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{
"id": "jvasp-106237",
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"structure_string": "Co6 Sn2\n1.0\n5.323072 0.000000 -0.000000\n-2.661536 4.609917 -0.000000\n-0.000000 -0.000000 4.223575\nCo Sn\n6 2\ndirect\n0.157085 0.314172 0.250000 Co\n0.685828 0.842915 0.250000 Co\n0.157085 0.842915 0.250000 Co\n0.842914 0.685829 0.749999 Co\n0.314171 0.157085 0.749999 Co\n0.842914 0.157085 0.749999 Co\n0.333333 0.666667 0.749999 Sn\n0.666667 0.333333 0.250000 Sn\n",
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{
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"structure_string": "Ca2 O2\n1.0\n3.943448 -0.238577 -0.525674\n-2.096515 -3.265956 0.927501\n1.418456 2.372739 -5.586189\nCa O\n2 2\ndirect\n0.757953 -0.291945 0.789173 Ca\n0.090487 0.874587 0.289156 Ca\n0.757887 0.207952 0.289142 O\n0.090562 0.374666 0.789152 O\n",
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{
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"structure_string": "Ta3 Si6\n1.0\n2.418550 -4.189051 -0.000000\n2.418550 4.189051 0.000000\n0.000000 -0.000000 6.626054\nTa Si\n3 6\ndirect\n0.000000 0.500000 0.833333 Ta\n0.500000 0.000000 0.500000 Ta\n0.500000 0.500000 0.166667 Ta\n0.840541 0.159459 0.166667 Si\n0.159459 0.318918 0.500000 Si\n0.681082 0.840541 0.833333 Si\n0.159459 0.840541 0.166667 Si\n0.840541 0.681082 0.500000 Si\n0.318918 0.159459 0.833333 Si\n",
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{
"id": "jvasp-110743",
"created_at": "2022-09-04T14:38:45.346427Z",
"updated_at": "2022-09-04T14:38:45.346452Z",
"structure_string": "Ac6 Ag2\n1.0\n7.679963 0.000000 0.000000\n-3.839982 6.651042 0.000000\n-0.000000 -0.000000 5.717741\nAc Ag\n6 2\ndirect\n0.175904 0.351807 0.250000 Ac\n0.648193 0.824096 0.250000 Ac\n0.175904 0.824096 0.250000 Ac\n0.824096 0.648193 0.750000 Ac\n0.351807 0.175904 0.750000 Ac\n0.824096 0.175904 0.750000 Ac\n0.333333 0.666666 0.750000 Ag\n0.666666 0.333333 0.250000 Ag\n",
"nsites": 8,
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"spacegroup": 194
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{
"id": "jvasp-116474",
"created_at": "2022-09-04T14:38:43.180505Z",
"updated_at": "2022-09-04T14:38:43.180538Z",
"structure_string": "Ti3 Be9\n1.0\n4.260929 0.002315 6.176037\n1.925459 3.801069 6.176037\n0.003765 0.002315 7.503261\nTi Be\n3 9\ndirect\n0.857454 0.857450 0.857452 Ti\n0.142548 0.142548 0.142548 Ti\n0.000000 0.000000 0.000000 Ti\n0.417783 0.921452 0.417782 Be\n0.417784 0.417780 0.921453 Be\n0.921455 0.417780 0.417782 Be\n0.582220 0.078545 0.582218 Be\n0.582219 0.582218 0.078547 Be\n0.078548 0.582218 0.582218 Be\n0.665933 0.665929 0.665931 Be\n0.334070 0.334069 0.334069 Be\n0.500001 0.499999 0.500000 Be\n",
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"density": 3.0744505558862816,
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"volume": 121.36828558364762,
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"formula_full": "Ti3 Be9",
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{
"id": "jvasp-115184",
"created_at": "2022-09-04T14:38:44.632039Z",
"updated_at": "2022-09-04T14:38:44.632065Z",
"structure_string": "Li1 B1\n1.0\n4.509572 -0.073500 0.895777\n-1.935771 -2.193329 0.018454\n1.252763 0.825774 -1.477241\nLi B\n1 1\ndirect\n0.009903 0.905253 0.826822 Li\n0.509923 0.905202 0.826697 B\n",
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{
"id": "jvasp-110470",
"created_at": "2022-09-04T14:38:39.204622Z",
"updated_at": "2022-09-04T14:38:39.204647Z",
"structure_string": "Sr1 Ca3\n1.0\n5.582366 -0.000000 -0.000000\n-0.000000 5.582366 -0.000000\n0.000000 -0.000000 5.582366\nSr Ca\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n",
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"formula_full": "Sr1 Ca3",
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{
"id": "jvasp-110617",
"created_at": "2022-09-04T14:38:39.197636Z",
"updated_at": "2022-09-04T14:38:39.197657Z",
"structure_string": "Al2 F6\n1.0\n4.724070 -0.070839 -8.270064\n0.023178 3.628855 -0.020161\n0.000187 0.030691 5.928065\nAl F\n2 6\ndirect\n0.558367 0.305707 0.038025 Al\n0.827345 0.305725 0.844473 Al\n0.192865 0.305714 0.441247 F\n0.692871 0.305711 0.941272 F\n0.830699 0.805722 0.854365 F\n0.555007 0.805712 0.028131 F\n0.915171 0.305512 0.663365 F\n0.470543 0.305927 0.219134 F\n",
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"volume": 101.63699678678016,
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"formula_full": "Al2 F6",
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"formula_anonymous": "AB3",
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"spacegroup": 65
},
{
"id": "jvasp-57683",
"created_at": "2022-09-04T14:38:32.636402Z",
"updated_at": "2022-09-04T14:38:32.636432Z",
"structure_string": "Mo6 S8\n1.0\n6.471816 -0.009135 -0.158213\n-0.161904 6.469797 -0.158213\n-0.008922 -0.009135 6.473744\nMo S\n6 8\ndirect\n0.594783 0.450002 0.785885 Mo\n0.450002 0.785886 0.594782 Mo\n0.785885 0.594783 0.450002 Mo\n0.405219 0.550000 0.214116 Mo\n0.549999 0.214116 0.405218 Mo\n0.214116 0.405219 0.549999 Mo\n0.868753 0.264255 0.612361 S\n0.264254 0.612362 0.868752 S\n0.612362 0.868753 0.264254 S\n0.131249 0.735747 0.387639 S\n0.735747 0.387640 0.131249 S\n0.387640 0.131249 0.735746 S\n0.218348 0.218348 0.218348 S\n0.781654 0.781654 0.781653 S\n",
"nsites": 14,
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{
"id": "jvasp-110755",
"created_at": "2022-09-04T14:38:39.180482Z",
"updated_at": "2022-09-04T14:38:39.180515Z",
"structure_string": "Ca3 Y1\n1.0\n5.324466 -0.000000 0.000000\n0.000000 5.324466 0.000000\n-0.000000 -0.000000 5.324466\nCa Y\n3 1\ndirect\n-0.000000 0.500000 0.500000 Ca\n0.500000 0.000000 0.500000 Ca\n0.500000 0.500000 -0.000000 Ca\n0.000000 0.000000 0.000000 Y\n",
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{
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"created_at": "2022-09-04T14:38:43.839516Z",
"updated_at": "2022-09-04T14:38:43.839545Z",
"structure_string": "Ga2 I1\n1.0\n6.325795 0.000000 1.024562\n0.000000 3.691627 0.000000\n1.026673 0.000000 4.673763\nGa I\n2 1\ndirect\n-0.095275 0.000000 -0.016369 Ga\n0.029110 0.000000 0.422193 Ga\n0.466165 0.000000 -0.005824 I\n",
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{
"id": "jvasp-19781",
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"structure_string": "Er1 S1\n1.0\n3.337530 0.000000 1.926925\n1.112510 3.146654 1.926925\n-0.000000 -0.000000 3.853848\nEr S\n1 1\ndirect\n0.000000 0.000000 0.000000 Er\n0.500000 0.499999 0.499999 S\n",
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