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{
"id": "jvasp-12950",
"created_at": "2022-09-04T14:36:41.109328Z",
"updated_at": "2022-09-04T14:36:41.109341Z",
"structure_string": "Na8 Sn2 Se8\n1.0\n8.168749 0.000000 0.000000\n0.000000 8.168749 0.000000\n0.000000 -0.000000 7.295263\nNa Sn Se\n8 2 8\ndirect\n0.196292 0.407355 0.029403 Na\n0.592645 0.196292 0.970597 Na\n0.407355 0.803708 0.970597 Na\n0.803708 0.592645 0.029403 Na\n0.696292 0.092645 0.470597 Na\n0.303708 0.907355 0.470597 Na\n0.907355 0.696292 0.529403 Na\n0.092645 0.303708 0.529403 Na\n0.500000 0.500000 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.254919 0.597451 0.692791 Se\n0.745082 0.402549 0.692791 Se\n0.097451 0.754919 0.192791 Se\n0.245081 0.097451 0.807208 Se\n0.754919 0.902549 0.807208 Se\n0.902549 0.245081 0.192791 Se\n0.597451 0.745082 0.307208 Se\n0.402549 0.254919 0.307208 Se\n",
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{
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"structure_string": "Na1 Sm1 Se2\n1.0\n-2.103432 -3.643252 0.000000\n-4.206864 0.000000 0.000000\n-2.103432 -1.214418 -6.917756\nNa Sm Se\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.499999 0.500000 Sm\n0.754316 0.754315 0.737050 Se\n0.245684 0.245683 0.262950 Se\n",
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},
{
"id": "jvasp-100367",
"created_at": "2022-09-04T14:36:33.855182Z",
"updated_at": "2022-09-04T14:36:33.855207Z",
"structure_string": "Na1 Sm2 Se3\n1.0\n5.377411 0.001775 -4.874189\n-0.523641 3.943221 -6.070509\n-0.002858 -0.001775 7.257704\nNa Sm Se\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.664104 0.664105 0.000000 Sm\n0.335896 0.335896 0.000000 Sm\n0.500000 -0.000000 0.500000 Se\n0.168227 0.668226 0.499999 Se\n0.831773 0.331774 0.500000 Se\n",
"nsites": 6,
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"volume": 153.78405092454847,
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"formula_full": "Na1 Sm2 Se3",
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"formula_anonymous": "AB2C3",
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"spacegroup": 71
},
{
"id": "jvasp-122112",
"created_at": "2022-09-04T14:38:55.382927Z",
"updated_at": "2022-09-04T14:38:55.382954Z",
"structure_string": "Na3 Sm2 Si2 Se6\n1.0\n7.103653 0.333612 1.319633\n-3.540861 6.167292 1.319633\n0.158500 0.289210 7.656190\nNa Sm Si Se\n3 2 2 6\ndirect\n0.000000 0.000000 0.000000 Na\n0.658377 0.341622 -0.000000 Na\n0.341622 0.658377 -0.000000 Na\n0.836469 0.163530 0.500000 Sm\n0.163530 0.836469 0.500000 Sm\n0.565046 0.565046 0.330860 Si\n0.434954 0.434954 0.669139 Si\n0.210785 0.210785 0.239099 Se\n0.789215 0.789215 0.760901 Se\n0.592285 0.924302 0.272248 Se\n0.407714 0.075697 0.727752 Se\n0.075697 0.407714 0.727752 Se\n0.924302 0.592285 0.272248 Se\n",
"nsites": 13,
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"elements": [
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],
"chemical_system": "Na-Se-Si-Sm",
"density": 4.40429442360694,
"density_atomic": 0.038327575499468754,
"volume": 339.181381305483,
"volume_molar": 15.7122924722527,
"formula_full": "Na3 Sm2 Si2 Se6",
"formula_reduced": "Na3Sm2(SiSe3)2",
"formula_anonymous": "A2B2C3D6",
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"spacegroup": 12
},
{
"id": "jvasp-89025",
"created_at": "2022-09-04T14:35:41.382962Z",
"updated_at": "2022-09-04T14:35:41.382978Z",
"structure_string": "Na8 Si8 Se20\n1.0\n9.407271 0.017164 -0.000000\n-0.142015 9.406214 -0.000000\n-0.000000 -0.000000 10.910855\nNa Si Se\n8 8 20\ndirect\n0.073313 0.417632 0.750000 Na\n0.926687 0.582368 0.250000 Na\n0.417632 0.073313 0.750000 Na\n0.582369 0.926686 0.250000 Na\n0.149015 0.850984 0.500000 Na\n0.850985 0.149015 0.000000 Na\n0.850985 0.149015 0.500000 Na\n0.149015 0.850984 0.000000 Na\n0.254294 0.254294 0.080618 Si\n0.745706 0.745705 0.580618 Si\n0.254294 0.254294 0.419382 Si\n0.745706 0.745705 0.919381 Si\n0.410366 0.682677 0.750000 Si\n0.317323 0.589634 0.250000 Si\n0.682678 0.410365 0.750000 Si\n0.589634 0.317322 0.250000 Si\n0.208594 0.496628 0.075354 Se\n0.496628 0.208594 0.075354 Se\n0.503372 0.791405 0.575354 Se\n0.208594 0.496628 0.424646 Se\n0.791406 0.503371 0.924645 Se\n0.503372 0.791405 0.924645 Se\n0.496628 0.208594 0.424646 Se\n0.791406 0.503371 0.575354 Se\n0.150254 0.150254 0.250000 Se\n0.178539 0.725607 0.750000 Se\n0.155665 0.155665 0.914719 Se\n0.844335 0.844334 0.414719 Se\n0.155665 0.155665 0.585280 Se\n0.844335 0.844334 0.085280 Se\n0.725607 0.178538 0.750000 Se\n0.274393 0.821461 0.250000 Se\n0.440960 0.440960 0.750000 Se\n0.821461 0.274392 0.250000 Se\n0.849746 0.849745 0.750000 Se\n0.559040 0.559039 0.250000 Se\n",
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"volume": 965.4932855482001,
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"formula_full": "Na8 Si8 Se20",
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"spacegroup": 63
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{
"id": "jvasp-118796",
"created_at": "2022-09-04T14:38:29.108522Z",
"updated_at": "2022-09-04T14:38:29.108542Z",
"structure_string": "Na2 Se2\n1.0\n4.622529 -0.505935 -0.482710\n1.937151 -4.260159 -0.006655\n-0.433480 -0.405433 -5.503626\nNa Se\n2 2\ndirect\n0.887826 0.180739 0.059985 Na\n0.571946 0.864849 0.564868 Na\n0.210020 0.501301 0.801822 Se\n0.260581 0.553660 0.344454 Se\n",
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"elements": [
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"volume": 104.24394904733674,
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"formula_full": "Na2 Se2",
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"formula_anonymous": "AB",
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"spacegroup": 8
},
{
"id": "jvasp-118801",
"created_at": "2022-09-04T14:38:29.176162Z",
"updated_at": "2022-09-04T14:38:29.176178Z",
"structure_string": "Na3 Se1\n1.0\n7.712992 1.187673 -0.435565\n2.154939 -4.304587 -0.273679\n-1.227421 -3.093389 -3.488567\nNa Se\n3 1\ndirect\n0.168529 0.806549 0.089317 Na\n0.519625 0.122268 0.107187 Na\n0.870708 0.437797 0.124828 Na\n0.019640 0.622152 0.607088 Se\n",
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"formula_full": "Na3 Se1",
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"formula_anonymous": "AB3",
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},
{
"id": "jvasp-118795",
"created_at": "2022-09-04T14:38:29.102165Z",
"updated_at": "2022-09-04T14:38:29.102196Z",
"structure_string": "Na2 Se1\n1.0\n4.342614 -0.332061 -0.029668\n4.028951 -4.358555 -0.803562\n-0.116222 -1.121012 -5.043565\nNa Se\n2 1\ndirect\n0.672709 0.408273 0.303360 Na\n0.917057 0.664309 0.791130 Na\n0.966585 0.114681 0.890418 Se\n",
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},
{
"id": "jvasp-78429",
"created_at": "2022-09-04T14:36:33.070501Z",
"updated_at": "2022-09-04T14:36:33.070528Z",
"structure_string": "Na1 Se1\n1.0\n-2.961881 -2.961881 0.000000\n-2.961881 0.000000 -2.961881\n0.000000 -2.961881 -2.961881\nNa Se\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Se\n",
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},
{
"id": "jvasp-7810",
"created_at": "2022-09-04T14:37:04.671184Z",
"updated_at": "2022-09-04T14:37:04.671203Z",
"structure_string": "Na4 Se4\n1.0\n2.329189 -4.034274 -0.000000\n2.329189 4.034274 -0.000000\n0.000000 -0.000000 10.750501\nNa Se\n4 4\ndirect\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.333333 0.666667 0.250000 Na\n0.666667 0.333333 0.750000 Na\n0.333333 0.666667 0.634405 Se\n0.666667 0.333333 0.134405 Se\n0.666667 0.333333 0.365595 Se\n0.333333 0.666667 0.865595 Se\n",
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},
{
"id": "jvasp-120358",
"created_at": "2022-09-04T14:38:48.327349Z",
"updated_at": "2022-09-04T14:38:48.327370Z",
"structure_string": "Na2 Se1\n1.0\n4.839598 0.000000 -1.209126\n0.000000 4.879754 0.000000\n-1.368477 0.000000 4.796338\nNa Se\n2 1\ndirect\n-0.200015 0.000000 -0.199965 Na\n0.133350 0.000000 0.466614 Na\n0.466665 0.000000 0.133351 Se\n",
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{
"id": "jvasp-120355",
"created_at": "2022-09-04T14:38:48.313242Z",
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"structure_string": "Na2 Se1\n1.0\n4.989955 0.000000 0.000000\n-2.494977 4.321427 0.000000\n-0.000000 0.000000 4.880693\nNa Se\n2 1\ndirect\n0.333333 0.666667 0.000000 Na\n0.666666 0.333333 0.000000 Na\n0.000000 0.000000 0.000000 Se\n",
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