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{
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{
"id": "jvasp-116012",
"created_at": "2022-09-04T14:38:40.697832Z",
"updated_at": "2022-09-04T14:38:40.697856Z",
"structure_string": "Li1 Mn1 F4\n1.0\n3.137586 -3.276753 0.000000\n3.137586 3.276753 0.000000\n0.000000 0.000000 3.094690\nLi Mn F\n1 1 4\ndirect\n0.000000 0.000000 0.499999 Li\n0.500001 0.500001 0.000000 Mn\n0.791117 0.791117 0.000000 F\n0.697101 0.302902 0.499999 F\n0.208886 0.208886 0.000000 F\n0.302902 0.697101 0.499999 F\n",
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{
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"structure_string": "Li2 Dy4 Cl10\n1.0\n5.816225 -0.000000 -2.480626\n-0.236888 7.276995 -0.555422\n0.033158 0.095719 8.136593\nLi Dy Cl\n2 4 10\ndirect\n0.000000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.889395 0.571748 0.157519 Dy\n0.268124 0.071749 0.157519 Dy\n0.110605 0.428251 0.842481 Dy\n0.731877 0.928251 0.842481 Dy\n0.493371 0.407221 0.181852 Cl\n0.876570 0.250000 -0.000000 Cl\n0.123430 0.750000 0.000000 Cl\n0.148474 0.325561 0.416823 Cl\n0.851527 0.674438 0.583177 Cl\n0.268350 0.825561 0.416823 Cl\n0.731651 0.174439 0.583177 Cl\n0.506629 0.592779 0.818147 Cl\n0.688481 0.907220 0.181852 Cl\n0.311520 0.092779 0.818147 Cl\n",
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"formula_full": "Li2 Dy4 Cl10",
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"spacegroup": 15
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{
"id": "jvasp-63940",
"created_at": "2022-09-04T14:36:07.038160Z",
"updated_at": "2022-09-04T14:36:07.038190Z",
"structure_string": "Ba4 P1 Br1\n1.0\n0.000000 4.876253 4.876253\n4.876253 0.000000 4.876253\n4.876253 4.876253 0.000000\nBa P Br\n4 1 1\ndirect\n0.121961 0.626013 0.626013 Ba\n0.626013 0.626013 0.626013 Ba\n0.626013 0.121961 0.626013 Ba\n0.626013 0.626013 0.121961 Ba\n0.000000 0.000000 0.000000 P\n0.250000 0.250000 0.250000 Br\n",
"nsites": 6,
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"elements": [
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"density": 4.72744586218874,
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"volume": 231.8935596454477,
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"formula_full": "Ba4 P1 Br1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-103286",
"created_at": "2022-09-04T14:36:34.042407Z",
"updated_at": "2022-09-04T14:36:34.042427Z",
"structure_string": "Nd1 Ho1 Tl2\n1.0\n4.681596 -0.000000 2.702920\n1.560532 4.413851 2.702920\n0.000000 0.000000 5.405841\nNd Ho Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.500000 0.500000 0.500000 Ho\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.750000 Tl\n",
"nsites": 4,
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"elements": [
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"density_atomic": 0.0358084169452768,
"volume": 111.70558045369297,
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"formula_full": "Nd1 Ho1 Tl2",
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"spacegroup": 225
},
{
"id": "jvasp-38363",
"created_at": "2022-09-04T14:37:49.965136Z",
"updated_at": "2022-09-04T14:37:49.965158Z",
"structure_string": "Nd1 Dy1 Tl2\n1.0\n0.000000 3.828538 3.828538\n3.828538 0.000000 3.828538\n3.828538 3.828538 -0.000000\nNd Dy Tl\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Nd\n0.250001 0.250001 0.250001 Dy\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"density": 10.58607761496095,
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"volume": 112.23514752141324,
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"formula_full": "Nd1 Dy1 Tl2",
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{
"id": "jvasp-67071",
"created_at": "2022-09-04T14:36:09.099384Z",
"updated_at": "2022-09-04T14:36:09.099413Z",
"structure_string": "Na1 Be1 Ga1\n1.0\n1.486626 -2.574913 0.000000\n1.486626 2.574913 -0.000000\n0.000000 0.000000 6.919382\nNa Be Ga\n1 1 1\ndirect\n0.333334 0.666668 0.670410 Na\n0.000000 0.000000 0.032506 Be\n0.666668 0.333334 0.297083 Ga\n",
"nsites": 3,
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"volume": 52.973856046655584,
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"formula_full": "Na1 Be1 Ga1",
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"spacegroup": 156
},
{
"id": "jvasp-9172",
"created_at": "2022-09-04T14:37:09.550757Z",
"updated_at": "2022-09-04T14:37:09.550774Z",
"structure_string": "K8 As8\n1.0\n6.479948 0.000000 0.000000\n0.000000 6.649282 0.000000\n0.000000 0.000000 11.573458\nK As\n8 8\ndirect\n0.329841 0.343565 0.714457 K\n0.829842 0.156435 0.285543 K\n0.670159 0.843565 0.785543 K\n0.170159 0.656434 0.214457 K\n0.596986 0.606012 0.417631 K\n0.096985 0.893988 0.582369 K\n0.403015 0.106012 0.082369 K\n0.903015 0.393988 0.917631 K\n0.093154 0.439897 0.467391 As\n0.593155 0.060103 0.532609 As\n0.906846 0.939897 0.032609 As\n0.406846 0.560103 0.967391 As\n0.828509 0.324687 0.616137 As\n0.328509 0.175313 0.383863 As\n0.171491 0.824687 0.883863 As\n0.671492 0.675313 0.116137 As\n",
"nsites": 16,
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"elements": [
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"chemical_system": "As-K",
"density": 3.0374583216401163,
"density_atomic": 0.032085629915254196,
"volume": 498.6656033327012,
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"formula_full": "K8 As8",
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"spacegroup": 19
},
{
"id": "jvasp-29551",
"created_at": "2022-09-04T14:36:41.480391Z",
"updated_at": "2022-09-04T14:36:41.480420Z",
"structure_string": "Hg6 As2 Se8 Br2\n1.0\n7.880810 -0.000000 0.000000\n-3.940405 6.824982 -0.000000\n0.000000 -0.000000 9.480667\nHg As Se Br\n6 2 8 2\ndirect\n0.497176 0.502824 0.243849 Hg\n0.502824 0.005648 0.743849 Hg\n0.502825 0.497175 0.743849 Hg\n0.005648 0.502824 0.243849 Hg\n0.497176 0.994352 0.243849 Hg\n0.994352 0.497175 0.743849 Hg\n0.000000 0.000000 0.222949 As\n0.000000 0.000000 0.722950 As\n0.298608 0.149304 0.367885 Se\n0.666667 0.333333 0.600011 Se\n0.850696 0.149304 0.367885 Se\n0.701393 0.850696 0.867886 Se\n0.850696 0.701392 0.367885 Se\n0.149304 0.850696 0.867886 Se\n0.333333 0.666667 0.100011 Se\n0.149304 0.298608 0.867886 Se\n0.333333 0.666667 0.525936 Br\n0.666667 0.333333 0.025936 Br\n",
"nsites": 18,
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"elements": [
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"Se",
"Br"
],
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"density": 6.984560043977448,
"density_atomic": 0.0352989059403061,
"volume": 509.9308185483074,
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"formula_full": "Hg6 As2 Se8 Br2",
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"formula_anonymous": "ABC3D4",
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"spacegroup": 186
},
{
"id": "jvasp-12798",
"created_at": "2022-09-04T14:37:56.402555Z",
"updated_at": "2022-09-04T14:37:56.402577Z",
"structure_string": "Na12 Ga4 S12\n1.0\n6.907935 0.000000 0.000000\n0.000000 7.166408 -0.099427\n0.000000 -0.028362 12.704434\nNa Ga S\n12 4 12\ndirect\n0.463462 0.724229 0.790189 Na\n0.963462 0.775772 0.709810 Na\n0.536539 0.275772 0.209811 Na\n0.036539 0.224229 0.290189 Na\n0.503351 0.338226 0.610369 Na\n0.003350 0.161775 0.889631 Na\n0.496650 0.661775 0.389631 Na\n0.996651 0.838226 0.110369 Na\n0.502650 0.209742 0.898813 Na\n0.002650 0.290258 0.601186 Na\n0.497351 0.790258 0.101186 Na\n0.997351 0.709742 0.398814 Na\n0.357738 0.913899 0.583693 Ga\n0.642263 0.086102 0.416306 Ga\n0.142262 0.413899 0.083693 Ga\n0.857738 0.586102 0.916306 Ga\n0.742975 0.879885 0.926548 S\n0.699310 0.924157 0.570023 S\n0.199310 0.575844 0.929976 S\n0.300691 0.075844 0.429976 S\n0.800691 0.424156 0.070024 S\n0.257429 0.071742 0.728706 S\n0.757430 0.428258 0.771294 S\n0.742571 0.928258 0.271294 S\n0.242571 0.571742 0.228706 S\n0.257026 0.120116 0.073451 S\n0.757026 0.379884 0.426549 S\n0.242975 0.620116 0.573451 S\n",
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"formula_full": "Na12 Ga4 S12",
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"spacegroup": 14
},
{
"id": "jvasp-16469",
"created_at": "2022-09-04T14:38:14.247765Z",
"updated_at": "2022-09-04T14:38:14.247787Z",
"structure_string": "Zr1 Cd1 Cu2\n1.0\n3.919103 -0.000000 2.262695\n1.306368 3.694965 2.262695\n0.000000 0.000000 4.525391\nZr Cd Cu\n1 1 2\ndirect\n0.500000 0.500001 0.499999 Zr\n0.000000 0.000000 0.000000 Cd\n0.750000 0.750001 0.749998 Cu\n0.250000 0.250000 0.249999 Cu\n",
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{
"id": "jvasp-80766",
"created_at": "2022-09-04T14:37:06.213669Z",
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"structure_string": "Li2 Tl1 In1\n1.0\n-10.052838 0.004542 -5.796563\n-9.548998 -0.128890 4.923559\n-6.475425 8.564518 -0.400003\nLi Tl In\n2 1 1\ndirect\n0.751313 0.000036 0.000035 Li\n0.248686 0.999965 0.999965 Li\n0.500000 0.000000 -0.000000 Tl\n-0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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{
"id": "jvasp-64600",
"created_at": "2022-09-04T14:38:11.679243Z",
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"structure_string": "Ba4 Na1 Si1\n1.0\n0.000000 5.076017 5.076017\n5.076017 -0.000000 5.076017\n5.076017 5.076017 0.000000\nBa Na Si\n4 1 1\ndirect\n0.118769 0.627077 0.627077 Ba\n0.627077 0.627077 0.627077 Ba\n0.627077 0.118769 0.627077 Ba\n0.627077 0.627077 0.118769 Ba\n0.250000 0.250000 0.250000 Na\n0.000000 0.000000 0.000000 Si\n",
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}