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{
"id": "jvasp-99692",
"created_at": "2022-09-04T14:36:38.353931Z",
"updated_at": "2022-09-04T14:36:38.353947Z",
"structure_string": "Na3 Dy1 Cl6\n1.0\n6.424219 0.000000 3.709024\n2.141406 6.056812 3.709024\n0.000000 0.000000 7.418050\nNa Dy Cl\n3 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Na\n0.000000 0.000000 0.000000 Dy\n0.751868 0.248132 0.248132 Cl\n0.248133 0.248132 0.751867 Cl\n0.248133 0.751867 0.751867 Cl\n0.248133 0.751867 0.248132 Cl\n0.751868 0.248132 0.751867 Cl\n0.751868 0.751867 0.248131 Cl\n",
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{
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"structure_string": "Rb1 Pb1 Br3\n1.0\n5.925411 0.002075 0.087697\n0.003986 5.892528 -0.001785\n0.100657 0.004813 5.942322\nRb Pb Br\n1 1 3\ndirect\n-0.071873 -0.000538 0.952137 Rb\n0.515058 0.500095 0.500526 Pb\n0.563979 0.000128 0.479155 Br\n0.021184 0.499652 0.554846 Br\n0.531651 0.500661 0.003335 Br\n",
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{
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"structure_string": "Sr6 Nd2\n1.0\n8.064305 -0.000000 0.000000\n-4.032152 6.983894 0.000000\n-0.000000 -0.000000 6.511591\nSr Nd\n6 2\ndirect\n0.828416 0.171584 0.750000 Sr\n0.343169 0.171584 0.750000 Sr\n0.828416 0.656831 0.750000 Sr\n0.171584 0.828415 0.250000 Sr\n0.656832 0.828415 0.250000 Sr\n0.171584 0.343168 0.250000 Sr\n0.666667 0.333333 0.250000 Nd\n0.333334 0.666666 0.750000 Nd\n",
"nsites": 8,
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"elements": [
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"volume": 366.7344415067158,
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"formula_full": "Sr6 Nd2",
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{
"id": "jvasp-64664",
"created_at": "2022-09-04T14:35:40.831369Z",
"updated_at": "2022-09-04T14:35:40.831393Z",
"structure_string": "Ba4 Na1 Bi1\n1.0\n0.000000 5.185871 5.185871\n5.185871 0.000000 5.185871\n5.185871 5.185871 -0.000000\nBa Na Bi\n4 1 1\ndirect\n0.131100 0.622967 0.622967 Ba\n0.622967 0.622967 0.622967 Ba\n0.622967 0.131100 0.622967 Ba\n0.622967 0.622967 0.131100 Ba\n0.000000 0.000000 0.000000 Na\n0.250000 0.250000 0.250000 Bi\n",
"nsites": 6,
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"elements": [
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"spacegroup": 216
},
{
"id": "jvasp-106625",
"created_at": "2022-09-04T14:36:50.949721Z",
"updated_at": "2022-09-04T14:36:50.949751Z",
"structure_string": "Yb3 P1\n1.0\n4.577449 -0.000000 0.000000\n0.000000 4.577449 0.000000\n-0.000000 -0.000000 4.577449\nYb P\n3 1\ndirect\n-0.000000 0.500000 0.500000 Yb\n0.500000 0.000000 0.500000 Yb\n0.500000 0.500000 -0.000000 Yb\n0.000000 0.000000 0.000000 P\n",
"nsites": 4,
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"elements": [
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"volume": 95.91146900863683,
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},
{
"id": "jvasp-94152",
"created_at": "2022-09-04T14:36:07.036737Z",
"updated_at": "2022-09-04T14:36:07.036765Z",
"structure_string": "Mg6 Nb1 Cu1\n1.0\n6.254646 0.164619 0.000000\n-2.984760 5.169754 0.000000\n0.000000 0.000000 4.789793\nMg Nb Cu\n6 1 1\ndirect\n0.646485 0.323630 0.250000 Mg\n0.646485 0.822852 0.250000 Mg\n0.332291 0.160550 0.749999 Mg\n0.332291 0.671740 0.749999 Mg\n0.876720 0.188360 0.749999 Mg\n0.843362 0.671681 0.749999 Mg\n0.143465 0.821732 0.250000 Nb\n0.178903 0.339451 0.250000 Cu\n",
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"formula_full": "Mg6 Nb1 Cu1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-118802",
"created_at": "2022-09-04T14:38:50.219641Z",
"updated_at": "2022-09-04T14:38:50.219672Z",
"structure_string": "Na3 Se1\n1.0\n3.977003 -0.414576 0.353239\n-0.852463 -7.895594 0.342584\n0.218686 -1.381194 -4.083933\nNa Se\n3 1\ndirect\n0.898825 0.894302 0.010774 Na\n0.398742 0.262558 0.326989 Na\n0.398610 0.583252 0.666661 Na\n0.898651 0.528600 0.193957 Se\n",
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"density": 1.853084421183092,
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"volume": 132.55866379071307,
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"formula_full": "Na3 Se1",
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"spacegroup": 38
},
{
"id": "jvasp-12480",
"created_at": "2022-09-04T14:38:11.053355Z",
"updated_at": "2022-09-04T14:38:11.053378Z",
"structure_string": "Rb2 Pb4 Br10\n1.0\n7.565556 0.000000 -3.796652\n-1.905289 7.321716 -3.796652\n-0.041312 -0.053439 9.353913\nRb Pb Br\n2 4 10\ndirect\n0.250000 0.250000 0.500000 Rb\n0.750001 0.750000 0.500001 Rb\n0.336743 0.163257 0.000000 Pb\n0.163257 0.663257 0.000000 Pb\n0.663257 0.836744 0.000001 Pb\n0.836744 0.336743 0.000001 Pb\n0.208721 0.708721 0.724519 Br\n0.484203 0.984204 0.275482 Br\n0.000000 0.000000 0.000000 Br\n0.500000 0.500000 0.000000 Br\n0.791279 0.291279 0.275481 Br\n0.984204 0.791279 0.275482 Br\n0.291279 0.484203 0.275481 Br\n0.015797 0.208721 0.724519 Br\n0.515797 0.015797 0.724519 Br\n0.708722 0.515797 0.724520 Br\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Br-Pb-Rb",
"density": 5.799089768936765,
"density_atomic": 0.031063739028242724,
"volume": 515.0699980273791,
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"formula_full": "Rb2 Pb4 Br10",
"formula_reduced": "RbPb2Br5",
"formula_anonymous": "AB2C5",
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"spacegroup": 140
},
{
"id": "jvasp-69208",
"created_at": "2022-09-04T14:35:49.108224Z",
"updated_at": "2022-09-04T14:35:49.108251Z",
"structure_string": "Ba1 Na1 Hg2\n1.0\n5.595588 0.000000 0.000000\n0.000000 5.595588 -0.000000\n0.000000 -0.000000 4.114227\nBa Na Hg\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Na\n0.500000 0.000000 0.000000 Hg\n0.000000 0.500000 0.000000 Hg\n",
"nsites": 4,
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],
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"density": 7.2379678384117705,
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"formula_full": "Ba1 Na1 Hg2",
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"spacegroup": 123
},
{
"id": "jvasp-122670",
"created_at": "2022-09-04T14:38:52.109996Z",
"updated_at": "2022-09-04T14:38:52.110022Z",
"structure_string": "Ho1 Ga3\n1.0\n5.420489 -0.833908 -0.891932\n-3.353450 4.339524 0.891932\n-0.826235 0.487178 4.031964\nHo Ga\n1 3\ndirect\n0.101042 0.898958 0.850999 Ho\n0.366283 0.633717 0.617608 Ga\n0.864591 0.135408 0.113937 Ga\n0.668084 0.331916 0.417454 Ga\n",
"nsites": 4,
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"elements": [
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},
{
"id": "jvasp-52271",
"created_at": "2022-09-04T14:38:13.784033Z",
"updated_at": "2022-09-04T14:38:13.784063Z",
"structure_string": "Li2 Ag2 F4\n1.0\n0.000000 3.046636 -0.017060\n6.806016 0.000000 0.000000\n0.000000 -3.011988 -4.962787\nLi Ag F\n2 2 4\ndirect\n0.538959 0.065013 0.936085 Li\n0.538959 0.934987 0.436084 Li\n0.845902 0.392886 0.372076 Ag\n0.845902 0.607115 0.872076 Ag\n0.918235 0.064248 0.314322 F\n0.430889 0.327713 0.856366 F\n0.918235 0.935752 0.814322 F\n0.430889 0.672288 0.356366 F\n",
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"volume": 103.25536221806125,
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{
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"created_at": "2022-09-04T14:37:03.827490Z",
"updated_at": "2022-09-04T14:37:03.827515Z",
"structure_string": "Cu2 Br2\n1.0\n2.075312 -3.594545 0.000000\n2.075312 3.594545 0.000000\n0.000000 -0.000000 5.957572\nCu Br\n2 2\ndirect\n0.000000 0.000000 0.750000 Cu\n0.000000 0.000000 0.250000 Cu\n0.666666 0.333333 0.750000 Br\n0.333333 0.666666 0.250000 Br\n",
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}