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{
"id": "jvasp-121279",
"created_at": "2022-09-04T14:38:54.451288Z",
"updated_at": "2022-09-04T14:38:54.451314Z",
"structure_string": "As2 Br1\n1.0\n5.419127 0.000000 0.000000\n0.000000 2.952405 0.000000\n0.000000 0.000000 5.708470\nAs Br\n2 1\ndirect\n-0.033318 0.000000 0.788194 As\n-0.033318 0.000000 0.211807 As\n0.466636 0.000000 0.000000 Br\n",
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{
"id": "jvasp-123694",
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"structure_string": "Pm1 Se2\n1.0\n2.215073 -3.749966 -0.605931\n2.140031 3.706641 -0.000000\n-0.730409 0.421702 5.884425\nPm Se\n1 2\ndirect\n-0.000000 0.333306 0.166667 Pm\n0.769925 0.718308 0.432891 Se\n0.230074 -0.051617 0.900442 Se\n",
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{
"id": "jvasp-123668",
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"updated_at": "2022-09-04T14:38:55.114189Z",
"structure_string": "Hf1 Se2\n1.0\n1.877209 -3.260221 0.016550\n1.884831 3.264622 0.000000\n-0.023701 0.013684 6.218069\nHf Se\n1 2\ndirect\n0.000000 0.333342 0.166667 Hf\n0.666622 0.666640 0.420260 Se\n0.333379 0.000018 0.913073 Se\n",
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"spacegroup": 164
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{
"id": "jvasp-120842",
"created_at": "2022-09-04T14:38:50.673125Z",
"updated_at": "2022-09-04T14:38:50.673153Z",
"structure_string": "B2 Se1\n1.0\n5.367855 0.000000 0.000000\n0.000000 2.699622 0.000000\n0.000000 0.000000 3.217812\nB Se\n2 1\ndirect\n-0.070094 0.000000 0.753344 B\n-0.070094 0.000000 0.246656 B\n0.540187 0.000000 0.000000 Se\n",
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"volume": 46.629891130969824,
"volume_molar": 9.360392267139197,
"formula_full": "B2 Se1",
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"spacegroup": 25
},
{
"id": "jvasp-123647",
"created_at": "2022-09-04T14:38:54.691124Z",
"updated_at": "2022-09-04T14:38:54.691148Z",
"structure_string": "Bi1 Se2\n1.0\n2.105397 -3.647909 -0.281014\n2.106485 3.648537 -0.000000\n-0.347144 0.200424 5.595064\nBi Se\n1 2\ndirect\n0.000001 0.333294 0.166667 Bi\n0.724098 0.695403 0.474318 Se\n0.275905 -0.028694 0.859015 Se\n",
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"elements": [
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"density": 7.125881114945888,
"density_atomic": 0.0350883175336356,
"volume": 85.49854227476725,
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"formula_full": "Bi1 Se2",
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"spacegroup": 12
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{
"id": "jvasp-123713",
"created_at": "2022-09-04T14:38:54.959032Z",
"updated_at": "2022-09-04T14:38:54.959059Z",
"structure_string": "Tb1 Se2\n1.0\n2.163166 -3.650308 -0.594873\n2.079678 3.602107 -0.000000\n-0.720240 0.415831 5.878764\nTb Se\n1 2\ndirect\n-0.000000 0.333351 0.166667 Tb\n0.771527 0.719089 0.429461 Se\n0.228474 -0.052438 0.903872 Se\n",
"nsites": 3,
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"elements": [
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"density": 5.953242837821644,
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"volume": 88.377728924975,
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{
"id": "jvasp-118102",
"created_at": "2022-09-04T14:38:50.661145Z",
"updated_at": "2022-09-04T14:38:50.661172Z",
"structure_string": "Cl2 O1\n1.0\n4.074499 0.000000 0.007401\n0.000000 3.172798 0.000000\n-0.007528 0.000000 4.887110\nCl O\n2 1\ndirect\n0.057161 0.000000 -0.033229 Cl\n-0.087305 0.000000 0.466656 Cl\n0.430144 0.000000 -0.033427 O\n",
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{
"id": "jvasp-123707",
"created_at": "2022-09-04T14:38:54.970748Z",
"updated_at": "2022-09-04T14:38:54.970764Z",
"structure_string": "Sc1 Se2\n1.0\n2.034582 -3.412139 -0.575863\n1.937709 3.356209 -0.000000\n-0.711156 0.410586 5.788528\nSc Se\n1 2\ndirect\n-0.000000 0.333323 0.166667 Sc\n0.777354 0.722016 0.421941 Se\n0.222643 -0.055340 0.911393 Se\n",
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"volume": 75.96644269444859,
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{
"id": "jvasp-123670",
"created_at": "2022-09-04T14:38:54.816420Z",
"updated_at": "2022-09-04T14:38:54.816449Z",
"structure_string": "Ho1 Se2\n1.0\n2.142258 -3.611238 -0.595530\n2.056296 3.561608 -0.000000\n-0.722302 0.417021 5.884745\nHo Se\n1 2\ndirect\n0.000000 0.333345 0.166667 Ho\n0.773397 0.720026 0.427863 Se\n0.226606 -0.053370 0.905472 Se\n",
"nsites": 3,
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{
"id": "jvasp-117844",
"created_at": "2022-09-04T14:38:50.430164Z",
"updated_at": "2022-09-04T14:38:50.430191Z",
"structure_string": "P2 Br1\n1.0\n3.463862 0.028744 -0.619293\n1.843688 -2.997070 0.008738\n1.489235 1.896562 -6.394541\nP Br\n2 1\ndirect\n0.705517 0.976541 0.621448 P\n0.279904 0.144135 0.417902 P\n-0.007347 0.060361 0.019770 Br\n",
"nsites": 3,
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"spacegroup": 12
},
{
"id": "jvasp-118876",
"created_at": "2022-09-04T14:38:50.417485Z",
"updated_at": "2022-09-04T14:38:50.417515Z",
"structure_string": "As1 I2\n1.0\n3.600617 0.000000 1.281849\n0.000000 3.055428 0.000000\n1.809174 0.000000 10.520825\nAs I\n1 2\ndirect\n0.466575 0.000000 0.133335 As\n-0.071789 0.000000 -0.174303 I\n0.005215 0.000000 0.440967 I\n",
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{
"id": "jvasp-123687",
"created_at": "2022-09-04T14:38:54.528649Z",
"updated_at": "2022-09-04T14:38:54.528677Z",
"structure_string": "Ni1 Se2\n1.0\n1.802576 -3.121064 -0.021120\n1.801634 3.120520 0.000000\n0.042466 -0.024517 4.911743\nNi Se\n1 2\ndirect\n-0.000000 0.333346 0.166667 Ni\n0.664586 0.665621 0.417751 Se\n0.335416 0.001035 0.915582 Se\n",
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}