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{
"id": "jvasp-66078",
"created_at": "2022-09-04T14:36:09.102471Z",
"updated_at": "2022-09-04T14:36:09.102498Z",
"structure_string": "Ba4 Ir1 Se1\n1.0\n0.000000 4.730124 4.730124\n4.730124 0.000000 4.730124\n4.730124 4.730124 0.000000\nBa Ir Se\n4 1 1\ndirect\n0.126278 0.624574 0.624574 Ba\n0.624574 0.624574 0.624574 Ba\n0.624574 0.126278 0.624574 Ba\n0.624574 0.624574 0.126278 Ba\n0.250000 0.250000 0.250000 Ir\n0.000000 0.000000 0.000000 Se\n",
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"structure_string": "Li5 Fe5 Cu2 O12\n1.0\n5.032818 -0.047152 0.331781\n-2.336519 4.457820 0.331781\n0.097385 0.159304 9.504516\nLi Fe Cu O\n5 5 2 12\ndirect\n0.834741 0.666468 0.258446 Li\n0.682140 0.858181 0.739216 Li\n0.333531 0.165259 0.741554 Li\n0.141818 0.317859 0.260785 Li\n0.081109 0.918889 0.500000 Li\n0.922410 0.077590 -0.000000 Fe\n-0.008004 0.515812 0.741220 Fe\n0.484187 0.008003 0.258780 Fe\n0.583217 0.416783 -0.000000 Fe\n0.419467 0.580531 0.500000 Fe\n0.252467 0.747533 -0.000000 Cu\n0.750661 0.249339 0.500000 Cu\n0.203615 0.043458 0.123953 O\n0.075013 0.249071 0.612336 O\n0.750928 0.924986 0.387665 O\n0.845176 0.326719 0.129686 O\n0.673281 0.154824 0.870314 O\n0.697952 0.539509 0.622844 O\n0.460490 0.302047 0.377156 O\n0.581097 0.744269 0.111049 O\n0.255730 0.418902 0.888951 O\n0.352095 0.829672 0.629529 O\n0.170327 0.647903 0.370471 O\n0.956541 0.796384 0.876048 O\n",
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{
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"created_at": "2022-09-04T14:37:07.218377Z",
"updated_at": "2022-09-04T14:37:07.218398Z",
"structure_string": "Mg4 Ti4 O10\n1.0\n0.000000 5.996049 -0.004224\n3.184573 0.000000 0.000000\n0.000000 -0.008249 -11.082633\nMg Ti O\n4 4 10\ndirect\n0.756976 0.500000 0.095712 Mg\n0.427199 0.500000 0.878160 Mg\n0.072754 0.500000 0.378153 Mg\n0.743037 0.500000 0.595723 Mg\n0.554135 0.000000 0.365673 Ti\n0.216282 0.000000 0.634107 Ti\n0.945851 0.000000 0.865679 Ti\n0.283740 0.000000 0.134114 Ti\n0.753627 0.500000 0.405103 O\n0.217049 0.000000 0.311939 O\n0.384534 0.500000 0.052278 O\n0.746340 0.500000 0.905089 O\n0.502951 0.000000 0.559618 O\n0.282921 0.000000 0.811941 O\n0.874335 0.000000 0.697425 O\n-0.002933 0.000000 0.059592 O\n0.625714 0.000000 0.197423 O\n0.115488 0.500000 0.552266 O\n",
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"formula_full": "Mg4 Ti4 O10",
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{
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"created_at": "2022-09-04T14:37:39.467933Z",
"updated_at": "2022-09-04T14:37:39.467956Z",
"structure_string": "Mg6 Tc2 H14\n1.0\n2.413178 -4.179747 0.000000\n2.413178 4.179747 -0.000000\n0.000000 0.000000 10.490303\nMg Tc H\n6 2 14\ndirect\n0.666668 0.333333 0.931741 Mg\n0.000000 0.000000 0.750000 Mg\n0.666668 0.333333 0.568259 Mg\n0.333333 0.666668 0.431741 Mg\n0.000000 0.000000 0.250000 Mg\n0.333333 0.666668 0.068259 Mg\n0.000000 0.000000 0.000000 Tc\n0.000000 0.000000 0.500000 Tc\n0.830841 0.661682 0.099483 H\n0.333333 0.666668 0.250000 H\n0.830841 0.661682 0.400517 H\n0.830841 0.169160 0.400517 H\n0.338319 0.169160 0.400517 H\n0.661682 0.830841 0.599483 H\n0.169160 0.338319 0.900517 H\n0.169160 0.338319 0.599483 H\n0.666668 0.333333 0.750000 H\n0.338319 0.169160 0.099483 H\n0.661682 0.830841 0.900517 H\n0.169160 0.830841 0.900517 H\n0.169160 0.830841 0.599483 H\n0.830841 0.169160 0.099483 H\n",
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{
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"created_at": "2022-09-04T14:35:52.226626Z",
"updated_at": "2022-09-04T14:35:52.226650Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.367137 0.000000 0.000000\n0.000000 5.367137 0.000000\n0.000000 0.000000 7.345576\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737873 0.737873 0.500000 N\n0.762128 0.237872 0.000000 N\n0.262128 0.262128 0.500000 N\n0.237872 0.762128 0.000000 N\n",
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"volume": 211.5978344392845,
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"formula_full": "Sr4 Li2 Co2 N4",
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{
"id": "jvasp-86795",
"created_at": "2022-09-04T14:36:06.662053Z",
"updated_at": "2022-09-04T14:36:06.662077Z",
"structure_string": "Sr4 Li2 Co2 N4\n1.0\n5.367150 0.000000 0.000000\n0.000000 5.367150 0.000000\n0.000000 0.000000 7.345524\nSr Li Co N\n4 2 2 4\ndirect\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Sr\n0.500000 0.000000 0.250000 Sr\n0.500000 0.000000 0.750000 Sr\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.737870 0.737870 0.500000 N\n0.762129 0.237870 0.000000 N\n0.262130 0.262130 0.500000 N\n0.237870 0.762129 0.000000 N\n",
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{
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"created_at": "2022-09-04T14:38:04.359961Z",
"updated_at": "2022-09-04T14:38:04.359988Z",
"structure_string": "Zn1 Bi4 O8\n1.0\n3.503546 -0.026217 -0.190215\n1.635342 6.870591 0.349383\n1.179116 2.562032 8.874157\nZn Bi O\n1 4 8\ndirect\n0.582821 0.808640 0.808876 Zn\n0.426383 0.731516 0.486020 Bi\n-0.010197 0.300094 0.854117 Bi\n0.084154 0.641218 0.120202 Bi\n0.723337 0.188803 0.479508 Bi\n0.168208 0.386697 0.327210 O\n0.509716 0.766729 0.201353 O\n0.546101 0.262377 0.720844 O\n0.903041 0.614872 0.697300 O\n0.855714 -0.061698 0.379160 O\n0.026906 0.878238 0.901994 O\n0.309996 0.970668 0.601444 O\n0.651424 0.521202 0.013183 O\n",
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{
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"structure_string": "Sr4 Mn2 S2 O6\n1.0\n3.953105 0.000000 0.000000\n0.000000 3.953105 0.000000\n0.000000 0.000000 13.539180\nSr Mn S O\n4 2 2 6\ndirect\n0.500001 0.000000 0.138175 Sr\n0.000000 0.500001 0.861825 Sr\n0.500001 0.000000 0.400362 Sr\n0.000000 0.500001 0.599638 Sr\n0.000000 0.500001 0.276707 Mn\n0.500001 0.000000 0.723293 Mn\n0.000000 0.500001 0.092652 S\n0.500001 0.000000 0.907348 S\n0.500001 0.500001 0.272593 O\n0.000000 0.000000 0.272593 O\n0.000000 0.000000 0.727407 O\n0.500001 0.500001 0.727407 O\n0.000000 0.500001 0.416378 O\n0.500001 0.000000 0.583622 O\n",
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{
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"structure_string": "Tm4 Ni4 As4\n1.0\n4.040324 0.000000 0.000000\n-2.020162 3.499024 0.000000\n0.000000 0.000000 14.965028\nTm Ni As\n4 4 4\ndirect\n0.000000 0.000000 0.250000 Tm\n0.000000 0.000000 0.750000 Tm\n0.000000 0.000000 0.000000 Tm\n0.000000 0.000000 0.500000 Tm\n0.333333 0.666666 0.136729 Ni\n0.666666 0.333333 0.863272 Ni\n0.666666 0.333333 0.636729 Ni\n0.333333 0.666666 0.363271 Ni\n0.333333 0.666666 0.619184 As\n0.666666 0.333333 0.380816 As\n0.666666 0.333333 0.119184 As\n0.333333 0.666666 0.880816 As\n",
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{
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"structure_string": "Yb5 Mg1\n1.0\n6.826016 -0.018221 1.821543\n5.789752 3.615744 1.821543\n0.046320 0.013209 8.548661\nYb Mg\n5 1\ndirect\n0.002732 0.002732 0.021909 Yb\n0.279839 0.279839 0.945484 Yb\n0.661066 0.661065 0.671753 Yb\n0.953220 0.953218 0.585758 Yb\n0.320263 0.320262 0.338210 Yb\n0.616213 0.616212 0.270215 Mg\n",
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{
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"created_at": "2022-09-04T14:36:18.165719Z",
"updated_at": "2022-09-04T14:36:18.165745Z",
"structure_string": "Li4 Mn2 B4 O12\n1.0\n0.000000 5.336632 0.052350\n7.698597 0.000000 0.000000\n0.000000 -2.720435 -5.176057\nLi Mn B O\n4 2 4 12\ndirect\n0.610801 0.435078 0.808287 Li\n0.389198 0.935079 0.691714 Li\n0.610801 0.064922 0.308287 Li\n0.389198 0.564922 0.191714 Li\n0.000000 0.000000 0.000000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.125991 0.258988 0.873566 B\n0.874007 0.758988 0.626435 B\n0.125992 0.241012 0.373566 B\n0.874008 0.741012 0.126435 B\n0.880960 0.263942 0.399055 O\n0.119039 0.763942 0.100945 O\n0.228530 0.082205 0.348049 O\n0.275383 0.395627 0.415438 O\n0.724616 0.604374 0.584563 O\n0.275383 0.104374 0.915438 O\n0.880960 0.236058 0.899056 O\n0.119039 0.736059 0.600945 O\n0.228530 0.417795 0.848050 O\n0.771469 0.582206 0.151951 O\n0.771469 0.917795 0.651951 O\n0.724616 0.895627 0.084563 O\n",
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]
}