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{
"id": "mp-1233669",
"created_at": "2022-09-04T14:48:28.147789Z",
"structure_string": "Mg1 Mn6 O5 F7\n1.0\n-4.947528 5.169305 2.922395\n-0.062510 5.272510 -3.155380\n-5.072855 0.033826 -3.182607\nMg Mn O F\n1 6 5 7\ndirect\n0.665885 0.812467 0.350874 Mg\n0.894178 0.681652 0.720360 Mn\n0.654745 0.325258 0.324639 Mn\n0.329430 0.691141 0.645890 Mn\n0.139919 0.280589 0.353704 Mn\n0.486261 0.056770 0.980986 Mn\n0.994370 0.028082 0.006886 Mn\n0.604116 0.520884 0.555165 O\n0.936099 0.215921 0.247217 O\n0.706822 0.106033 0.104498 O\n0.054623 0.841509 0.763846 O\n0.369570 0.953247 0.374380 O\n0.648065 0.974485 0.621182 F\n0.300318 0.409141 0.942058 F\n0.283302 0.925483 0.938730 F\n0.365075 0.426246 0.397753 F\n0.683510 0.677740 0.055261 F\n0.013646 0.323913 0.717510 F\n0.953400 0.676520 0.336559 F\n",
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{
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"nsites": 4,
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},
{
"id": "mp-1232422",
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"structure_string": "Yb3 Hf1\n1.0\n0.000000 3.975648 3.975648\n3.975648 0.000000 3.975648\n3.975648 3.975648 0.000000\nYb Hf\n3 1\ndirect\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Hf\n",
"nsites": 4,
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"density": 9.217391263378227,
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"formula_full": "Yb3 Hf1",
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"updated_at": "2021-11-28T01:39:22.351000Z",
"spacegroup": 225
},
{
"id": "mp-1027857",
"created_at": "2022-09-04T14:48:28.188686Z",
"structure_string": "Na1 Mg14 Zr1\n1.0\n6.474509 -0.032019 0.000000\n-3.264984 5.655118 0.000000\n0.000000 0.000000 10.245264\nNa Mg Zr\n1 14 1\ndirect\n0.169051 0.834525 0.125000 Na\n0.166340 0.333170 0.625000 Mg\n0.167026 0.833512 0.625000 Mg\n0.662077 0.326084 0.125000 Mg\n0.667197 0.333187 0.625000 Mg\n0.662077 0.835992 0.125000 Mg\n0.667197 0.834009 0.625000 Mg\n0.332410 0.171116 0.375681 Mg\n0.332410 0.171116 0.874319 Mg\n0.332410 0.661295 0.375681 Mg\n0.332410 0.661295 0.874319 Mg\n0.838176 0.169089 0.373516 Mg\n0.838176 0.169089 0.876484 Mg\n0.830586 0.665294 0.375533 Mg\n0.830586 0.665294 0.874467 Mg\n0.171870 0.335934 0.125000 Zr\n",
"nsites": 16,
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"elements": [
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"Zr"
],
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"density": 2.017611727252419,
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"formula_full": "Na1 Mg14 Zr1",
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"updated_at": "2021-11-28T01:39:25.617000Z",
"spacegroup": 38
},
{
"id": "mp-1208070",
"created_at": "2022-09-04T14:48:28.194580Z",
"structure_string": "U6 Tl2 F26\n1.0\n7.397726 0.000000 0.000000\n0.000000 8.057254 0.000000\n0.000000 0.000000 8.581309\nU Tl F\n6 2 26\ndirect\n0.102914 0.252212 0.620925 U\n0.897086 0.747788 0.120925 U\n0.897086 0.252212 0.120925 U\n0.102914 0.747788 0.620925 U\n0.390309 0.000000 0.957984 U\n0.609691 0.000000 0.457984 U\n0.601758 0.500000 0.762970 Tl\n0.398242 0.500000 0.262970 Tl\n0.387152 0.190615 0.504626 F\n0.612848 0.809385 0.004626 F\n0.612848 0.190615 0.004626 F\n0.387152 0.809385 0.504626 F\n0.099511 0.000000 0.500939 F\n0.900489 0.000000 0.000939 F\n0.047922 0.301750 0.366372 F\n0.952078 0.698250 0.866372 F\n0.952078 0.301750 0.866372 F\n0.047922 0.698250 0.366372 F\n0.270414 0.500000 0.590443 F\n0.729586 0.500000 0.090443 F\n0.061464 0.500000 0.112928 F\n0.938536 0.500000 0.612928 F\n0.191791 0.170326 0.095563 F\n0.808209 0.829674 0.595563 F\n0.808209 0.170326 0.595563 F\n0.191791 0.829674 0.095563 F\n0.139340 0.000000 0.781332 F\n0.860660 0.000000 0.281332 F\n0.533809 0.000000 0.729293 F\n0.466191 0.000000 0.229293 F\n0.318679 0.256386 0.815320 F\n0.681321 0.743614 0.315320 F\n0.681321 0.256386 0.315320 F\n0.318679 0.743614 0.815320 F\n",
"nsites": 34,
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"elements": [
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],
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"density_atomic": 0.06647220419583423,
"volume": 511.4919899426286,
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"formula_full": "U6 Tl2 F26",
"formula_reduced": "U3TlF13",
"formula_anonymous": "AB3C13",
"energy": -249.59941529,
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"updated_at": "2021-11-28T01:39:21.366000Z",
"spacegroup": 26
},
{
"id": "mp-1208341",
"created_at": "2022-09-04T14:48:28.165077Z",
"structure_string": "Tb2 Al6 B8 O24\n1.0\n4.694561 3.637415 0.000000\n-4.694561 3.637415 0.000000\n0.000000 2.551742 10.852965\nTb Al B O\n2 6 8 24\ndirect\n0.964024 0.035976 0.750000 Tb\n0.035976 0.964024 0.250000 Tb\n0.695505 0.194216 0.028231 Al\n0.304495 0.805784 0.971769 Al\n0.805784 0.304495 0.471769 Al\n0.194216 0.695505 0.528231 Al\n0.411465 0.588535 0.750000 Al\n0.588535 0.411465 0.250000 Al\n0.492831 0.119845 0.722372 B\n0.507169 0.880155 0.277628 B\n0.880155 0.507169 0.777628 B\n0.119845 0.492831 0.222372 B\n0.720500 0.777131 0.504181 B\n0.279500 0.222869 0.495819 B\n0.222869 0.279500 0.995819 B\n0.777131 0.720500 0.004181 B\n0.190671 0.997248 0.565553 O\n0.809329 0.002752 0.434447 O\n0.002752 0.809329 0.934447 O\n0.997248 0.190671 0.065553 O\n0.422225 0.894911 0.795122 O\n0.577775 0.105089 0.204878 O\n0.105089 0.577775 0.704878 O\n0.894911 0.422225 0.295122 O\n0.701595 0.178522 0.639597 O\n0.298405 0.821478 0.360403 O\n0.821478 0.298405 0.860403 O\n0.178522 0.701595 0.139597 O\n0.629968 0.869858 0.997051 O\n0.370032 0.130142 0.002949 O\n0.130142 0.370032 0.502949 O\n0.869858 0.629968 0.497051 O\n0.349809 0.266780 0.741233 O\n0.650191 0.733220 0.258767 O\n0.733220 0.650191 0.758767 O\n0.266780 0.349809 0.241233 O\n0.494212 0.698679 0.573277 O\n0.505788 0.301321 0.426723 O\n0.301321 0.505788 0.926723 O\n0.698679 0.494212 0.073277 O\n",
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],
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{
"id": "mp-1001069",
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"structure_string": "Li48 P16 S61\n1.0\n16.230346 0.000000 0.000000\n0.000000 12.488742 0.000000\n0.000000 0.035729 13.088290\nLi P S\n48 16 61\ndirect\n0.107297 0.194508 0.667585 Li\n0.105435 0.692632 0.668328 Li\n0.607229 0.195289 0.668162 Li\n0.605998 0.692959 0.665442 Li\n0.641362 0.305500 0.332799 Li\n0.652245 0.792551 0.329902 Li\n0.140425 0.306197 0.331654 Li\n0.151620 0.792450 0.329947 Li\n0.640852 0.444545 0.833106 Li\n0.641209 0.943217 0.831760 Li\n0.152843 0.458789 0.828357 Li\n0.140450 0.943459 0.831795 Li\n0.107747 0.054627 0.167497 Li\n0.105454 0.557581 0.168710 Li\n0.608780 0.056745 0.166550 Li\n0.608958 0.554314 0.169512 Li\n0.859575 0.306197 0.331654 Li\n0.848380 0.792450 0.329947 Li\n0.358638 0.305500 0.332799 Li\n0.347755 0.792551 0.329902 Li\n0.892703 0.194508 0.667585 Li\n0.894565 0.692632 0.668328 Li\n0.392771 0.195289 0.668162 Li\n0.394002 0.692959 0.665442 Li\n0.892253 0.054627 0.167497 Li\n0.894546 0.557581 0.168710 Li\n0.391220 0.056745 0.166550 Li\n0.391042 0.554314 0.169512 Li\n0.847157 0.458789 0.828357 Li\n0.859550 0.943459 0.831795 Li\n0.359148 0.444545 0.833106 Li\n0.358791 0.943217 0.831760 Li\n0.138042 0.232763 0.007057 Li\n0.123114 0.743611 0.000124 Li\n0.624547 0.251633 0.998710 Li\n0.625859 0.747874 0.001375 Li\n0.138560 0.018284 0.507406 Li\n0.122764 0.505423 0.499684 Li\n0.638441 0.018480 0.507681 Li\n0.623566 0.504503 0.499240 Li\n0.861958 0.232763 0.007057 Li\n0.876886 0.743611 0.000124 Li\n0.375453 0.251633 0.998710 Li\n0.374141 0.747874 0.001375 Li\n0.861440 0.018284 0.507406 Li\n0.877236 0.505423 0.499684 Li\n0.361559 0.018480 0.507681 Li\n0.376434 0.504503 0.499240 Li\n0.000000 0.078200 0.910490 P\n0.000000 0.562845 0.911046 P\n0.500000 0.076034 0.910367 P\n0.500000 0.576874 0.910485 P\n0.751544 0.424157 0.088849 P\n0.750737 0.923488 0.090331 P\n0.248456 0.424157 0.088849 P\n0.249263 0.923488 0.090331 P\n0.750542 0.326535 0.588765 P\n0.750009 0.824728 0.589264 P\n0.249458 0.326535 0.588765 P\n0.249991 0.824728 0.589264 P\n0.000000 0.171269 0.410335 P\n0.000000 0.687510 0.410805 P\n0.500000 0.171343 0.410357 P\n0.500000 0.687390 0.410839 P\n0.000000 0.915448 0.899797 S\n0.500000 0.413426 0.899426 S\n0.500000 0.913261 0.899894 S\n0.750607 0.087263 0.101673 S\n0.750518 0.586590 0.099564 S\n0.249393 0.087263 0.101673 S\n0.249482 0.586590 0.099564 S\n0.750283 0.161610 0.601630 S\n0.749736 0.662626 0.601151 S\n0.249717 0.161610 0.601630 S\n0.250264 0.662626 0.601151 S\n0.000000 0.333975 0.399271 S\n0.500000 0.334122 0.398738 S\n0.000000 0.138954 0.059500 S\n0.000000 0.636967 0.059490 S\n0.500000 0.136970 0.059392 S\n0.500000 0.635856 0.059913 S\n0.751269 0.363287 0.939086 S\n0.750177 0.863649 0.941822 S\n0.248731 0.363287 0.939086 S\n0.249823 0.863649 0.941822 S\n0.750705 0.386208 0.440324 S\n0.749893 0.886515 0.439178 S\n0.249295 0.386208 0.440324 S\n0.250107 0.886515 0.439178 S\n0.000000 0.110161 0.559572 S\n0.000000 0.613124 0.559437 S\n0.500000 0.110694 0.559749 S\n0.500000 0.612029 0.559270 S\n0.106647 0.137068 0.846192 S\n0.105429 0.636130 0.845182 S\n0.606816 0.134568 0.846304 S\n0.606793 0.635165 0.846251 S\n0.645282 0.363497 0.152708 S\n0.643763 0.865688 0.155416 S\n0.141259 0.364761 0.150654 S\n0.142991 0.864089 0.154786 S\n0.644084 0.383934 0.653435 S\n0.642882 0.885116 0.650874 S\n0.142849 0.383931 0.653903 S\n0.143195 0.885522 0.650646 S\n0.106596 0.112441 0.346075 S\n0.105546 0.614634 0.345348 S\n0.606548 0.112280 0.346233 S\n0.605455 0.614819 0.344936 S\n0.858741 0.364761 0.150654 S\n0.857009 0.864089 0.154786 S\n0.354718 0.363497 0.152708 S\n0.356237 0.865688 0.155416 S\n0.893353 0.137068 0.846192 S\n0.894571 0.636130 0.845182 S\n0.393184 0.134568 0.846304 S\n0.393207 0.635165 0.846251 S\n0.893404 0.112441 0.346075 S\n0.894454 0.614634 0.345348 S\n0.393452 0.112280 0.346233 S\n0.394545 0.614819 0.344936 S\n0.857151 0.383931 0.653903 S\n0.856805 0.885522 0.650646 S\n0.355916 0.383934 0.653435 S\n0.357118 0.885116 0.650874 S\n",
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{
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"structure_string": "Na2 Al2 Cr4 O20\n1.0\n2.715070 7.120586 0.000000\n-2.715070 7.120586 0.000000\n0.000000 3.807753 10.230110\nNa Al Cr O\n2 2 4 20\ndirect\n0.784352 0.215648 0.250000 Na\n0.215648 0.784352 0.750000 Na\n0.000000 0.500000 0.000000 Al\n0.500000 0.000000 0.500000 Al\n0.360305 0.839730 0.038582 Cr\n0.160270 0.639695 0.461418 Cr\n0.639695 0.160270 0.961418 Cr\n0.839730 0.360305 0.538582 Cr\n0.148962 0.177875 0.569838 O\n0.822125 0.851038 0.930162 O\n0.851038 0.822125 0.430162 O\n0.177875 0.148962 0.069838 O\n0.679295 0.602852 0.079104 O\n0.397148 0.320705 0.420896 O\n0.320705 0.397148 0.920896 O\n0.602852 0.679295 0.579104 O\n0.847932 0.374910 0.385289 O\n0.625090 0.152068 0.114711 O\n0.152068 0.625090 0.614711 O\n0.374910 0.847932 0.885289 O\n0.210517 0.755148 0.125960 O\n0.244852 0.789483 0.374040 O\n0.789483 0.244852 0.874040 O\n0.755148 0.210517 0.625960 O\n0.012352 0.547831 0.157486 O\n0.452169 0.987648 0.342514 O\n0.987648 0.452169 0.842514 O\n0.547831 0.012352 0.657486 O\n",
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