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{
"id": "jvasp-120363",
"created_at": "2022-09-04T14:38:48.385491Z",
"updated_at": "2022-09-04T14:38:48.385517Z",
"structure_string": "Na1 Se2\n1.0\n4.735678 0.047814 0.718733\n-0.022725 -3.827136 0.399754\n-0.206584 -0.445266 -4.264554\nNa Se\n1 2\ndirect\n0.105258 0.895290 0.059732 Na\n0.367626 0.395391 0.667767 Se\n0.843624 0.395199 0.452124 Se\n",
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{
"id": "jvasp-120355",
"created_at": "2022-09-04T14:38:48.313242Z",
"updated_at": "2022-09-04T14:38:48.313271Z",
"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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{
"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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"volume": 105.1962077636663,
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"formula_full": "Na2 Se1",
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"formula_anonymous": "AB2",
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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",
"nsites": 8,
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"volume": 202.03602779119603,
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"formula_full": "Na4 Se4",
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"energy_above_hull": 0.0703008416666667,
"spacegroup": 194
},
{
"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",
"nsites": 2,
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"elements": [
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"volume": 51.967618268649915,
"volume_molar": 15.647815608787862,
"formula_full": "Na1 Se1",
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"spacegroup": 225
},
{
"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",
"nsites": 4,
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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",
"energy_above_hull": 0.0747408416666667,
"spacegroup": 8
},
{
"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",
"nsites": 3,
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"density": 2.443064693373053,
"density_atomic": 0.035327038127240265,
"volume": 84.92079039274836,
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"formula_full": "Na2 Se1",
"formula_reduced": "Na2Se",
"formula_anonymous": "AB2",
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"spacegroup": 38
},
{
"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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"volume": 123.82728376116084,
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"formula_full": "Na3 Se1",
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"formula_anonymous": "AB3",
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"spacegroup": 164
},
{
"id": "jvasp-10193",
"created_at": "2022-09-04T14:37:52.673439Z",
"updated_at": "2022-09-04T14:37:52.673457Z",
"structure_string": "Na8 Sb8\n1.0\n0.000000 6.778418 -0.023924\n6.357386 0.000000 0.000000\n0.000000 -5.720148 -11.071818\nNa Sb\n8 8\ndirect\n0.232318 0.164014 0.541947 Na\n0.767682 0.664014 0.958053 Na\n0.767682 0.835987 0.458053 Na\n0.232318 0.335986 0.041947 Na\n0.230840 0.903442 0.825750 Na\n0.769160 0.403441 0.674250 Na\n0.769160 0.096559 0.174250 Na\n0.230840 0.596559 0.325750 Na\n0.288306 0.663081 0.601535 Sb\n0.711694 0.163081 0.898465 Sb\n0.711694 0.336920 0.398465 Sb\n0.288306 0.836920 0.101535 Sb\n0.303482 0.406079 0.798045 Sb\n0.696518 0.906079 0.701955 Sb\n0.696518 0.593922 0.201954 Sb\n0.303482 0.093921 0.298045 Sb\n",
"nsites": 16,
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"elements": [
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"density": 4.022906191914923,
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"volume": 477.98807191447384,
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"formula_full": "Na8 Sb8",
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"spacegroup": 14
},
{
"id": "jvasp-2703",
"created_at": "2022-09-04T14:36:51.776810Z",
"updated_at": "2022-09-04T14:36:51.776826Z",
"structure_string": "Na6 Sb2\n1.0\n2.668617 -4.622181 0.000000\n2.668617 4.622181 0.000000\n0.000000 0.000000 9.491715\nNa Sb\n6 2\ndirect\n0.333334 0.666668 0.082540 Na\n0.666668 0.333334 0.582539 Na\n0.000000 0.000000 0.750000 Na\n0.000000 0.000000 0.250000 Na\n0.333334 0.666668 0.417460 Na\n0.666668 0.333334 0.917460 Na\n0.666668 0.333334 0.250000 Sb\n0.333334 0.666668 0.750000 Sb\n",
"nsites": 8,
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"formula_full": "Na6 Sb2",
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},
{
"id": "jvasp-1171",
"created_at": "2022-09-04T14:36:55.506180Z",
"updated_at": "2022-09-04T14:36:55.506199Z",
"structure_string": "Na2 S1\n1.0\n3.993387 0.000000 2.305583\n1.331129 3.765001 2.305583\n0.000000 0.000000 4.611166\nNa S\n2 1\ndirect\n0.250000 0.250000 0.250000 Na\n0.750001 0.750000 0.749999 Na\n0.000000 0.000000 0.000000 S\n",
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},
{
"id": "jvasp-78393",
"created_at": "2022-09-04T14:37:56.870115Z",
"updated_at": "2022-09-04T14:37:56.870140Z",
"structure_string": "Na1 S1\n1.0\n3.294134 -0.510526 0.598282\n0.404154 3.308870 0.598282\n-0.674709 -0.510526 3.279334\nNa S\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.499999 0.499999 0.499999 S\n",
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}