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{
"id": "jvasp-104617",
"created_at": "2022-09-04T14:36:42.659138Z",
"updated_at": "2022-09-04T14:36:42.659157Z",
"structure_string": "Sr1 La1 Pt2\n1.0\n4.476210 -0.000000 2.584341\n1.492070 4.220211 2.584341\n-0.000000 -0.000000 5.168682\nSr La Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 La\n0.250000 0.250000 0.250000 Pt\n0.750000 0.750000 0.750000 Pt\n",
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{
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"structure_string": "Sr1 La1 Ti1 Mn1 O6\n1.0\n4.803870 -0.004819 2.717787\n1.582759 4.535644 2.717787\n-0.006793 -0.004819 5.519374\nSr La Ti Mn O\n1 1 1 1 6\ndirect\n0.749995 0.749993 0.749994 Sr\n0.250635 0.250634 0.250635 La\n0.000771 0.000771 0.000771 Ti\n0.499998 0.499997 0.499997 Mn\n0.202935 0.751509 0.294342 O\n0.751511 0.294341 0.202935 O\n0.294342 0.202934 0.751510 O\n0.247727 0.692422 0.809670 O\n0.692423 0.809669 0.247727 O\n0.809671 0.247726 0.692422 O\n",
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{
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"structure_string": "Sr1 La1 Tl1 Cu1 O5\n1.0\n3.786608 -0.000000 0.000000\n0.000000 3.786608 0.000000\n-0.000000 -0.000000 8.901052\nSr La Tl Cu O\n1 1 1 1 5\ndirect\n0.500000 0.500000 0.784421 Sr\n0.500000 0.500000 0.197012 La\n0.000000 0.000000 0.497873 Tl\n0.000000 0.000000 0.988280 Cu\n0.000000 0.000000 0.734248 O\n0.000000 0.000000 0.259758 O\n-0.000000 0.500000 0.008518 O\n0.500000 0.000000 0.008518 O\n0.500000 0.500000 0.481371 O\n",
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"density": 7.4741297864872065,
"density_atomic": 0.07051807932189043,
"volume": 127.62684529336285,
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"formula_full": "Sr1 La1 Tl1 Cu1 O5",
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"spacegroup": 99
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{
"id": "jvasp-79287",
"created_at": "2022-09-04T14:37:11.189752Z",
"updated_at": "2022-09-04T14:37:11.189778Z",
"structure_string": "Sr1 La1 Zr2\n1.0\n0.000000 3.905791 3.905791\n3.905791 0.000000 3.905791\n3.905791 3.905791 0.000000\nSr La Zr\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 La\n0.750000 0.750000 0.750000 Zr\n0.250000 0.250000 0.250000 Zr\n",
"nsites": 4,
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"elements": [
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"density": 5.698850145471518,
"density_atomic": 0.033566263120232184,
"volume": 119.16727178334563,
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"formula_full": "Sr1 La1 Zr2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-119453",
"created_at": "2022-09-04T14:38:33.539159Z",
"updated_at": "2022-09-04T14:38:33.539177Z",
"structure_string": "Sr1 La2 Mn3 O9\n1.0\n5.478227 0.002254 -0.003991\n-2.741843 4.744774 -0.003044\n0.002905 0.002923 6.703669\nSr La Mn O\n1 2 3 9\ndirect\n0.000003 0.999994 -0.000001 Sr\n0.666656 0.333317 0.330727 La\n0.333350 0.666674 0.669273 La\n0.666681 0.333336 0.834811 Mn\n0.333328 0.666653 0.165190 Mn\n0.000004 -0.000002 0.500000 Mn\n0.830822 0.661599 0.660704 O\n0.169190 0.338400 0.339301 O\n0.830830 0.169251 0.660669 O\n0.169182 0.830746 0.339330 O\n0.338475 0.169254 0.660638 O\n0.661536 0.830742 0.339362 O\n0.500003 0.499991 0.000004 O\n0.000001 0.499991 0.000002 O\n0.500002 -0.000010 -0.000004 O\n",
"nsites": 15,
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"elements": [
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"chemical_system": "La-Mn-O-Sr",
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"formula_full": "Sr1 La2 Mn3 O9",
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{
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"created_at": "2022-09-04T14:36:48.906474Z",
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"structure_string": "Sr1 La3\n1.0\n4.909296 -0.000589 -4.416546\n-0.974670 4.811570 -4.416546\n0.000482 0.000589 6.603564\nSr La\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.750000 0.250000 0.499999 La\n0.250000 0.750000 0.499999 La\n0.500000 0.500000 -0.000000 La\n",
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},
{
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"created_at": "2022-09-04T14:38:41.986550Z",
"updated_at": "2022-09-04T14:38:41.986572Z",
"structure_string": "Sr1 La3 Mn4 O12\n1.0\n5.472355 0.000630 -0.014026\n-0.111708 7.782171 0.000280\n0.014380 -0.000213 5.529170\nSr La Mn O\n1 3 4 12\ndirect\n0.500006 0.249995 0.002644 Sr\n0.000003 0.749999 0.497162 La\n0.499992 0.750003 -0.000106 La\n0.000001 0.250003 0.500032 La\n0.000225 0.498854 0.000109 Mn\n0.500067 0.001245 0.499822 Mn\n-0.000220 0.001147 0.000112 Mn\n0.499928 0.498756 0.499818 Mn\n0.499992 0.749999 0.447783 O\n-0.000010 0.250001 0.945840 O\n0.220163 0.021435 0.280008 O\n0.727709 0.531874 0.772274 O\n0.500008 0.250001 0.543210 O\n0.729912 0.018371 0.229912 O\n0.775233 0.972103 0.724811 O\n0.270099 0.481627 0.229903 O\n0.779861 0.478572 0.280021 O\n0.224744 0.527892 0.724789 O\n0.000010 0.750000 0.049584 O\n0.272278 0.968128 0.772269 O\n",
"nsites": 20,
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"elements": [
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],
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"density": 6.460179273511787,
"density_atomic": 0.0849359224148565,
"volume": 235.4716288629099,
"volume_molar": 7.090216469994612,
"formula_full": "Sr1 La3 Mn4 O12",
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"formula_anonymous": "AB3C4D12",
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{
"id": "jvasp-107740",
"created_at": "2022-09-04T14:37:40.441485Z",
"updated_at": "2022-09-04T14:37:40.441504Z",
"structure_string": "Sr1 Li1 Al1 Sb2\n1.0\n4.575491 -0.000000 0.000000\n-2.287745 3.962491 0.000000\n-0.000000 -0.000000 7.811211\nSr Li Al Sb\n1 1 1 2\ndirect\n0.333332 0.666666 0.026155 Sr\n0.666666 0.333333 0.365251 Li\n0.000000 0.000000 0.603229 Al\n0.000000 0.000000 0.266248 Sb\n0.666666 0.333333 0.739116 Sb\n",
"nsites": 5,
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],
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"density": 4.2804753793743835,
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"volume": 141.6199261461633,
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"formula_full": "Sr1 Li1 Al1 Sb2",
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"formula_anonymous": "ABCD2",
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"spacegroup": 156
},
{
"id": "jvasp-69404",
"created_at": "2022-09-04T14:36:00.663977Z",
"updated_at": "2022-09-04T14:36:00.663990Z",
"structure_string": "Sr1 Li1 Be2\n1.0\n3.357310 -0.000000 0.000000\n-0.000000 3.357310 -0.000000\n-0.000000 -0.000000 6.785739\nSr Li Be\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.840321 Be\n0.000000 0.000000 0.159679 Be\n",
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},
{
"id": "jvasp-8606",
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"updated_at": "2022-09-04T14:36:43.359425Z",
"structure_string": "Sr1 Li1 H3\n1.0\n4.650943 0.000000 0.000000\n-0.000000 4.650943 0.000000\n0.000000 0.000000 4.650943\nSr Li H\n1 1 3\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 H\n0.500000 0.000000 0.500000 H\n0.500000 0.500000 0.000000 H\n",
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],
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"formula_full": "Sr1 Li1 H3",
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},
{
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"created_at": "2022-09-04T14:36:03.898880Z",
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"structure_string": "Sr1 Li1 Mg6\n1.0\n7.104236 -0.344156 0.000000\n-3.850166 5.980370 0.000000\n0.000000 0.000000 5.119346\nSr Li Mg\n1 1 6\ndirect\n0.305212 0.194788 0.750001 Sr\n0.136025 0.363974 0.250000 Li\n0.184117 0.818170 0.250000 Mg\n0.681830 0.315882 0.250000 Mg\n0.693506 0.806493 0.250000 Mg\n0.328306 0.688011 0.750001 Mg\n0.811989 0.171693 0.750001 Mg\n0.859012 0.640987 0.750001 Mg\n",
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{
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"structure_string": "Sr1 Li1 Mg6\n1.0\n7.202574 0.493734 0.000000\n-3.173701 5.497011 0.000000\n0.000000 0.000000 5.132612\nSr Li Mg\n1 1 6\ndirect\n0.108271 0.804134 0.250000 Sr\n0.237133 0.368566 0.250000 Li\n0.632833 0.308193 0.250000 Mg\n0.632833 0.824637 0.250000 Mg\n0.357363 0.179521 0.750000 Mg\n0.357363 0.677843 0.750000 Mg\n0.903322 0.201661 0.750000 Mg\n0.770880 0.635441 0.750000 Mg\n",
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}
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