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{
"id": "jvasp-85662",
"created_at": "2022-09-04T14:35:44.594796Z",
"updated_at": "2022-09-04T14:35:44.594810Z",
"structure_string": "Re2 F14\n1.0\n2.762214 4.277620 -0.130916\n-2.722357 4.304924 0.275508\n-0.055720 -0.083073 9.191508\nRe F\n2 14\ndirect\n0.871263 0.857321 0.753335 Re\n0.128736 0.142680 0.246665 Re\n0.575677 0.164978 0.647726 F\n0.424322 0.835023 0.352274 F\n0.166859 0.564756 0.866543 F\n0.833140 0.435245 0.133457 F\n0.721991 0.058034 0.920610 F\n0.278008 0.941967 0.079390 F\n0.149860 0.790354 0.611703 F\n0.850138 0.209647 0.388297 F\n0.633442 0.694924 0.836511 F\n0.366557 0.305078 0.163489 F\n0.799802 0.632970 0.612550 F\n0.200196 0.367031 0.387450 F\n0.055329 0.108469 0.783072 F\n0.944669 0.891532 0.216928 F\n",
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{
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"structure_string": "Ba4 H12 Pt2\n1.0\n7.259677 3.006177 -0.000000\n-7.259677 3.006177 -0.000000\n0.000000 0.000000 6.012338\nBa H Pt\n4 12 2\ndirect\n0.141539 0.858462 0.500000 Ba\n0.641539 0.358462 0.000000 Ba\n0.858462 0.141539 0.500000 Ba\n0.358462 0.641539 0.000000 Ba\n0.801950 0.801950 0.801986 H\n0.198051 0.198051 0.198014 H\n0.698051 0.698051 0.301986 H\n0.301949 0.301949 0.698014 H\n0.115238 0.884763 0.000000 H\n0.615238 0.384763 0.500000 H\n0.384763 0.615238 0.500000 H\n0.499769 -0.000231 0.750000 H\n0.000232 0.500232 0.250000 H\n0.500232 0.000232 0.250000 H\n-0.000231 0.499769 0.750000 H\n0.884763 0.115238 0.000000 H\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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{
"id": "jvasp-85660",
"created_at": "2022-09-04T14:36:17.852200Z",
"updated_at": "2022-09-04T14:36:17.852228Z",
"structure_string": "K6 Mn2 H10\n1.0\n-3.745877 3.745877 5.781419\n3.745877 -3.745877 5.781419\n3.745877 3.745877 -5.781419\nK Mn H\n6 2 10\ndirect\n0.181641 0.681642 0.863282 K\n0.818359 0.318359 0.136719 K\n0.681641 0.818359 0.500000 K\n0.318359 0.181641 0.500000 K\n0.250000 0.250000 0.000000 K\n0.750000 0.750000 0.000000 K\n0.250000 0.750000 0.500000 Mn\n0.750000 0.250000 0.500000 Mn\n0.287077 0.526091 0.500000 H\n0.026090 0.787078 0.500000 H\n0.787078 0.287077 0.760988 H\n0.526091 0.026090 0.239013 H\n0.473910 0.973910 0.760988 H\n0.973910 0.212923 0.500000 H\n0.212923 0.712923 0.239013 H\n0.500000 0.500000 0.000000 H\n0.712923 0.473910 0.500000 H\n0.000000 0.000000 0.000000 H\n",
"nsites": 18,
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"formula_full": "K6 Mn2 H10",
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{
"id": "jvasp-8566",
"created_at": "2022-09-04T14:37:02.764570Z",
"updated_at": "2022-09-04T14:37:02.764591Z",
"structure_string": "Ag1 I1\n1.0\n3.744033 -0.000000 2.161618\n1.248011 3.529908 2.161618\n0.000000 -0.000000 4.323237\nAg I\n1 1\ndirect\n0.000000 0.000000 0.000000 Ag\n0.499999 0.500000 0.500001 I\n",
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"spacegroup": 225
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{
"id": "jvasp-85658",
"created_at": "2022-09-04T14:36:10.065601Z",
"updated_at": "2022-09-04T14:36:10.065628Z",
"structure_string": "K2 Si2 Pb2 O1\n1.0\n5.518207 -0.003523 0.000000\n-2.762154 4.784192 0.000000\n0.000000 0.000000 6.744893\nK Si Pb O\n2 2 2 1\ndirect\n0.666476 0.333238 0.500000 K\n0.333525 0.666762 0.500000 K\n0.000000 0.000000 0.764672 Si\n0.000000 0.000000 0.235327 Si\n0.666350 0.333176 0.000000 Pb\n0.333651 0.666825 0.000000 Pb\n0.000000 0.000000 0.500000 O\n",
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"formula_full": "K2 Si2 Pb2 O1",
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"formula_anonymous": "AB2C2D2",
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{
"id": "jvasp-85656",
"created_at": "2022-09-04T14:36:05.556186Z",
"updated_at": "2022-09-04T14:36:05.556211Z",
"structure_string": "U1 Ga6 Fe6\n1.0\n4.616511 0.000006 1.914701\n2.320385 6.023538 0.928472\n0.001142 -0.131046 6.520024\nU Ga Fe\n1 6 6\ndirect\n0.001029 0.000290 0.998070 U\n0.000945 0.654560 0.343987 Ga\n0.500934 0.813732 0.184837 Ga\n0.342318 0.659002 0.656833 Ga\n0.500914 0.187049 0.811518 Ga\n0.000888 0.346214 0.652335 Ga\n0.659782 0.341544 0.339366 Ga\n0.500926 0.500381 0.998179 Fe\n0.739336 0.761997 0.759795 Fe\n0.262580 0.238746 0.236545 Fe\n0.000949 0.000347 0.498216 Fe\n0.500911 0.000360 0.498212 Fe\n0.000941 0.500384 0.998167 Fe\n",
"nsites": 13,
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"elements": [
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"density_atomic": 0.07171492387826843,
"volume": 181.27328730163168,
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"formula_full": "U1 Ga6 Fe6",
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"formula_anonymous": "AB6C6",
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"spacegroup": 71
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{
"id": "jvasp-85647",
"created_at": "2022-09-04T14:35:59.703030Z",
"updated_at": "2022-09-04T14:35:59.703059Z",
"structure_string": "La1 H3 C3 O6\n1.0\n5.390933 3.112457 1.382353\n-5.390933 3.112457 1.382353\n0.000000 -6.224914 1.382353\nLa H C O\n1 3 3 6\ndirect\n0.004174 0.004174 0.004174 La\n0.865487 0.381268 0.381267 H\n0.381268 0.381268 0.865486 H\n0.381268 0.865487 0.381267 H\n0.156436 0.615769 0.615768 C\n0.615769 0.615769 0.156435 C\n0.615769 0.156436 0.615768 C\n0.289420 0.885710 0.885709 O\n0.885710 0.885710 0.289419 O\n0.885710 0.289420 0.885709 O\n0.336763 0.593108 0.593107 O\n0.593108 0.593108 0.336762 O\n0.593108 0.336763 0.593107 O\n",
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"volume": 139.167397009412,
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"formula_full": "La1 H3 C3 O6",
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"spacegroup": 160
},
{
"id": "jvasp-85646",
"created_at": "2022-09-04T14:35:56.181220Z",
"updated_at": "2022-09-04T14:35:56.181240Z",
"structure_string": "H8 S2 N4 O4\n1.0\n4.473350 8.366970 -0.000315\n0.000114 8.366810 2.249906\n4.473285 -0.000125 2.250698\nH S N O\n8 2 4 4\ndirect\n0.686200 0.707134 0.098262 H\n0.510196 0.099500 0.705875 H\n0.151930 0.741421 0.564048 H\n0.544352 0.565373 0.740070 H\n0.407946 0.879865 0.049442 H\n0.664531 0.050727 0.878576 H\n0.200777 0.587044 0.842274 H\n0.371644 0.843615 0.585690 H\n0.989586 0.011978 0.010602 S\n0.239629 0.261926 0.260629 S\n0.436158 0.919413 0.192307 N\n0.453918 0.193578 0.918117 N\n0.057906 0.797680 0.814069 N\n0.332094 0.815417 0.796316 N\n0.919793 0.515676 0.331635 O\n0.234809 0.332869 0.514293 O\n0.918615 0.016850 0.330403 O\n0.735884 0.331802 0.015459 O\n",
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{
"id": "jvasp-85643",
"created_at": "2022-09-04T14:35:51.808319Z",
"updated_at": "2022-09-04T14:35:51.808339Z",
"structure_string": "U4 Ga12 Fe1\n1.0\n6.985796 0.000026 -2.469746\n-3.492933 6.049969 -2.469899\n0.000098 -0.000033 7.409501\nU Ga Fe\n4 12 1\ndirect\n0.999996 0.000002 0.499994 U\n-0.000004 0.500019 0.999987 U\n0.500020 0.500007 0.500011 U\n0.499990 0.000001 -0.000002 U\n0.750012 0.499994 0.250004 Ga\n0.282957 0.282985 1.000000 Ga\n0.499990 0.249998 0.750001 Ga\n0.250024 0.750020 0.499996 Ga\n0.499996 0.750014 0.250022 Ga\n0.250009 0.500007 0.749985 Ga\n0.716991 0.717008 0.000013 Ga\n0.717050 0.000022 0.717057 Ga\n0.000007 0.717009 0.716994 Ga\n0.000008 0.282984 0.282961 Ga\n0.749989 0.249980 0.499986 Ga\n0.282982 0.000002 0.282995 Ga\n0.999997 0.999959 -0.000001 Fe\n",
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{
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"created_at": "2022-09-04T14:35:46.840984Z",
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"structure_string": "Ba1 Ge12 Pt4\n1.0\n7.197670 0.000000 -2.544760\n-3.598836 6.233365 -2.544760\n-0.000000 -0.000000 7.634282\nBa Ge Pt\n1 12 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.848363 0.492010 0.643647 Ge\n0.492009 0.643648 0.848363 Ge\n0.204716 0.356353 0.848363 Ge\n0.356353 0.848364 0.204716 Ge\n0.356353 0.151637 0.507991 Ge\n0.848363 0.204716 0.356353 Ge\n0.507991 0.356353 0.151637 Ge\n0.643647 0.151637 0.795284 Ge\n0.151637 0.507991 0.356353 Ge\n0.795284 0.643648 0.151637 Ge\n0.643647 0.848364 0.492009 Ge\n0.151637 0.795285 0.643647 Ge\n-0.000000 0.500000 0.000000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 -0.000000 0.000000 Pt\n",
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{
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"created_at": "2022-09-04T14:35:42.056969Z",
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"structure_string": "Nd3 In3 Pd3\n1.0\n7.783541 0.007700 -0.007834\n-3.898393 6.737003 -0.000604\n0.003989 0.002734 4.011829\nNd In Pd\n3 3 3\ndirect\n-0.076504 0.666668 0.555552 Nd\n0.333335 0.256830 0.555547 Nd\n0.743186 0.076487 0.555556 Nd\n0.587412 0.666662 0.055569 In\n0.079224 0.412553 0.055573 In\n0.333361 0.920795 0.055555 In\n0.000007 -0.000015 0.055544 Pd\n0.666683 0.333357 0.055547 Pd\n0.333296 0.666659 0.555564 Pd\n",
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{
"id": "jvasp-8564",
"created_at": "2022-09-04T14:36:52.628363Z",
"updated_at": "2022-09-04T14:36:52.628388Z",
"structure_string": "K1 I1\n1.0\n4.245209 0.000000 -0.000000\n0.000000 4.245209 0.000000\n-0.000000 0.000000 4.245209\nK I\n1 1\ndirect\n0.000000 0.000000 0.000000 K\n0.500000 0.500000 0.500000 I\n",
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}
]
}