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{
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{
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{
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{
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{
"id": "mp-778878",
"created_at": "2022-09-04T14:42:12.024716Z",
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{
"id": "mp-647275",
"created_at": "2022-09-04T14:41:01.179399Z",
"structure_string": "Ba39 Li80 N9\n1.0\n14.420224 0.000000 -6.427724\n-2.865118 14.132726 -6.427724\n0.002777 0.003396 19.395554\nBa Li N\n39 80 9\ndirect\n1.000000 0.821133 1.000000 Ba\n0.073841 0.746584 0.499224 Ba\n0.824318 0.365299 0.910159 Ba\n0.926159 0.247360 0.500776 Ba\n0.086747 0.086747 0.173494 Ba\n0.247360 0.926159 0.500776 Ba\n0.634701 0.914160 0.089841 Ba\n0.906336 0.696565 0.602902 Ba\n0.223829 0.404802 0.628631 Ba\n0.303435 0.303435 0.397098 Ba\n0.365299 0.824318 0.910159 Ba\n0.425383 0.752640 0.499224 Ba\n0.175682 0.455140 0.089841 Ba\n0.558639 0.322551 0.881191 Ba\n0.339724 0.839724 0.679447 Ba\n0.696565 0.906336 0.602902 Ba\n0.160276 0.660276 0.320553 Ba\n0.093664 0.093664 0.397098 Ba\n0.839724 0.339724 0.679447 Ba\n0.322551 0.558639 0.881191 Ba\n0.776171 0.776171 0.371369 Ba\n0.544860 0.085840 0.910159 Ba\n0.085840 0.544860 0.910159 Ba\n0.574617 0.253416 0.500776 Ba\n0.746584 0.073841 0.499224 Ba\n0.000000 0.178867 0.000000 Ba\n0.178867 0.000000 0.000000 Ba\n0.677449 0.677449 0.118809 Ba\n0.914160 0.634701 0.089841 Ba\n0.441361 0.441361 0.118809 Ba\n0.821133 1.000000 1.000000 Ba\n0.660276 0.160276 0.320553 Ba\n0.253416 0.574617 0.500776 Ba\n0.404802 0.223829 0.628631 Ba\n0.752640 0.425383 0.499224 Ba\n0.455140 0.175682 0.089841 Ba\n0.500000 0.500000 0.000000 Ba\n0.913253 0.913253 0.826506 Ba\n0.595198 0.595198 0.371369 Ba\n0.508722 0.508722 0.499983 Li\n0.463986 0.463986 0.622995 Li\n0.877154 0.624125 0.750560 Li\n0.575075 0.806179 0.851399 Li\n0.754567 0.459895 0.081319 Li\n0.315755 0.055825 0.371580 Li\n0.006039 0.474955 0.335434 Li\n0.624125 0.877154 0.750560 Li\n0.474955 0.006039 0.335434 Li\n0.459895 0.754567 0.081319 Li\n0.903547 0.903547 0.174375 Li\n0.332028 0.097824 0.731527 Li\n0.832076 0.974749 0.316828 Li\n0.954779 0.424925 0.148601 Li\n0.045221 0.276324 0.851399 Li\n0.528335 0.688154 0.216489 Li\n0.873405 0.126435 0.750560 Li\n0.723676 0.193821 0.148601 Li\n0.974749 0.832076 0.316828 Li\n0.097824 0.332028 0.731527 Li\n0.025251 0.515248 0.683172 Li\n0.399499 0.633703 0.731527 Li\n0.806179 0.575075 0.851399 Li\n0.139521 0.993961 0.664566 Li\n0.840991 0.536014 0.377005 Li\n0.536014 0.840991 0.377005 Li\n0.167924 0.657921 0.683172 Li\n0.248257 0.785600 0.033857 Li\n0.670605 0.525045 0.664566 Li\n0.366297 0.667972 0.268473 Li\n0.991261 0.991261 0.499983 Li\n0.375875 0.126595 0.249440 Li\n0.932935 0.259284 0.192218 Li\n0.751743 0.751743 0.966143 Li\n0.245433 0.378576 0.918681 Li\n0.329395 0.860479 0.335434 Li\n0.122846 0.873565 0.249440 Li\n0.688154 0.528335 0.216489 Li\n0.491278 0.008739 0.500017 Li\n0.785600 0.248257 0.033857 Li\n0.673248 0.540105 0.918681 Li\n0.126435 0.873405 0.750560 Li\n0.860479 0.329395 0.335434 Li\n0.484752 0.342079 0.316828 Li\n0.657921 0.167924 0.683172 Li\n0.729173 0.096453 0.825625 Li\n0.902176 0.600501 0.268473 Li\n0.259284 0.932935 0.192218 Li\n0.604353 0.604353 0.791110 Li\n0.740716 0.740716 0.807782 Li\n0.193821 0.723676 0.148601 Li\n0.525045 0.670605 0.664566 Li\n0.008739 0.491278 0.500017 Li\n0.067065 0.067065 0.807782 Li\n0.813243 0.395647 0.208890 Li\n0.378576 0.245433 0.918681 Li\n0.944175 0.944175 0.628420 Li\n0.311846 0.311846 0.783511 Li\n0.395647 0.813243 0.208890 Li\n0.993961 0.139521 0.664566 Li\n0.621424 0.326752 0.081319 Li\n0.540105 0.673248 0.918681 Li\n0.276324 0.045221 0.851399 Li\n0.326752 0.621424 0.081319 Li\n0.600501 0.902176 0.268473 Li\n0.515248 0.025251 0.683172 Li\n0.342079 0.484752 0.316828 Li\n0.186757 0.186757 0.791110 Li\n0.471665 0.471665 0.783511 Li\n0.633703 0.399499 0.731527 Li\n0.270827 0.270827 0.174375 Li\n0.214400 0.214400 0.966143 Li\n0.684245 0.684245 0.628420 Li\n0.096453 0.729173 0.825625 Li\n0.667972 0.366297 0.268473 Li\n0.873565 0.122846 0.249440 Li\n0.424925 0.954779 0.148601 Li\n0.159009 0.159009 0.622995 Li\n0.055825 0.315755 0.371580 Li\n0.126595 0.375875 0.249440 Li\n0.500000 0.312857 1.000000 N\n0.591528 0.591528 0.183056 N\n0.312857 0.500000 1.000000 N\n0.687143 0.500000 0.000000 N\n0.250000 0.750000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.687143 0.000000 N\n0.750000 0.250000 0.500000 N\n0.408472 0.408472 0.816944 N\n",
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"structure_string": "Ba16 Li8 N8\n1.0\n8.268627 0.000000 0.000000\n0.000000 8.268627 0.000000\n0.000000 0.000000 15.501686\nBa Li N\n16 8 8\ndirect\n0.000000 0.772571 0.410065 Ba\n0.000000 0.227429 0.410065 Ba\n0.780411 0.500000 0.605400 Ba\n0.772571 0.000000 0.589935 Ba\n0.500000 0.727429 0.089935 Ba\n0.272571 0.500000 0.910065 Ba\n0.000000 0.719589 0.105400 Ba\n0.500000 0.272571 0.089935 Ba\n0.280411 0.000000 0.894600 Ba\n0.219589 0.500000 0.605400 Ba\n0.000000 0.280411 0.105400 Ba\n0.500000 0.219589 0.394600 Ba\n0.227429 0.000000 0.589935 Ba\n0.719589 0.000000 0.894600 Ba\n0.727429 0.500000 0.910065 Ba\n0.500000 0.780411 0.394600 Ba\n0.743565 0.500000 0.218846 Li\n0.500000 0.256435 0.781154 Li\n0.000000 0.243565 0.718846 Li\n0.500000 0.743565 0.781154 Li\n0.756435 0.000000 0.281154 Li\n0.243565 0.000000 0.281154 Li\n0.000000 0.756435 0.718846 Li\n0.256435 0.500000 0.218846 Li\n0.256755 0.000000 0.411243 N\n0.000000 0.256755 0.588757 N\n0.743245 0.000000 0.411243 N\n0.500000 0.243245 0.911243 N\n0.243245 0.500000 0.088757 N\n0.500000 0.756755 0.911243 N\n0.000000 0.743245 0.588757 N\n0.756755 0.500000 0.088757 N\n",
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"elements": [
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"density_atomic": 0.030192859094735576,
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"volume_molar": 19.945579652143707,
"formula_full": "Ba16 Li8 N8",
"formula_reduced": "Ba2LiN",
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"updated_at": "2021-11-28T01:36:23.023000Z",
"spacegroup": 137
},
{
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"created_at": "2022-09-04T14:47:04.387339Z",
"structure_string": "Ba1 Li1 Mg14\n1.0\n6.673026 0.000000 -0.000000\n-3.336513 5.779009 0.000000\n0.000000 0.000000 10.459431\nBa Li Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Ba\n0.166667 0.333333 0.125000 Li\n0.164876 0.832437 0.125000 Mg\n0.177452 0.838726 0.625000 Mg\n0.667563 0.335124 0.125000 Mg\n0.661274 0.322548 0.625000 Mg\n0.667563 0.832437 0.125000 Mg\n0.661274 0.838726 0.625000 Mg\n0.337823 0.162177 0.362735 Mg\n0.337823 0.162177 0.887265 Mg\n0.337823 0.675648 0.362735 Mg\n0.337823 0.675648 0.887265 Mg\n0.824352 0.162177 0.362735 Mg\n0.824352 0.162177 0.887265 Mg\n0.833333 0.666667 0.379336 Mg\n0.833333 0.666667 0.870664 Mg\n",
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"elements": [
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],
"chemical_system": "Ba-Li-Mg",
"density": 1.9947693783484695,
"density_atomic": 0.03966758267645812,
"volume": 403.3520300569176,
"volume_molar": 15.18151688021568,
"formula_full": "Ba1 Li1 Mg14",
"formula_reduced": "BaLiMg14",
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"total_magnetization": 4.67e-05,
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"updated_at": "2021-11-28T01:37:52.268000Z",
"spacegroup": 187
},
{
"id": "mp-1096727",
"created_at": "2022-09-04T14:40:26.280361Z",
"structure_string": "Ba2 Li1 Mg1\n1.0\n-6.975387 7.610045 9.866200\n6.975387 -7.610045 9.866200\n6.975387 7.610045 -9.866200\nBa Li Mg\n2 1 1\ndirect\n0.749958 0.000000 0.749958 Ba\n0.250042 0.000000 0.250042 Ba\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Mg\n",
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],
"chemical_system": "Ba-Li-Mg",
"density": 0.24247286038432367,
"density_atomic": 0.00190938959950159,
"volume": 2094.910332099915,
"volume_molar": 315.39612248710085,
"formula_full": "Ba2 Li1 Mg1",
"formula_reduced": "Ba2LiMg",
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"updated_at": "2021-11-28T01:35:05.849000Z",
"spacegroup": 71
}
]
}