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{
"id": "jvasp-5179",
"created_at": "2022-09-04T14:36:18.034840Z",
"updated_at": "2022-09-04T14:36:18.034867Z",
"structure_string": "Bi2 Pt2\n1.0\n1.930041 -3.342930 0.000000\n1.930041 3.342930 0.000000\n0.000000 0.000000 7.424870\nBi Pt\n2 2\ndirect\n0.000000 0.000000 0.500000 Bi\n0.000000 0.000000 0.000000 Bi\n0.666667 0.333333 0.750000 Pt\n0.333333 0.666667 0.250000 Pt\n",
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{
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{
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"structure_string": "Be1 In2 Sb1\n1.0\n4.777547 -0.000000 -0.000000\n0.000000 4.777547 0.000000\n-0.000000 0.000000 4.197570\nBe In Sb\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.000000 0.000000 In\n0.000000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 Sb\n",
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{
"id": "jvasp-114989",
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"structure_string": "Ge2 Cl2\n1.0\n3.324132 -0.224788 0.514790\n-0.542136 -5.570156 0.808958\n-0.396808 3.583827 -5.767946\nGe Cl\n2 2\ndirect\n0.876354 0.037065 0.024026 Ge\n0.282397 0.212918 0.814169 Ge\n0.694294 0.527127 0.629902 Cl\n0.464331 0.722932 0.208178 Cl\n",
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"formula_full": "Ge2 Cl2",
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"spacegroup": 2
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{
"id": "jvasp-39212",
"created_at": "2022-09-04T14:37:46.348347Z",
"updated_at": "2022-09-04T14:37:46.348367Z",
"structure_string": "Lu6 Ga2\n1.0\n3.268449 -5.661120 0.000000\n3.268449 5.661120 0.000000\n-0.000000 0.000000 5.177325\nLu Ga\n6 2\ndirect\n0.655337 0.827668 0.250000 Lu\n0.172332 0.827668 0.250000 Lu\n0.172332 0.344664 0.250000 Lu\n0.344664 0.172332 0.749999 Lu\n0.827668 0.172332 0.749999 Lu\n0.827668 0.655337 0.749999 Lu\n0.333333 0.666667 0.749999 Ga\n0.666667 0.333333 0.250000 Ga\n",
"nsites": 8,
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"elements": [
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"volume": 191.59293806112137,
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"formula_full": "Lu6 Ga2",
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{
"id": "jvasp-115970",
"created_at": "2022-09-04T14:38:41.293671Z",
"updated_at": "2022-09-04T14:38:41.293700Z",
"structure_string": "Cu1 P1 I1\n1.0\n4.914314 0.000000 0.000000\n-2.457157 4.255921 -0.000000\n-0.000000 -0.000000 3.435186\nCu P I\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Cu\n0.666665 0.333333 0.000000 P\n0.333331 0.666666 0.000000 I\n",
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{
"id": "jvasp-118395",
"created_at": "2022-09-04T14:38:50.165917Z",
"updated_at": "2022-09-04T14:38:50.165927Z",
"structure_string": "Ge1 Pb1 S3\n1.0\n4.542310 -0.000000 -0.000000\n0.000000 4.542310 -0.000000\n0.000000 0.000000 5.803407\nGe Pb S\n1 1 3\ndirect\n0.499999 0.499999 0.619386 Ge\n0.000000 0.000000 0.139148 Pb\n0.000000 0.499999 0.467720 S\n0.499999 0.000000 0.467720 S\n0.499999 0.499999 -0.003770 S\n",
"nsites": 5,
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"formula_full": "Ge1 Pb1 S3",
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},
{
"id": "jvasp-11440",
"created_at": "2022-09-04T14:37:19.470362Z",
"updated_at": "2022-09-04T14:37:19.470390Z",
"structure_string": "Ba2 Pr4 Zn2 S10\n1.0\n7.093634 0.000000 -3.547174\n-1.773766 6.868289 -3.547174\n-0.005708 -0.007370 8.855091\nBa Pr Zn S\n2 4 2 10\ndirect\n0.250000 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.338682 0.161318 0.000000 Pr\n0.161317 0.661318 0.000000 Pr\n0.661317 0.838683 0.000000 Pr\n0.838682 0.338683 0.000000 Pr\n0.249999 0.750000 0.500000 Zn\n0.749999 0.250000 0.500000 Zn\n0.499999 0.500000 0.000000 S\n0.485026 0.985027 0.270102 S\n0.985026 0.785074 0.270102 S\n0.285073 0.485027 0.270102 S\n0.014973 0.214926 0.729898 S\n0.714925 0.514973 0.729899 S\n0.514973 0.014973 0.729899 S\n0.214926 0.714926 0.729899 S\n0.785073 0.285074 0.270102 S\n0.000000 0.000000 0.000000 S\n",
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"formula_full": "Ba2 Pr4 Zn2 S10",
"formula_reduced": "BaPr2ZnS5",
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{
"id": "jvasp-117826",
"created_at": "2022-09-04T14:38:28.825215Z",
"updated_at": "2022-09-04T14:38:28.825238Z",
"structure_string": "Br2 O1\n1.0\n4.014662 0.863785 -0.563438\n-1.566409 -4.009490 0.643756\n-0.455236 3.552678 -5.230236\nBr O\n2 1\ndirect\n0.328530 0.543823 0.642600 Br\n0.924009 0.296376 0.131974 Br\n-0.081567 0.014141 0.269057 O\n",
"nsites": 3,
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"volume": 71.84208486684888,
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"formula_full": "Br2 O1",
"formula_reduced": "Br2O",
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"spacegroup": 1
},
{
"id": "jvasp-38040",
"created_at": "2022-09-04T14:37:54.008760Z",
"updated_at": "2022-09-04T14:37:54.008791Z",
"structure_string": "Ca6 In2 N1 F1\n1.0\n0.000002 4.928797 4.928806\n4.928797 0.000003 4.928805\n4.928802 4.928801 -0.000001\nCa In N F\n6 2 1 1\ndirect\n0.240744 0.759256 0.759256 Ca\n0.240744 0.759256 0.240745 Ca\n0.759256 0.240744 0.759255 Ca\n0.759255 0.759255 0.240746 Ca\n0.240745 0.240745 0.759255 Ca\n0.759255 0.240745 0.240744 Ca\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 N\n0.500000 0.500000 0.500000 F\n",
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"N",
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"density_atomic": 0.04175862987313465,
"volume": 239.4714584836866,
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"formula_full": "Ca6 In2 N1 F1",
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{
"id": "jvasp-16055",
"created_at": "2022-09-04T14:36:21.975527Z",
"updated_at": "2022-09-04T14:36:21.975537Z",
"structure_string": "Sr2 As2 Pt2\n1.0\n2.156723 -3.735554 -0.000000\n2.156723 3.735554 -0.000000\n-0.000000 -0.000000 8.917113\nSr As Pt\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sr\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.750000 As\n0.666666 0.333332 0.250000 As\n0.333332 0.666666 0.250000 Pt\n0.666666 0.333332 0.750000 Pt\n",
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{
"id": "jvasp-92240",
"created_at": "2022-09-04T14:35:49.643541Z",
"updated_at": "2022-09-04T14:35:49.643557Z",
"structure_string": "Na2 Bi2 S4\n1.0\n6.632277 0.000114 4.689283\n3.269804 4.049114 9.445778\n-0.046286 -0.000080 7.100991\nNa Bi S\n2 2 4\ndirect\n0.000499 0.999156 0.998752 Na\n0.750396 0.499111 0.998794 Na\n0.237334 0.499108 -0.001200 Bi\n0.487355 0.999135 -0.001212 Bi\n0.022285 0.484968 0.500831 S\n0.495964 0.513405 0.496589 S\n0.258025 0.013339 0.472473 S\n0.760159 0.984871 0.525114 S\n",
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