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{
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"results": [
{
"id": "jvasp-111315",
"created_at": "2022-09-04T14:38:47.987993Z",
"updated_at": "2022-09-04T14:38:47.988004Z",
"structure_string": "Ba2 Lu1 U1 O6\n1.0\n5.316068 0.000000 3.069233\n1.772023 5.012037 3.069233\n-0.000000 -0.000000 6.138467\nBa Lu U O\n2 1 1 6\ndirect\n0.750000 0.750000 0.749999 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Lu\n0.000000 0.000000 0.000000 U\n0.751989 0.751990 0.248010 O\n0.248011 0.248011 0.751989 O\n0.751989 0.248011 0.751989 O\n0.248010 0.751990 0.248010 O\n0.248010 0.751990 0.751989 O\n0.751989 0.248011 0.248010 O\n",
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{
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"nsites": 28,
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],
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"volume": 782.411492865419,
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"formula_full": "Ba4 Lu8 Se16",
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"formula_anonymous": "AB2C4",
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"spacegroup": 62
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{
"id": "jvasp-20248",
"created_at": "2022-09-04T14:37:44.784550Z",
"updated_at": "2022-09-04T14:37:44.784580Z",
"structure_string": "Ba4 Mg8\n1.0\n3.321968 -5.753818 0.000000\n3.321968 5.753818 0.000000\n-0.000000 -0.000000 10.508507\nBa Mg\n4 8\ndirect\n0.333333 0.666667 0.556619 Ba\n0.666667 0.333333 0.056619 Ba\n0.666667 0.333333 0.443381 Ba\n0.333333 0.666667 0.943381 Ba\n0.161847 0.838153 0.250000 Mg\n0.838154 0.676307 0.750000 Mg\n0.323694 0.161847 0.750000 Mg\n0.676307 0.838154 0.250000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.838153 0.161847 0.750000 Mg\n0.161847 0.323694 0.250000 Mg\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Ba-Mg",
"density": 3.0743430720323404,
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"volume": 401.7191903339488,
"volume_molar": 20.160079251535592,
"formula_full": "Ba4 Mg8",
"formula_reduced": "BaMg2",
"formula_anonymous": "AB2",
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"spacegroup": 194
},
{
"id": "jvasp-91900",
"created_at": "2022-09-04T14:35:50.304215Z",
"updated_at": "2022-09-04T14:35:50.304229Z",
"structure_string": "Ba1 Mg7\n1.0\n7.017651 -0.000000 -0.000000\n-3.508825 6.077463 -0.000000\n-0.000000 0.000000 5.252769\nBa Mg\n1 7\ndirect\n0.166667 0.333333 0.250000 Ba\n0.181680 0.840840 0.250000 Mg\n0.659160 0.318319 0.250000 Mg\n0.659159 0.840840 0.250000 Mg\n0.349816 0.150184 0.750000 Mg\n0.349816 0.699633 0.750000 Mg\n0.800366 0.150184 0.750000 Mg\n0.833332 0.666667 0.750000 Mg\n",
"nsites": 8,
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"volume": 224.0280465770133,
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"formula_full": "Ba1 Mg7",
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"spacegroup": 187
},
{
"id": "jvasp-20201",
"created_at": "2022-09-04T14:38:31.446722Z",
"updated_at": "2022-09-04T14:38:31.446749Z",
"structure_string": "Ba2 Mg17\n1.0\n7.961504 0.003341 1.000153\n0.882785 7.912411 1.000153\n0.003733 0.003341 8.024079\nBa Mg\n2 17\ndirect\n0.337464 0.337464 0.337464 Ba\n0.662536 0.662535 0.662535 Ba\n0.845661 0.346995 0.346994 Mg\n0.154339 0.653005 0.653005 Mg\n0.653005 0.653005 0.154338 Mg\n0.653005 0.154339 0.653005 Mg\n0.292829 -0.000000 0.707170 Mg\n0.000000 0.707170 0.292829 Mg\n0.707170 0.292830 -0.000000 Mg\n0.346995 0.346995 0.845661 Mg\n0.292830 0.707170 -0.000000 Mg\n0.000000 0.500000 -0.000000 Mg\n0.500000 -0.000000 -0.000000 Mg\n-0.000000 -0.000000 0.500000 Mg\n0.901917 0.901917 0.901916 Mg\n0.098083 0.098083 0.098083 Mg\n0.346995 0.845661 0.346994 Mg\n-0.000000 0.292830 0.707170 Mg\n0.707170 -0.000000 0.292830 Mg\n",
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"formula_full": "Ba2 Mg17",
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"formula_anonymous": "A2B17",
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"spacegroup": 166
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{
"id": "jvasp-79161",
"created_at": "2022-09-04T14:37:51.025384Z",
"updated_at": "2022-09-04T14:37:51.025409Z",
"structure_string": "Ba1 Mg3\n1.0\n7.792357 0.380249 0.000000\n-1.783436 3.089003 0.000000\n0.000000 0.000000 5.221300\nBa Mg\n1 3\ndirect\n0.153760 0.653760 0.250000 Ba\n0.655809 0.655808 0.250000 Mg\n0.409839 0.409839 0.750000 Mg\n0.780591 0.280591 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 2.7016956088089135,
"density_atomic": 0.03095478782078507,
"volume": 129.22072098049202,
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"formula_full": "Ba1 Mg3",
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"formula_anonymous": "AB3",
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"spacegroup": 25
},
{
"id": "jvasp-99532",
"created_at": "2022-09-04T14:36:20.740184Z",
"updated_at": "2022-09-04T14:36:20.740210Z",
"structure_string": "Ba2 Mg2\n1.0\n4.338888 -0.000000 0.000000\n0.000000 6.131779 0.000000\n-0.000000 0.000000 6.131556\nBa Mg\n2 2\ndirect\n-0.000000 0.249941 0.250000 Ba\n-0.000000 0.750059 0.750001 Ba\n0.500000 0.250112 0.750001 Mg\n0.500000 0.749888 0.250000 Mg\n",
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"elements": [
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"spacegroup": 221
},
{
"id": "jvasp-65565",
"created_at": "2022-09-04T14:35:49.140472Z",
"updated_at": "2022-09-04T14:35:49.140498Z",
"structure_string": "Ba2 Mg1 Mn1\n1.0\n-0.000000 4.192380 4.192380\n4.192380 -0.000000 4.192380\n4.192380 4.192380 -0.000000\nBa Mg Mn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
"nsites": 4,
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],
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"density": 3.987623224032191,
"density_atomic": 0.027142389234999807,
"volume": 147.37096153797856,
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"formula_full": "Ba2 Mg1 Mn1",
"formula_reduced": "Ba2MgMn",
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},
{
"id": "jvasp-65410",
"created_at": "2022-09-04T14:35:48.730715Z",
"updated_at": "2022-09-04T14:35:48.730727Z",
"structure_string": "Ba1 Mg2 Mn1\n1.0\n3.495605 0.000000 -0.000000\n-0.000000 3.495605 0.000000\n-0.000000 0.000000 8.611790\nBa Mg Mn\n1 2 1\ndirect\n0.500001 0.500001 0.000000 Ba\n0.000000 0.000000 0.324959 Mg\n0.000000 0.000000 0.675041 Mg\n0.500001 0.500001 0.500000 Mn\n",
"nsites": 4,
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},
{
"id": "jvasp-63887",
"created_at": "2022-09-04T14:36:04.887669Z",
"updated_at": "2022-09-04T14:36:04.887688Z",
"structure_string": "Ba4 Mg1 Mn1\n1.0\n0.000000 4.974236 4.974236\n4.974236 0.000000 4.974236\n4.974236 4.974236 0.000000\nBa Mg Mn\n4 1 1\ndirect\n0.122567 0.625812 0.625812 Ba\n0.625812 0.625812 0.625812 Ba\n0.625812 0.122567 0.625812 Ba\n0.625812 0.625812 0.122567 Ba\n0.250000 0.250000 0.250000 Mg\n0.000000 0.000000 0.000000 Mn\n",
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{
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"created_at": "2022-09-04T14:35:46.572497Z",
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"structure_string": "Ba1 Mg1 Mn1\n1.0\n0.000000 3.891909 3.891909\n3.891909 0.000000 3.891909\n3.891909 3.891909 -0.000000\nBa Mg Mn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mn\n",
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{
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"created_at": "2022-09-04T14:36:56.543292Z",
"updated_at": "2022-09-04T14:36:56.543309Z",
"structure_string": "Ba1 Mg1 Mn4 O8\n1.0\n2.693545 -4.665358 0.000000\n2.693545 4.665358 -0.000000\n-0.000000 0.000000 7.140058\nBa Mg Mn O\n1 1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.000000 0.500000 Mg\n0.333334 0.666668 0.738107 Mn\n0.666668 0.333334 0.738107 Mn\n0.333334 0.666668 0.261893 Mn\n0.666668 0.333334 0.261893 Mn\n0.685888 0.000000 0.679278 O\n0.000000 0.685888 0.679278 O\n0.314113 0.314113 0.679278 O\n0.314113 0.000000 0.320722 O\n0.685889 0.685889 0.320722 O\n0.000000 0.314113 0.320722 O\n0.333334 0.666668 0.000000 O\n0.666668 0.333334 0.000000 O\n",
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]
}