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{
"id": "jvasp-37339",
"created_at": "2022-09-04T14:38:05.114516Z",
"updated_at": "2022-09-04T14:38:05.114536Z",
"structure_string": "Sr1 Ac1 Tl2\n1.0\n-0.000000 4.090763 4.090763\n4.090763 -0.000000 4.090763\n4.090763 4.090763 -0.000000\nSr Ac Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Sr\n0.250000 0.250000 0.250000 Ac\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
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{
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"structure_string": "Cd1 Te2\n1.0\n4.222527 0.000000 0.000000\n0.000000 3.143031 0.000000\n0.000000 0.000000 7.736782\nCd Te\n1 2\ndirect\n0.466650 0.000000 0.000000 Cd\n-0.033325 0.000000 0.732177 Te\n-0.033325 0.000000 0.267823 Te\n",
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{
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"updated_at": "2022-09-04T14:38:55.237106Z",
"structure_string": "Sm3 Sb1\n1.0\n2.021807 -3.501872 -0.000000\n2.021807 3.501872 0.000000\n0.000000 -0.000000 9.667674\nSm Sb\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.203676 Sm\n0.666668 0.333334 0.796323 Sm\n0.000000 0.000000 0.000000 Sb\n",
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{
"id": "jvasp-117794",
"created_at": "2022-09-04T14:38:28.565853Z",
"updated_at": "2022-09-04T14:38:28.565885Z",
"structure_string": "I1 Br2\n1.0\n4.419183 -0.551685 0.007592\n0.866123 -5.682551 -0.155735\n0.252566 -0.348461 -4.176311\nI Br\n1 2\ndirect\n0.965810 0.047791 0.067868 I\n0.286675 0.353290 0.782241 Br\n0.644992 0.742317 0.353464 Br\n",
"nsites": 3,
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"elements": [
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"volume": 102.67142566928639,
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"formula_full": "I1 Br2",
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"formula_anonymous": "AB2",
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"spacegroup": 2
},
{
"id": "jvasp-107770",
"created_at": "2022-09-04T14:35:59.618617Z",
"updated_at": "2022-09-04T14:35:59.618635Z",
"structure_string": "Cd4 Te3 Se1\n1.0\n4.546712 0.004312 14.529158\n2.223859 3.965736 14.529158\n0.007354 0.004312 15.223961\nCd Te Se\n4 3 1\ndirect\n0.003597 0.003597 0.003597 Cd\n0.746299 0.746300 0.746300 Cd\n0.498885 0.498886 0.498886 Cd\n0.251317 0.251317 0.251318 Cd\n0.809878 0.809878 0.809879 Te\n0.562218 0.562218 0.562219 Te\n0.314610 0.314610 0.314611 Te\n0.063193 0.063193 0.063193 Se\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Cd-Se-Te",
"density": 5.527687121329948,
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"volume": 273.78936510635583,
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"formula_full": "Cd4 Te3 Se1",
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{
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"created_at": "2022-09-04T14:36:41.268766Z",
"updated_at": "2022-09-04T14:36:41.268791Z",
"structure_string": "Hg2 I1 Br3\n1.0\n4.219624 0.237045 0.051357\n1.593461 3.914371 0.051357\n-0.104633 -0.074724 12.719716\nHg I Br\n2 1 3\ndirect\n0.840590 0.840592 0.444195 Hg\n0.158045 0.158046 0.927782 Hg\n0.569559 0.569561 0.296505 I\n0.431175 0.431177 0.799576 Br\n0.110579 0.110579 0.575526 Br\n0.890048 0.890050 0.059459 Br\n",
"nsites": 6,
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"elements": [
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{
"id": "jvasp-36412",
"created_at": "2022-09-04T14:37:19.812939Z",
"updated_at": "2022-09-04T14:37:19.812957Z",
"structure_string": "Ba1 Si2\n1.0\n4.813375 0.000000 -0.000000\n-0.000000 4.813375 0.000000\n-2.406688 -2.406688 4.430977\nBa Si\n1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.623608 0.623608 0.247214 Si\n0.376393 0.376393 0.752787 Si\n",
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"elements": [
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"volume": 102.65944018704488,
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{
"id": "jvasp-28968",
"created_at": "2022-09-04T14:36:54.964793Z",
"updated_at": "2022-09-04T14:36:54.964824Z",
"structure_string": "Te4 Mo1 W3 Se2 S2\n1.0\n3.404233 0.000000 0.000000\n-1.702116 2.948158 -0.000092\n0.000000 -0.001226 40.915441\nTe Mo W Se S\n4 1 3 2 2\ndirect\n0.333396 0.666796 0.705908 Te\n0.666648 0.333296 0.421506 Te\n0.666686 0.333373 0.513705 Te\n0.333341 0.666686 0.613912 Te\n0.666679 0.333361 0.281365 Mo\n0.333281 0.666564 0.093929 W\n0.333331 0.666666 0.467607 W\n0.666700 0.333402 0.660034 W\n0.333357 0.666718 0.321660 Se\n0.333339 0.666682 0.241132 Se\n0.666599 0.333199 0.057226 S\n0.666628 0.333259 0.130765 S\n",
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"volume": 410.63623402900254,
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"formula_full": "Te4 Mo1 W3 Se2 S2",
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{
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"created_at": "2022-09-04T14:36:00.227738Z",
"updated_at": "2022-09-04T14:36:00.227769Z",
"structure_string": "Ba4 Tc1 Ir1\n1.0\n0.000000 4.682147 4.682147\n4.682147 0.000000 4.682147\n4.682147 4.682147 -0.000000\nBa Tc Ir\n4 1 1\ndirect\n0.126411 0.624530 0.624530 Ba\n0.624530 0.624530 0.624530 Ba\n0.624530 0.126411 0.624530 Ba\n0.624530 0.624530 0.126411 Ba\n0.000000 0.000000 0.000000 Tc\n0.250000 0.250000 0.250000 Ir\n",
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"formula_full": "Ba4 Tc1 Ir1",
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"spacegroup": 216
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{
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"created_at": "2022-09-04T14:36:15.084134Z",
"updated_at": "2022-09-04T14:36:15.084158Z",
"structure_string": "Ba4 Re1 Pt1\n1.0\n-0.000000 4.682034 4.682034\n4.682034 -0.000000 4.682034\n4.682034 4.682034 0.000000\nBa Re Pt\n4 1 1\ndirect\n0.125577 0.624807 0.624807 Ba\n0.624807 0.624807 0.624807 Ba\n0.624807 0.125577 0.624807 Ba\n0.624807 0.624807 0.125577 Ba\n0.000000 0.000000 0.000000 Re\n0.250000 0.250000 0.250000 Pt\n",
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{
"id": "jvasp-116234",
"created_at": "2022-09-04T14:38:40.636626Z",
"updated_at": "2022-09-04T14:38:40.636645Z",
"structure_string": "La2 S1\n1.0\n3.871919 0.000000 0.000000\n0.000000 3.580160 0.000000\n0.000000 0.000000 7.404069\nLa S\n2 1\ndirect\n-0.033365 0.000000 0.731037 La\n-0.033365 0.000000 0.268962 La\n0.466730 0.000000 0.000000 S\n",
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"volume": 102.63586734238153,
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{
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"created_at": "2022-09-04T14:36:48.499608Z",
"updated_at": "2022-09-04T14:36:48.499633Z",
"structure_string": "Ac2 Tl1 Cd1\n1.0\n5.009095 -0.000000 2.892002\n1.669698 4.722620 2.892002\n-0.000000 -0.000000 5.784005\nAc Tl Cd\n2 1 1\ndirect\n0.250000 0.250000 0.249999 Ac\n0.750001 0.750000 0.749998 Ac\n0.000000 0.000000 0.000000 Tl\n0.500001 0.500000 0.499999 Cd\n",
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}