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{
"id": "jvasp-113510",
"created_at": "2022-09-04T14:38:45.163585Z",
"updated_at": "2022-09-04T14:38:45.163613Z",
"structure_string": "Ba3 Te1\n1.0\n8.224089 0.860776 -0.309313\n-3.361787 -7.582417 0.095366\n2.440577 0.287906 -3.936502\nBa Te\n3 1\ndirect\n0.022338 0.001676 0.882588 Ba\n0.702321 0.359350 0.880112 Ba\n0.344617 0.644118 0.880361 Ba\n0.522311 0.001737 0.381394 Te\n",
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{
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"updated_at": "2022-09-04T14:35:59.084925Z",
"structure_string": "U4 Mn4 B16\n1.0\n3.456921 0.000000 0.000000\n0.000000 5.841372 -0.000000\n0.000000 -0.000000 11.322587\nU Mn B\n4 4 16\ndirect\n0.000000 0.126609 0.849537 U\n0.000000 0.873391 0.150463 U\n0.000000 0.373391 0.349537 U\n0.000000 0.626608 0.650463 U\n0.000000 0.135601 0.591256 Mn\n0.000000 0.864399 0.408745 Mn\n0.000000 0.364399 0.091255 Mn\n0.000000 0.635601 0.908745 Mn\n0.500000 0.526271 0.191242 B\n0.500000 0.473729 0.808758 B\n0.500000 0.886832 0.545793 B\n0.500000 0.113168 0.454207 B\n0.500000 0.613168 0.045793 B\n0.500000 0.386832 0.954207 B\n0.500000 0.864263 0.966785 B\n0.500000 0.784122 0.813058 B\n0.500000 0.635737 0.466785 B\n0.500000 0.364263 0.533215 B\n0.500000 0.026271 0.308758 B\n0.500000 0.215878 0.186942 B\n0.500000 0.715878 0.313058 B\n0.500000 0.284122 0.686942 B\n0.500000 0.135737 0.033215 B\n0.500000 0.973729 0.691242 B\n",
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{
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"created_at": "2022-09-04T14:35:43.171810Z",
"updated_at": "2022-09-04T14:35:43.171838Z",
"structure_string": "Ba4 Ge1 W1\n1.0\n-0.000000 4.853401 4.853401\n4.853401 0.000000 4.853401\n4.853401 4.853401 0.000000\nBa Ge W\n4 1 1\ndirect\n0.126013 0.624662 0.624662 Ba\n0.624662 0.624662 0.624662 Ba\n0.624662 0.126013 0.624662 Ba\n0.624662 0.624662 0.126013 Ba\n0.250000 0.250000 0.250000 Ge\n0.000000 0.000000 0.000000 W\n",
"nsites": 6,
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"formula_full": "Ba4 Ge1 W1",
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"spacegroup": 216
},
{
"id": "jvasp-120423",
"created_at": "2022-09-04T14:38:37.140411Z",
"updated_at": "2022-09-04T14:38:37.140437Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.838930 -0.040840 -0.804163\n-0.954443 4.793687 -0.918620\n-0.006648 0.092564 9.854093\nLi Mn Co O\n8 2 4 14\ndirect\n0.291450 0.570429 0.081841 Li\n0.413310 0.858908 0.354638 Li\n0.867261 0.716353 0.221465 Li\n0.009785 0.004740 0.493684 Li\n0.570451 0.137643 0.639262 Li\n0.142014 0.287772 0.781439 Li\n0.711540 0.426351 0.928622 Li\n0.143391 0.288493 0.287952 Li\n0.002212 0.003858 0.004922 Mn\n0.711391 0.424797 0.424006 Mn\n0.572356 0.143757 0.144603 Co\n0.856502 0.713057 0.713204 Co\n0.285112 0.570793 0.570082 Co\n0.428047 0.856724 0.856797 Co\n0.352566 0.189770 0.968190 O\n0.072132 0.666873 0.886951 O\n0.215439 0.935769 0.166112 O\n0.647004 0.810816 0.031060 O\n0.766383 0.090454 0.319961 O\n0.374247 0.241240 0.469677 O\n0.932707 0.381146 0.602700 O\n0.503238 0.529891 0.746163 O\n0.519549 0.483299 0.253705 O\n0.638155 0.759576 0.540209 O\n0.062477 0.634086 0.403922 O\n0.210587 0.899916 0.684827 O\n0.784093 0.044829 0.824127 O\n0.916604 0.328658 0.099879 O\n",
"nsites": 28,
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],
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"formula_full": "Li8 Mn2 Co4 O14",
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{
"id": "jvasp-66238",
"created_at": "2022-09-04T14:36:21.822961Z",
"updated_at": "2022-09-04T14:36:21.822984Z",
"structure_string": "Ba4 In1 Mo1\n1.0\n0.000000 4.853432 4.853432\n4.853432 -0.000000 4.853432\n4.853432 4.853432 -0.000000\nBa In Mo\n4 1 1\ndirect\n0.123842 0.625386 0.625386 Ba\n0.625386 0.625386 0.625386 Ba\n0.625386 0.123842 0.625386 Ba\n0.625386 0.625386 0.123842 Ba\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 6,
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"elements": [
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],
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"formula_full": "Ba4 In1 Mo1",
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"spacegroup": 216
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{
"id": "jvasp-66114",
"created_at": "2022-09-04T14:36:08.420980Z",
"updated_at": "2022-09-04T14:36:08.421007Z",
"structure_string": "Ba4 Co1 Si1\n1.0\n-0.000000 4.853550 4.853550\n4.853550 -0.000000 4.853550\n4.853550 4.853550 -0.000000\nBa Co Si\n4 1 1\ndirect\n0.123482 0.625506 0.625506 Ba\n0.625506 0.625506 0.625506 Ba\n0.625506 0.123482 0.625506 Ba\n0.625506 0.625506 0.123482 Ba\n0.250000 0.250000 0.250000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 6,
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"elements": [
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"Si"
],
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"volume": 228.66964607222778,
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"formula_full": "Ba4 Co1 Si1",
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"spacegroup": 216
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{
"id": "jvasp-29617",
"created_at": "2022-09-04T14:38:05.312382Z",
"updated_at": "2022-09-04T14:38:05.312420Z",
"structure_string": "Bi2 Se2\n1.0\n4.179543 0.113103 -0.713919\n-0.234760 4.174476 -0.713920\n0.077951 0.084726 13.058398\nBi Se\n2 2\ndirect\n0.683858 0.683859 0.370772 Bi\n0.313048 0.313049 0.629238 Bi\n0.799139 0.799140 0.603545 Se\n0.195953 0.195954 0.396446 Se\n",
"nsites": 4,
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"elements": [
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"density": 4.181799889557536,
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"volume": 228.67487478126114,
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"formula_full": "Bi2 Se2",
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"spacegroup": 139
},
{
"id": "jvasp-52394",
"created_at": "2022-09-04T14:37:04.325052Z",
"updated_at": "2022-09-04T14:37:04.325072Z",
"structure_string": "W4 O12\n1.0\n0.000000 3.925268 -0.000086\n7.536670 -0.000000 -0.000000\n-0.000000 -0.000285 -7.730475\nW O\n4 12\ndirect\n0.941887 0.250000 0.028506 W\n0.058115 0.750000 0.971496 W\n0.941902 0.750000 0.471494 W\n0.058100 0.250000 0.528507 W\n0.511177 0.750000 -0.012560 O\n0.488823 0.250000 0.012561 O\n0.006911 0.250000 0.760025 O\n-0.006910 0.750000 0.239976 O\n0.000001 0.500000 0.500000 O\n0.000001 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.000000 0.500000 -0.000000 O\n0.006917 0.750000 0.739978 O\n0.993085 0.250000 0.260023 O\n0.511173 0.250000 0.512565 O\n0.488829 0.750000 0.487436 O\n",
"nsites": 16,
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"elements": [
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"density": 6.7334725062686465,
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"volume": 228.69411755781192,
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"formula_full": "W4 O12",
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{
"id": "jvasp-64027",
"created_at": "2022-09-04T14:36:05.642052Z",
"updated_at": "2022-09-04T14:36:05.642076Z",
"structure_string": "Ba4 Ni1 Se1\n1.0\n-0.000000 4.853848 4.853848\n4.853848 -0.000000 4.853848\n4.853848 4.853848 -0.000000\nBa Ni Se\n4 1 1\ndirect\n0.123797 0.625401 0.625401 Ba\n0.625401 0.625401 0.625401 Ba\n0.625401 0.123797 0.625401 Ba\n0.625401 0.625401 0.123797 Ba\n0.250000 0.250000 0.250000 Ni\n0.000000 0.000000 0.000000 Se\n",
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{
"id": "jvasp-48307",
"created_at": "2022-09-04T14:36:54.793863Z",
"updated_at": "2022-09-04T14:36:54.793888Z",
"structure_string": "Li2 Fe1 P4 O12\n1.0\n-5.137428 -0.176338 0.203737\n2.644428 6.774678 -0.350405\n-0.774804 -2.791878 -6.528800\nLi Fe P O\n2 1 4 12\ndirect\n0.942143 0.275908 0.437948 Li\n0.057856 0.724091 0.562051 Li\n0.000000 0.000000 0.000000 Fe\n0.550472 0.205758 0.788538 P\n0.438071 0.578106 0.769932 P\n0.561928 0.421893 0.230067 P\n0.449527 0.794241 0.211461 P\n0.300302 0.011987 0.806065 O\n0.590335 0.659175 0.269783 O\n0.749894 0.727459 0.792958 O\n0.247933 0.561716 0.614697 O\n0.752066 0.438283 0.385302 O\n0.699697 0.988012 0.193934 O\n0.409664 0.340824 0.730215 O\n0.307740 0.640832 0.986640 O\n0.692259 0.359167 0.013358 O\n0.774443 0.170464 0.654647 O\n0.250105 0.272540 0.207041 O\n0.225556 0.829535 0.345351 O\n",
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{
"id": "jvasp-66588",
"created_at": "2022-09-04T14:36:09.965373Z",
"updated_at": "2022-09-04T14:36:09.965403Z",
"structure_string": "Ba4 Tl1 Pt1\n1.0\n-0.000000 4.854010 4.854010\n4.854010 -0.000000 4.854010\n4.854010 4.854010 -0.000000\nBa Tl Pt\n4 1 1\ndirect\n0.127259 0.624247 0.624247 Ba\n0.624247 0.624247 0.624247 Ba\n0.624247 0.127259 0.624247 Ba\n0.624247 0.624247 0.127259 Ba\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-119421",
"created_at": "2022-09-04T14:38:51.194387Z",
"updated_at": "2022-09-04T14:38:51.194412Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.783711 -0.003395 1.098002\n0.729989 6.324760 0.434743\n-0.042458 0.014753 7.551388\nLi Mn Co O\n8 2 4 14\ndirect\n0.920231 0.155350 0.632920 Li\n0.644268 0.704040 0.229636 Li\n0.509902 0.998507 0.501563 Li\n0.215708 0.564947 0.075886 Li\n0.060327 0.845442 0.365195 Li\n0.774707 0.436604 0.920296 Li\n0.372761 0.293051 0.772967 Li\n0.715869 0.569217 0.568380 Li\n0.999746 0.001466 0.001132 Mn\n0.146494 0.707850 0.707430 Mn\n0.572202 0.856587 0.856029 Co\n0.284649 0.430303 0.430176 Co\n0.428037 0.142921 0.144029 Co\n0.856291 0.287463 0.287926 Co\n0.449157 0.593043 0.821559 O\n0.249766 0.984505 0.763892 O\n0.974590 0.550864 0.322316 O\n0.829409 0.853764 0.626101 O\n0.535391 0.407552 0.193843 O\n0.371615 0.708200 0.474621 O\n0.107833 0.266570 0.046410 O\n0.680448 0.128071 0.906191 O\n0.603962 0.290387 0.517534 O\n0.319403 0.875107 0.094531 O\n0.179905 0.164124 0.376494 O\n0.891439 0.731210 0.952910 O\n0.751631 0.011931 0.236139 O\n0.054253 0.440907 0.673888 O\n",
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],
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"volume": 228.76824069394974,
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"formula_full": "Li8 Mn2 Co4 O14",
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]
}