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{
"id": "jvasp-106834",
"created_at": "2022-09-04T14:38:47.646321Z",
"updated_at": "2022-09-04T14:38:47.646347Z",
"structure_string": "Cd5 Te4 S1\n1.0\n4.540808 0.003857 18.300277\n2.239752 3.949995 18.300277\n0.006615 0.003857 18.855212\nCd Te S\n5 4 1\ndirect\n0.994960 0.994961 0.994962 Cd\n0.604922 0.604923 0.604923 Cd\n0.202379 0.202379 0.202379 Cd\n0.799898 0.799899 0.799899 Cd\n0.397396 0.397397 0.397397 Cd\n0.553921 0.553922 0.553923 Te\n0.151589 0.151589 0.151589 Te\n0.749117 0.749119 0.749119 Te\n0.346654 0.346655 0.346655 Te\n0.949155 0.949157 0.949157 S\n",
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{
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"structure_string": "Ba1 Bi1 Br2\n1.0\n4.105244 0.000000 0.000000\n0.000000 5.311952 0.000000\n0.000000 0.000000 6.447927\nBa Bi Br\n1 1 2\ndirect\n0.500000 0.500000 0.763437 Ba\n0.000000 0.000000 0.520049 Bi\n0.000000 0.000000 0.962020 Br\n0.500000 0.500000 0.254494 Br\n",
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{
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"updated_at": "2022-09-04T14:38:42.285294Z",
"structure_string": "Ba2 Cl2\n1.0\n4.275398 -0.000000 -0.000000\n-0.000000 4.275398 0.000000\n-0.000000 -0.000000 8.253351\nBa Cl\n2 2\ndirect\n0.000000 0.000000 0.765417 Ba\n0.500000 0.500000 0.234582 Ba\n0.000000 0.000000 0.370022 Cl\n0.500000 0.500000 0.629978 Cl\n",
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{
"id": "jvasp-114789",
"created_at": "2022-09-04T14:38:43.709049Z",
"updated_at": "2022-09-04T14:38:43.709079Z",
"structure_string": "Na1 Sn1 Cl3\n1.0\n3.717042 2.146035 3.295729\n-3.717042 2.146035 3.295729\n0.000000 -4.292071 3.295729\nNa Sn Cl\n1 1 3\ndirect\n0.876081 0.876081 0.876078 Na\n0.517734 0.517734 0.517733 Sn\n0.837876 0.837876 0.370195 Cl\n0.837875 0.370197 0.837874 Cl\n0.370197 0.837875 0.837874 Cl\n",
"nsites": 5,
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],
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"density": 2.611359124205145,
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{
"id": "jvasp-114781",
"created_at": "2022-09-04T14:38:43.299928Z",
"updated_at": "2022-09-04T14:38:43.299951Z",
"structure_string": "Rb1 Na1 Cl2\n1.0\n4.390895 0.000000 -0.000000\n-0.000000 4.390895 -0.000000\n-0.000000 -0.000000 6.303019\nRb Na Cl\n1 1 2\ndirect\n0.500000 0.500000 0.507023 Rb\n0.000000 0.000000 0.025228 Na\n0.000000 0.000000 0.473580 Cl\n0.500000 0.500000 0.004169 Cl\n",
"nsites": 4,
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"elements": [
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"spacegroup": 99
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{
"id": "jvasp-110703",
"created_at": "2022-09-04T14:38:43.116519Z",
"updated_at": "2022-09-04T14:38:43.116540Z",
"structure_string": "Rb2 Tb1 Ag1 Cl6\n1.0\n6.507590 -0.000000 3.757159\n2.169197 6.135415 3.757159\n-0.000000 -0.000000 7.514318\nTb Rb Ag Cl\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 Tb\n0.750001 0.749999 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.500000 0.500000 0.500000 Ag\n0.752893 0.247107 0.247108 Cl\n0.247108 0.247107 0.752893 Cl\n0.247108 0.752892 0.752893 Cl\n0.247108 0.752892 0.247108 Cl\n0.752893 0.247107 0.752893 Cl\n0.752893 0.752892 0.247108 Cl\n",
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"formula_full": "Rb2 Tb1 Ag1 Cl6",
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{
"id": "jvasp-21699",
"created_at": "2022-09-04T14:38:34.749282Z",
"updated_at": "2022-09-04T14:38:34.749306Z",
"structure_string": "Yb8 Pb4\n1.0\n5.277379 -0.000000 0.000000\n-0.000000 7.106594 0.000000\n0.000000 0.000000 9.361438\nYb Pb\n8 4\ndirect\n0.250000 0.490065 0.219818 Yb\n0.750000 0.509934 0.780183 Yb\n0.250000 0.990065 0.280182 Yb\n0.750000 0.009935 0.719818 Yb\n0.750000 0.205546 0.079817 Yb\n0.250000 0.794454 0.920183 Yb\n0.750000 0.705545 0.420183 Yb\n0.250000 0.294454 0.579818 Yb\n0.250000 0.758965 0.590030 Pb\n0.750000 0.241034 0.409970 Pb\n0.250000 0.258966 0.909971 Pb\n0.750000 0.741034 0.090030 Pb\n",
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"formula_full": "Yb8 Pb4",
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"formula_anonymous": "AB2",
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"spacegroup": 62
},
{
"id": "jvasp-116976",
"created_at": "2022-09-04T14:38:47.637376Z",
"updated_at": "2022-09-04T14:38:47.637404Z",
"structure_string": "Sr2 Ni2 F8\n1.0\n7.413553 0.038507 0.000000\n-6.337936 3.846143 0.000000\n0.000000 0.000000 5.609420\nSr Ni F\n2 2 8\ndirect\n0.652962 0.347038 0.125005 Sr\n0.347038 0.652962 0.625005 Sr\n0.912454 0.087547 0.177519 Ni\n0.087545 0.912454 0.677519 Ni\n0.834890 0.165111 0.887849 F\n0.165109 0.834890 0.387849 F\n0.964149 0.035852 0.518974 F\n0.035850 0.964148 0.018974 F\n0.419179 0.580820 0.198774 F\n0.580820 0.419180 0.698774 F\n0.794919 0.205082 0.375778 F\n0.205080 0.794918 0.875778 F\n",
"nsites": 12,
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{
"id": "jvasp-112603",
"created_at": "2022-09-04T14:38:42.422401Z",
"updated_at": "2022-09-04T14:38:42.422426Z",
"structure_string": "Ca12 Sb4 I12\n1.0\n10.362414 -0.000000 -3.663667\n-5.181207 8.974114 -3.663667\n-0.000000 -0.000000 10.991000\nCa Sb I\n12 4 12\ndirect\n0.484525 0.492262 0.242262 Ca\n0.750000 0.242263 0.257737 Ca\n0.750000 0.007737 0.492262 Ca\n0.242262 0.484525 0.492262 Ca\n0.257737 0.750000 0.242262 Ca\n0.015475 0.257737 0.007737 Ca\n0.007737 0.015475 0.257737 Ca\n0.492262 0.750000 0.007737 Ca\n0.492262 0.242263 0.484525 Ca\n0.007737 0.492262 0.750000 Ca\n0.257737 0.007737 0.015475 Ca\n0.242262 0.257737 0.750000 Ca\n0.250000 0.500000 -0.000000 Sb\n-0.000000 0.250000 0.500000 Sb\n0.500000 0.000000 0.250000 Sb\n0.250000 0.250000 0.250000 Sb\n0.250000 0.753853 0.746146 I\n0.507707 0.503853 0.753853 I\n0.992292 0.746147 0.996146 I\n0.746146 0.250000 0.753853 I\n0.996146 0.992292 0.746146 I\n0.249999 0.996146 0.503852 I\n0.753853 0.507707 0.503852 I\n0.503853 0.250000 0.996147 I\n0.753852 0.746147 0.249999 I\n0.746146 0.996146 0.992292 I\n0.996146 0.503853 0.249999 I\n0.503853 0.753853 0.507707 I\n",
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{
"id": "jvasp-114790",
"created_at": "2022-09-04T14:38:43.205497Z",
"updated_at": "2022-09-04T14:38:43.205511Z",
"structure_string": "Na1 Tl1 Cl1\n1.0\n5.442718 0.000000 0.000000\n-2.721359 4.713532 -0.000000\n0.000000 -0.000000 3.527742\nNa Tl Cl\n1 1 1\ndirect\n0.333333 0.666666 0.000000 Na\n0.666667 0.333333 0.000000 Tl\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-115560",
"created_at": "2022-09-04T14:38:42.461665Z",
"updated_at": "2022-09-04T14:38:42.461692Z",
"structure_string": "Ba1 Tl1 Cl2\n1.0\n3.782057 0.000000 0.000000\n0.000000 3.782057 0.000000\n0.000000 0.000000 9.310380\nBa Tl Cl\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.184580 Cl\n0.000000 0.000000 0.815419 Cl\n",
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{
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"created_at": "2022-09-04T14:38:42.462119Z",
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"structure_string": "Ba1 Te1 Cl1\n1.0\n0.000000 3.942556 3.942556\n3.942556 0.000000 3.942556\n3.942556 3.942556 0.000000\nBa Te Cl\n1 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 Te\n0.000000 0.000000 0.000000 Cl\n",
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