": 0.03219017540236364,
"volume": 310.6537903259057,
"volume_molar": 18.708008529701303,
"formula_full": "K2 Na1 Tb1 Cl6",
"formula_reduced": "K2NaTbCl6",
"formula_anonymous": "ABC2D6",
"energy": -43.51365791,
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"spacegroup": 225
},
{
"id": "mp-1147591",
"created_at": "2022-09-04T14:40:04.825224Z",
"structure_string": "Li24 Zn12 P16 S64\n1.0\n9.258801 0.000000 0.000000\n0.000000 11.637726 0.000000\n0.000000 0.028789 23.214240\nLi Zn P S\n24 12 16 64\ndirect\n0.253223 0.753381 0.997405 Li\n0.253223 0.246619 0.002595 Li\n0.751197 0.491811 0.122895 Li\n0.751197 0.508189 0.877105 Li\n0.494369 0.752092 0.623744 Li\n0.499499 0.249902 0.624694 Li\n0.499499 0.750098 0.375306 Li\n0.494369 0.247908 0.376256 Li\n0.997182 0.500000 0.500000 Li\n0.999456 0.000000 0.500000 Li\n0.503781 0.751672 0.127142 Li\n0.499921 0.246725 0.124830 Li\n0.003147 0.499248 0.252549 Li\n0.996692 0.999625 0.250530 Li\n0.499921 0.753275 0.875170 Li\n0.503781 0.248328 0.872858 Li\n0.009400 0.500000 0.000000 Li\n0.985149 0.000000 0.000000 Li\n0.003147 0.500752 0.747451 Li\n0.996692 0.000375 0.749470 Li\n0.518304 0.000000 0.000000 Li\n0.496325 0.500000 0.000000 Li\n0.001022 0.249677 0.127878 Li\n0.001022 0.750323 0.872122 Li\n0.499259 0.998961 0.751320 Zn\n0.492973 0.501773 0.747752 Zn\n0.499931 0.000000 0.500000 Zn\n0.501863 0.500000 0.500000 Zn\n0.999583 0.750457 0.624732 Zn\n0.000839 0.249339 0.624540 Zn\n0.499259 0.001039 0.248680 Zn\n0.492973 0.498227 0.252248 Zn\n0.000839 0.750661 0.375460 Zn\n0.999583 0.249543 0.375268 Zn\n0.000443 0.750220 0.125037 Zn\n0.000443 0.249780 0.874963 Zn\n0.249856 0.000761 0.625057 P\n0.248991 0.499904 0.624133 P\n0.249856 0.999239 0.374943 P\n0.248991 0.500096 0.375867 P\n0.749919 0.750265 0.499847 P\n0.749919 0.249735 0.500153 P\n0.249771 0.002642 0.126978 P\n0.251206 0.506322 0.123282 P\n0.752184 0.749212 0.250054 P\n0.745546 0.255506 0.251410 P\n0.249771 0.997358 0.873022 P\n0.251206 0.493678 0.876718 P\n0.751149 0.748364 0.000504 P\n0.751149 0.251636 0.999496 P\n0.745546 0.744494 0.748590 P\n0.752184 0.250788 0.749946 P\n0.130038 0.896239 0.821909 S\n0.129911 0.390654 0.822623 S\n0.135393 0.889427 0.573014 S\n0.133270 0.389384 0.572296 S\n0.626293 0.638846 0.695312 S\n0.633432 0.141220 0.699185 S\n0.135151 0.888192 0.322919 S\n0.137489 0.387589 0.323700 S\n0.636020 0.638797 0.447730 S\n0.635301 0.138780 0.448082 S\n0.130659 0.890658 0.072822 S\n0.132271 0.394672 0.073787 S\n0.631250 0.636235 0.199220 S\n0.635370 0.142648 0.198623 S\n0.630050 0.640976 0.948158 S\n0.631941 0.150536 0.947402 S\n0.364665 0.603228 0.568611 S\n0.364372 0.104512 0.569104 S\n0.360618 0.605867 0.319943 S\n0.365222 0.102641 0.319441 S\n0.864867 0.353651 0.444621 S\n0.864103 0.854576 0.444125 S\n0.373304 0.610895 0.071557 S\n0.370776 0.100600 0.071159 S\n0.867010 0.357982 0.198211 S\n0.862789 0.853236 0.193792 S\n0.369827 0.599065 0.822239 S\n0.369191 0.105107 0.820355 S\n0.873507 0.361043 0.944253 S\n0.879464 0.844676 0.949337 S\n0.865723 0.354320 0.694040 S\n0.862347 0.850245 0.694233 S\n0.135151 0.111808 0.677081 S\n0.137489 0.612411 0.676300 S\n0.135393 0.110573 0.426986 S\n0.133270 0.610616 0.427704 S\n0.635301 0.861220 0.551918 S\n0.636020 0.361203 0.552270 S\n0.130038 0.103761 0.178091 S\n0.129911 0.609346 0.177377 S\n0.633432 0.858780 0.300815 S\n0.626293 0.361154 0.304688 S\n0.130659 0.109342 0.927178 S\n0.132271 0.605328 0.926213 S\n0.631941 0.849464 0.052598 S\n0.630050 0.359024 0.051842 S\n0.635370 0.857352 0.801377 S\n0.631250 0.363765 0.800780 S\n0.365222 0.897359 0.680559 S\n0.360618 0.394133 0.680057 S\n0.364372 0.895488 0.430896 S\n0.364665 0.396772 0.431389 S\n0.864867 0.646349 0.555379 S\n0.864103 0.145424 0.555875 S\n0.369191 0.894893 0.179645 S\n0.369827 0.400935 0.177761 S\n0.865723 0.645680 0.305960 S\n0.862347 0.149755 0.305767 S\n0.370776 0.899400 0.928841 S\n0.373304 0.389105 0.928443 S\n0.873507 0.638957 0.055747 S\n0.879464 0.155324 0.050663 S\n0.867010 0.642018 0.801789 S\n0.862789 0.146764 0.806208 S\n",
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"formula_full": "Li24 Zn12 P16 S64",
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{
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"structure_string": "Dy1 S3 N3\n1.0\n0.000000 -4.187615 0.000000\n-5.277802 0.000000 2.303414\n-0.869082 0.000000 -6.872799\nDy S N\n1 3 3\ndirect\n0.000000 0.494008 0.350487 Dy\n0.500000 0.329979 0.552862 S\n0.500000 0.712781 0.680141 S\n0.500000 0.812418 0.411409 S\n0.000000 0.705562 0.072328 N\n0.000000 0.915066 0.091344 N\n0.000000 0.126487 0.108030 N\n",
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{
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"structure_string": "La2 Mg2 Cr2 Mo2 O12\n1.0\n5.416797 0.008445 0.016193\n0.008731 5.555840 -0.002107\n0.019378 -0.003130 7.933090\nLa Mg Cr Mo O\n2 2 2 2 12\ndirect\n0.003921 0.959675 0.751254 La\n0.503439 0.540477 0.250080 La\n0.486846 0.451809 0.757898 Mg\n0.983195 0.050009 0.257742 Mg\n0.999666 0.501864 0.999697 Cr\n0.499714 0.999135 0.498864 Cr\n0.499439 0.005298 0.000567 Mo\n0.999497 0.494174 0.500193 Mo\n0.087388 0.437460 0.242588 O\n0.589200 0.070727 0.742102 O\n0.216183 0.222650 0.939230 O\n0.718684 0.273467 0.432533 O\n0.207247 0.202814 0.550802 O\n0.710862 0.294220 0.048877 O\n0.316550 0.692987 0.942562 O\n0.814516 0.804376 0.441089 O\n0.316172 0.687442 0.567050 O\n0.815957 0.811436 0.065745 O\n0.363977 0.963673 0.255852 O\n0.867542 0.536309 0.755280 O\n",
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{
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{
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