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{
"id": "jvasp-46186",
"created_at": "2022-09-04T14:38:09.225910Z",
"updated_at": "2022-09-04T14:38:09.225947Z",
"structure_string": "Lu2 W2 O8\n1.0\n0.000000 5.157260 0.000000\n2.578629 -2.578630 5.396937\n5.157260 -0.000000 0.000000\nLu W O\n2 2 8\ndirect\n0.875000 0.250000 0.375000 Lu\n0.125000 0.750000 0.625000 Lu\n0.625000 0.750000 0.125000 W\n0.375000 0.250000 0.875000 W\n0.473834 0.079618 0.219873 O\n0.799493 0.579618 0.026166 O\n0.280127 0.579618 0.394216 O\n0.894217 0.920382 0.299492 O\n0.105784 0.079618 0.700508 O\n0.719874 0.420382 0.605783 O\n0.200508 0.420382 0.973833 O\n0.526167 0.920382 0.780127 O\n",
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{
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"structure_string": "Ba2 H4 O6\n1.0\n3.925323 0.000153 -0.000479\n-0.000025 5.848912 0.007284\n0.000808 -0.002321 6.332892\nBa H O\n2 4 6\ndirect\n0.000018 0.694143 0.183686 Ba\n0.000045 0.305758 0.683992 Ba\n0.789715 0.190759 0.214706 H\n0.210270 0.190761 0.214709 H\n0.210247 0.809164 0.714046 H\n0.789672 0.809170 0.714026 H\n-0.000003 0.185879 0.117199 O\n-0.000028 0.814005 0.616558 O\n0.500013 0.202684 0.386294 O\n0.499978 -0.202503 0.885733 O\n0.500039 0.458367 0.427473 O\n0.500028 0.541809 0.927371 O\n",
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"spacegroup": 26
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{
"id": "jvasp-12757",
"created_at": "2022-09-04T14:38:09.334959Z",
"updated_at": "2022-09-04T14:38:09.334973Z",
"structure_string": "Na2 I2 O8\n1.0\n4.935345 0.000001 -2.013004\n-0.821055 4.866569 -2.013003\n-0.009618 -0.011378 7.032990\nNa I O\n2 2 8\ndirect\n0.625000 0.875000 0.250001 Na\n0.374999 0.125000 0.750000 Na\n0.125000 0.375000 0.250000 I\n0.874999 0.625000 0.750001 I\n0.804285 0.448197 0.086130 O\n0.637932 0.304285 0.586130 O\n0.948197 0.781845 0.586130 O\n0.281845 0.137933 0.086130 O\n0.718155 0.862067 0.913871 O\n0.051803 0.218155 0.413871 O\n0.362067 0.695714 0.413871 O\n0.195715 0.551802 0.913871 O\n",
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"volume": 168.6936786899014,
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"formula_full": "Na2 I2 O8",
"formula_reduced": "NaIO4",
"formula_anonymous": "ABC4",
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"spacegroup": 88
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{
"id": "jvasp-12552",
"created_at": "2022-09-04T14:38:09.491868Z",
"updated_at": "2022-09-04T14:38:09.491891Z",
"structure_string": "H8 Br2 N2\n1.0\n5.703863 0.000000 0.000000\n0.000000 5.703863 0.000000\n0.000000 -0.000000 4.063732\nH Br N\n8 2 2\ndirect\n0.850113 0.000000 0.851906 H\n0.149886 0.000000 0.851906 H\n0.500000 0.350113 0.851906 H\n0.500000 0.649886 0.851906 H\n0.000000 0.149886 0.148093 H\n0.649886 0.500000 0.148093 H\n0.350113 0.500000 0.148093 H\n0.000000 0.850113 0.148093 H\n0.500000 0.000000 0.534375 Br\n0.000000 0.500000 0.465624 Br\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.000000 N\n",
"nsites": 12,
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"elements": [
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"volume": 132.2096727646963,
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"formula_full": "H8 Br2 N2",
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"formula_anonymous": "ABC4",
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{
"id": "jvasp-9923",
"created_at": "2022-09-04T14:38:09.515742Z",
"updated_at": "2022-09-04T14:38:09.515759Z",
"structure_string": "Sn4 O8\n1.0\n3.208733 0.000000 -0.000000\n-1.604367 4.986544 -0.000000\n-0.000000 0.000000 10.402395\nSn O\n4 8\ndirect\n0.863000 0.726004 0.081646 Sn\n0.136998 0.273995 0.918354 Sn\n0.863000 0.726004 0.418354 Sn\n0.136998 0.273995 0.581645 Sn\n0.232745 0.465490 0.397138 O\n0.767253 0.534510 0.602862 O\n0.767253 0.534510 0.897137 O\n0.232745 0.465490 0.102862 O\n0.953664 0.907332 0.250000 O\n0.046334 0.092668 0.750000 O\n0.500000 -0.000000 0.000000 O\n0.500000 -0.000000 0.500000 O\n",
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"elements": [
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"volume": 166.44339937247238,
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"formula_full": "Sn4 O8",
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"spacegroup": 63
},
{
"id": "jvasp-9380",
"created_at": "2022-09-04T14:38:11.055719Z",
"updated_at": "2022-09-04T14:38:11.055749Z",
"structure_string": "K4 Ag4 O4\n1.0\n5.078341 0.000000 1.974739\n2.539170 6.975382 0.987370\n0.011159 0.000000 7.488531\nK Ag O\n4 4 4\ndirect\n0.500000 0.320439 0.679561 K\n0.500000 0.679561 0.320439 K\n0.179561 0.320439 0.320439 K\n0.820439 0.679561 0.679561 K\n0.850188 0.000000 0.299625 Ag\n0.850188 0.299625 0.000000 Ag\n0.149812 0.000000 0.700375 Ag\n0.149812 0.700375 0.000000 Ag\n0.704391 0.295609 0.295609 O\n0.000000 0.295609 0.704390 O\n0.000000 0.704390 0.295609 O\n0.295609 0.704390 0.704391 O\n",
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"elements": [
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"density": 4.08292183438724,
"density_atomic": 0.04526332810837316,
"volume": 265.11528209478143,
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"formula_full": "K4 Ag4 O4",
"formula_reduced": "KAgO",
"formula_anonymous": "ABC",
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"spacegroup": 139
},
{
"id": "jvasp-46292",
"created_at": "2022-09-04T14:38:11.876647Z",
"updated_at": "2022-09-04T14:38:11.876677Z",
"structure_string": "Li2 Mn2 B2 O6\n1.0\n5.161043 -0.003019 -0.028621\n-2.539287 4.535444 0.015874\n-2.391102 -1.364656 5.267420\nLi Mn B O\n2 2 2 6\ndirect\n0.445351 0.376928 0.680356 Li\n0.554647 0.623070 0.319644 Li\n0.160716 0.747990 0.763994 Mn\n0.839282 0.252008 0.236006 Mn\n0.813763 0.075102 0.739883 B\n0.186235 0.924896 0.260116 B\n0.047997 0.311501 0.686783 O\n0.620447 0.127054 0.821647 O\n0.759997 0.787578 0.702415 O\n0.240001 0.212420 0.297584 O\n0.379551 0.872944 0.178353 O\n0.952001 0.688497 0.313216 O\n",
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"density_atomic": 0.09759291659725769,
"volume": 122.95974357976299,
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"formula_full": "Li2 Mn2 B2 O6",
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"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-51673",
"created_at": "2022-09-04T14:38:11.115971Z",
"updated_at": "2022-09-04T14:38:11.115997Z",
"structure_string": "Sr2 H4 O6\n1.0\n0.000000 5.315771 -0.001013\n3.728914 0.000000 0.000000\n0.000000 -0.001279 -6.978332\nSr H O\n2 4 6\ndirect\n0.461261 0.000000 0.320706 Sr\n0.538739 0.000000 0.820708 Sr\n0.978023 0.213215 0.126726 H\n0.978023 0.786784 0.126726 H\n0.021980 0.786780 0.626731 H\n0.021980 0.213218 0.626731 H\n0.862654 0.000000 0.101969 O\n0.137350 0.000000 0.601975 O\n0.186220 0.499999 0.197560 O\n0.813775 0.499999 0.697553 O\n0.590662 0.499999 0.562609 O\n0.409326 0.499999 0.062609 O\n",
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"formula_full": "Sr2 H4 O6",
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"formula_anonymous": "AB2C3",
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"spacegroup": 26
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{
"id": "jvasp-35157",
"created_at": "2022-09-04T14:38:11.204400Z",
"updated_at": "2022-09-04T14:38:11.204433Z",
"structure_string": "K8 N3 O1\n1.0\n6.622879 0.000000 0.000000\n-0.000000 6.622879 -0.000000\n0.000000 0.000000 6.622879\nK N O\n8 3 1\ndirect\n0.255710 0.744291 0.255710 K\n0.744291 0.255710 0.255710 K\n0.744291 0.744291 0.744291 K\n0.255710 0.255710 0.744291 K\n0.255710 0.744291 0.744291 K\n0.744291 0.255710 0.744291 K\n0.744291 0.744291 0.255710 K\n0.255710 0.255710 0.255710 K\n0.000000 0.500000 0.000000 N\n0.500000 0.000000 0.000000 N\n0.000000 0.000000 0.500000 N\n0.500000 0.500000 0.500000 O\n",
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"formula_full": "K8 N3 O1",
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"spacegroup": 221
},
{
"id": "jvasp-51714",
"created_at": "2022-09-04T14:38:11.329830Z",
"updated_at": "2022-09-04T14:38:11.329859Z",
"structure_string": "Sr2 Mg2 H8\n1.0\n1.978888 6.755274 0.000000\n-1.978888 6.755274 0.000000\n0.000000 0.000000 5.572105\nSr Mg H\n2 2 8\ndirect\n0.848764 0.848764 0.753276 Sr\n0.151235 0.151235 0.253275 Sr\n0.585079 0.585079 0.709302 Mg\n0.414921 0.414921 0.209302 Mg\n0.666685 0.666685 0.985442 H\n0.333315 0.333315 0.485442 H\n0.700739 0.700739 0.506163 H\n0.299261 0.299261 0.006162 H\n0.924846 0.924846 0.179975 H\n0.075154 0.075154 0.679976 H\n0.461628 0.461628 0.866845 H\n0.538371 0.538371 0.366845 H\n",
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"spacegroup": 36
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{
"id": "jvasp-98185",
"created_at": "2022-09-04T14:38:11.167609Z",
"updated_at": "2022-09-04T14:38:11.167633Z",
"structure_string": "Er4 Mn8\n1.0\n5.028263 -0.000000 0.000000\n-2.514131 4.354603 -0.000000\n0.000000 -0.000000 8.280937\nEr Mn\n4 8\ndirect\n0.333333 0.666666 0.437095 Er\n0.666666 0.333333 0.937095 Er\n0.666666 0.333333 0.562906 Er\n0.333333 0.666666 0.062906 Er\n0.169083 0.338167 0.750000 Mn\n0.830916 0.169083 0.250000 Mn\n0.338167 0.169083 0.250000 Mn\n0.661833 0.830916 0.750000 Mn\n0.000000 0.000000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.830916 0.661833 0.250000 Mn\n0.169083 0.830916 0.750000 Mn\n",
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{
"id": "jvasp-38894",
"created_at": "2022-09-04T14:38:11.274648Z",
"updated_at": "2022-09-04T14:38:11.274675Z",
"structure_string": "Lu4 Ni4 Sn4\n1.0\n4.414918 -0.000000 0.000000\n0.000000 6.943321 0.000000\n0.000000 0.000000 7.602927\nLu Ni Sn\n4 4 4\ndirect\n0.250000 0.487368 0.201118 Lu\n0.250000 0.987368 0.298882 Lu\n0.750000 0.012632 0.701118 Lu\n0.750000 0.512632 0.798882 Lu\n0.750000 0.792223 0.085151 Ni\n0.750000 0.292223 0.414849 Ni\n0.250000 0.707776 0.585151 Ni\n0.250000 0.207776 0.914849 Ni\n0.750000 0.190059 0.086756 Sn\n0.750000 0.690059 0.413244 Sn\n0.250000 0.309941 0.586756 Sn\n0.250000 0.809940 0.913245 Sn\n",
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}
]
}