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{
"id": "jvasp-93122",
"created_at": "2022-09-04T14:35:57.180341Z",
"updated_at": "2022-09-04T14:35:57.180359Z",
"structure_string": "La1 Mg6 Mo1\n1.0\n6.707402 0.433664 0.000000\n-2.978136 5.158283 0.000000\n0.000000 0.000000 5.112844\nLa Mg Mo\n1 6 1\ndirect\n0.140158 0.320078 0.250000 La\n0.644772 0.323403 0.250000 Mg\n0.644771 0.821366 0.250000 Mg\n0.342093 0.157859 0.749999 Mg\n0.342092 0.684235 0.749999 Mg\n0.806222 0.153111 0.749999 Mg\n0.901544 0.700772 0.749999 Mg\n0.178344 0.839170 0.250000 Mo\n",
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{
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"structure_string": "Li1 Hf1 Mg6\n1.0\n6.016509 -1.611952 0.000000\n-4.404246 7.628376 0.000000\n0.000000 0.000000 4.525304\nLi Hf Mg\n1 1 6\ndirect\n0.249810 0.374904 0.250000 Li\n0.250075 0.875037 0.250000 Hf\n0.749994 0.375042 0.250000 Mg\n0.749994 0.874953 0.250000 Mg\n0.250022 0.121157 0.749999 Mg\n0.250022 0.628866 0.749999 Mg\n0.742358 0.121179 0.749999 Mg\n0.757724 0.628863 0.749999 Mg\n",
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{
"id": "jvasp-93127",
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"structure_string": "Ce1 Mg6 Cd1\n1.0\n6.884958 -0.307869 0.000000\n-3.709102 5.808614 0.000000\n0.000000 0.000000 5.027364\nCe Mg Cd\n1 6 1\ndirect\n0.190548 0.309451 0.250000 Ce\n0.172193 0.812520 0.250000 Mg\n0.687479 0.327807 0.250000 Mg\n0.650695 0.849304 0.250000 Mg\n0.315437 0.672167 0.749999 Mg\n0.827833 0.184563 0.749999 Mg\n0.804266 0.695733 0.749999 Mg\n0.351547 0.148453 0.749999 Cd\n",
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"formula_full": "Ce1 Mg6 Cd1",
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},
{
"id": "jvasp-93129",
"created_at": "2022-09-04T14:36:09.356055Z",
"updated_at": "2022-09-04T14:36:09.356074Z",
"structure_string": "Ce1 Mg6 B1\n1.0\n6.448128 0.955945 0.000000\n-2.396191 6.062213 0.000000\n0.000000 0.000000 4.316541\nCe Mg B\n1 6 1\ndirect\n0.119874 0.380125 0.250000 Ce\n0.205633 0.924033 0.250000 Mg\n0.575967 0.294366 0.250000 Mg\n0.688670 0.811329 0.250000 Mg\n0.404944 0.643934 0.750000 Mg\n0.856065 0.095055 0.750000 Mg\n0.888958 0.611041 0.750000 Mg\n0.259888 0.240112 0.750000 B\n",
"nsites": 8,
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"elements": [
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"density": 2.7587853903583004,
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"volume": 178.6208501426841,
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"formula_full": "Ce1 Mg6 B1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
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{
"id": "jvasp-93131",
"created_at": "2022-09-04T14:36:13.549444Z",
"updated_at": "2022-09-04T14:36:13.549458Z",
"structure_string": "Ce1 Mg6 Si1\n1.0\n7.161293 0.758143 0.000000\n-2.924076 5.064646 0.000000\n0.000000 0.000000 4.874348\nCe Mg Si\n1 6 1\ndirect\n0.107621 0.303810 0.250000 Ce\n0.622650 0.314858 0.250000 Mg\n0.622650 0.807792 0.250000 Mg\n0.352430 0.177786 0.750000 Mg\n0.352430 0.674646 0.750000 Mg\n0.785182 0.142591 0.750000 Mg\n0.926300 0.713151 0.750000 Mg\n0.230735 0.865367 0.250000 Si\n",
"nsites": 8,
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"density": 2.779712145986065,
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"volume": 187.59553022279454,
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"formula_full": "Ce1 Mg6 Si1",
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"spacegroup": 38
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{
"id": "jvasp-93134",
"created_at": "2022-09-04T14:36:17.196309Z",
"updated_at": "2022-09-04T14:36:17.196328Z",
"structure_string": "La1 Mg6 Nb1\n1.0\n6.617131 -0.094238 0.000000\n-3.390178 5.683484 0.000000\n0.000000 0.000000 5.060905\nLa Mg Nb\n1 6 1\ndirect\n0.196955 0.303044 0.250000 La\n0.187212 0.829915 0.250000 Mg\n0.670084 0.312787 0.250000 Mg\n0.665645 0.834354 0.250000 Mg\n0.327575 0.686346 0.750001 Mg\n0.813653 0.172424 0.750001 Mg\n0.824912 0.675087 0.750001 Mg\n0.313960 0.186039 0.750001 Nb\n",
"nsites": 8,
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"formula_full": "La1 Mg6 Nb1",
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{
"id": "jvasp-93135",
"created_at": "2022-09-04T14:35:41.928571Z",
"updated_at": "2022-09-04T14:35:41.928606Z",
"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
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"elements": [
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"density": 3.275725456559809,
"density_atomic": 0.03882332031367656,
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"formula_full": "La1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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{
"id": "jvasp-9314",
"created_at": "2022-09-04T14:36:32.532588Z",
"updated_at": "2022-09-04T14:36:32.532617Z",
"structure_string": "Ba1 Sb4 O8\n1.0\n3.124490 -5.411777 0.000000\n3.124490 5.411777 0.000000\n-0.000000 0.000000 7.110093\nBa Sb O\n1 4 8\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.278474 Sb\n0.666667 0.333333 0.278474 Sb\n0.333333 0.666667 0.721526 Sb\n0.666667 0.333333 0.721526 Sb\n0.660971 0.660971 0.268240 O\n-0.000000 0.339029 0.268240 O\n0.339029 -0.000000 0.268240 O\n0.339029 0.339029 0.731760 O\n0.660971 -0.000000 0.731760 O\n-0.000000 0.660971 0.731760 O\n0.333333 0.666667 0.000000 O\n0.666667 0.333333 0.000000 O\n",
"nsites": 13,
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"density": 5.195791995981365,
"density_atomic": 0.05406535309905586,
"volume": 240.44973823036068,
"volume_molar": 11.138632071756811,
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"formula_anonymous": "AB4C8",
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"spacegroup": 162
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{
"id": "jvasp-93140",
"created_at": "2022-09-04T14:35:46.617950Z",
"updated_at": "2022-09-04T14:35:46.617979Z",
"structure_string": "Ce1 Mg6 C1\n1.0\n6.722241 1.518685 0.000000\n-2.296442 5.734198 0.000000\n0.000000 0.000000 4.498849\nCe Mg C\n1 6 1\ndirect\n0.125788 0.340437 0.250000 Ce\n0.609448 0.350349 0.250000 Mg\n0.546879 0.865611 0.250000 Mg\n0.269240 0.020110 0.750000 Mg\n0.424222 0.571847 0.750000 Mg\n0.808525 0.108327 0.750000 Mg\n0.883266 0.636796 0.750000 Mg\n0.332634 0.106529 0.250000 C\n",
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"formula_full": "Ce1 Mg6 C1",
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"spacegroup": 6
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{
"id": "jvasp-93142",
"created_at": "2022-09-04T14:35:50.121793Z",
"updated_at": "2022-09-04T14:35:50.121809Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.726646 0.377328 0.000000\n-3.036548 5.259454 0.000000\n0.000000 0.000000 5.177565\nCe Hf Mg\n1 1 6\ndirect\n0.144319 0.322159 0.250000 Ce\n0.167578 0.833789 0.250000 Hf\n0.651358 0.328234 0.250000 Mg\n0.651358 0.823123 0.250000 Mg\n0.346152 0.169754 0.750001 Mg\n0.346152 0.676399 0.750001 Mg\n0.822357 0.161179 0.750001 Mg\n0.870726 0.685364 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:35:53.949142Z",
"updated_at": "2022-09-04T14:35:53.949166Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.364231 0.030546 0.000000\n-3.155662 5.465766 0.000000\n0.000000 0.000000 5.079176\nNa Mg Si\n1 6 1\ndirect\n0.166890 0.833444 0.250000 Na\n0.667780 0.336373 0.250000 Mg\n0.667780 0.831408 0.250000 Mg\n0.327964 0.171430 0.750001 Mg\n0.327964 0.656536 0.750001 Mg\n0.835876 0.167939 0.750001 Mg\n0.827371 0.663687 0.750001 Mg\n0.178378 0.339188 0.250000 Si\n",
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{
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"created_at": "2022-09-04T14:35:57.301131Z",
"updated_at": "2022-09-04T14:35:57.301164Z",
"structure_string": "Na1 Mg6 Si1\n1.0\n6.358379 0.007213 0.000000\n-3.172943 5.510124 0.000000\n0.000000 0.000000 5.053760\nNa Mg Si\n1 6 1\ndirect\n0.328767 0.171233 0.750000 Na\n0.164221 0.825831 0.250000 Mg\n0.674169 0.335778 0.250000 Mg\n0.668883 0.831117 0.250000 Mg\n0.328743 0.659034 0.750000 Mg\n0.840965 0.171256 0.750000 Mg\n0.835526 0.664473 0.750000 Mg\n0.158726 0.341274 0.250000 Si\n",
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