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{
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{
"id": "jvasp-21869",
"created_at": "2022-09-04T14:37:29.090171Z",
"updated_at": "2022-09-04T14:37:29.090198Z",
"structure_string": "Sc2 U6 Sb10\n1.0\n4.561599 -7.900921 0.000000\n4.561599 7.900921 -0.000000\n0.000000 0.000000 6.175020\nSc U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.000000 0.500000 Sc\n0.387679 0.000000 0.250000 U\n0.000000 0.612321 0.750000 U\n0.387679 0.387679 0.750000 U\n0.612321 0.612321 0.250000 U\n0.000000 0.387679 0.250000 U\n0.612321 0.000000 0.750000 U\n0.000000 0.729841 0.250000 Sb\n0.270159 0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.729841 0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.270159 0.270159 0.250000 Sb\n0.000000 0.270159 0.750000 Sb\n0.729841 0.729841 0.750000 Sb\n",
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{
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"structure_string": "Sm2 In3 Cu1\n1.0\n4.749339 0.000000 0.000000\n-2.374671 4.113048 0.000000\n-0.000000 0.000000 7.595136\nSm In Cu\n2 3 1\ndirect\n0.333334 0.666667 0.724606 Sm\n0.333334 0.666667 0.262895 Sm\n0.000000 0.000000 0.482588 In\n0.000000 0.000000 0.051047 In\n0.666667 0.333333 0.936054 In\n0.666667 0.333333 0.542811 Cu\n",
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{
"id": "jvasp-21834",
"created_at": "2022-09-04T14:37:33.018932Z",
"updated_at": "2022-09-04T14:37:33.018956Z",
"structure_string": "Zr2 U6 Sb10\n1.0\n4.573067 -7.920785 -0.000000\n4.573067 7.920785 0.000000\n0.000000 0.000000 6.143922\nZr U Sb\n2 6 10\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.383757 -0.000000 0.250000 U\n-0.000000 0.616244 0.750000 U\n0.383757 0.383757 0.750000 U\n0.616244 0.616244 0.250000 U\n-0.000000 0.383757 0.250000 U\n0.616244 -0.000000 0.750000 U\n-0.000000 0.724748 0.250000 Sb\n0.275253 -0.000000 0.750000 Sb\n0.333333 0.666667 0.000000 Sb\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Sb\n0.724748 -0.000000 0.250000 Sb\n0.666667 0.333333 0.000000 Sb\n0.275253 0.275253 0.250000 Sb\n-0.000000 0.275253 0.750000 Sb\n0.724748 0.724748 0.750000 Sb\n",
"nsites": 18,
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"density": 10.55142295847069,
"density_atomic": 0.040440919974172346,
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"formula_full": "Zr2 U6 Sb10",
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"spacegroup": 193
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{
"id": "jvasp-49209",
"created_at": "2022-09-04T14:37:10.248961Z",
"updated_at": "2022-09-04T14:37:10.248984Z",
"structure_string": "Na12 Mn2 Se8\n1.0\n4.670653 -8.089808 -0.000000\n4.670653 8.089808 -0.000000\n-0.000000 0.000000 7.198729\nNa Mn Se\n12 2 8\ndirect\n0.294132 0.147066 0.460217 Na\n0.939720 0.469860 0.129781 Na\n0.469860 0.939720 0.629781 Na\n0.530140 0.060280 0.129781 Na\n0.530140 0.469860 0.129781 Na\n0.060280 0.530140 0.629781 Na\n0.469860 0.530140 0.629781 Na\n0.852933 0.147066 0.460217 Na\n0.852933 0.705867 0.460217 Na\n0.147066 0.294132 0.960217 Na\n0.147066 0.852933 0.960217 Na\n0.705867 0.852933 0.960217 Na\n0.666667 0.333333 0.748216 Mn\n0.333333 0.666667 0.248216 Mn\n0.814651 0.185348 0.857427 Se\n0.666667 0.333333 0.397211 Se\n0.333333 0.666667 0.897211 Se\n0.370697 0.185349 0.857427 Se\n0.185348 0.814651 0.357427 Se\n0.185349 0.370697 0.357427 Se\n0.814651 0.629302 0.857427 Se\n0.629302 0.814651 0.357427 Se\n",
"nsites": 22,
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"formula_full": "Na12 Mn2 Se8",
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{
"id": "jvasp-17376",
"created_at": "2022-09-04T14:38:27.564596Z",
"updated_at": "2022-09-04T14:38:27.564611Z",
"structure_string": "Cd1 Sb1 Au1\n1.0\n4.084425 -0.000000 2.358144\n1.361475 3.850832 2.358144\n-0.000000 -0.000000 4.716287\nCd Sb Au\n1 1 1\ndirect\n0.499999 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Sb\n0.249999 0.250000 0.250000 Au\n",
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{
"id": "jvasp-36236",
"created_at": "2022-09-04T14:38:32.658338Z",
"updated_at": "2022-09-04T14:38:32.658355Z",
"structure_string": "Sm1 Hg2\n1.0\n5.000045 -0.000431 0.029251\n-2.500396 4.330812 -0.000000\n-0.019893 -0.011485 3.425391\nSm Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.666649 0.333324 0.499767 Hg\n0.333351 0.666675 0.500232 Hg\n",
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"Hg"
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{
"id": "jvasp-93105",
"created_at": "2022-09-04T14:36:11.056365Z",
"updated_at": "2022-09-04T14:36:11.056377Z",
"structure_string": "Ce1 Mg6 Sb1\n1.0\n6.766315 0.274301 0.000000\n-3.145606 5.448349 0.000000\n0.000000 0.000000 5.242465\nCe Mg Sb\n1 6 1\ndirect\n0.144305 0.322152 0.250000 Ce\n0.651847 0.325587 0.250000 Mg\n0.651847 0.826260 0.250000 Mg\n0.360009 0.185855 0.750001 Mg\n0.360008 0.674155 0.750001 Mg\n0.816571 0.158287 0.750001 Mg\n0.853873 0.676937 0.750001 Mg\n0.161536 0.830769 0.250000 Sb\n",
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{
"id": "jvasp-18119",
"created_at": "2022-09-04T14:38:09.400215Z",
"updated_at": "2022-09-04T14:38:09.400242Z",
"structure_string": "Y3 Ag3 Pb3\n1.0\n3.789170 -6.563036 0.000000\n3.789170 6.563036 0.000000\n-0.000000 0.000000 4.473695\nY Ag Pb\n3 3 3\ndirect\n-0.000000 0.421180 0.500001 Y\n0.578820 0.578820 0.500001 Y\n0.421180 -0.000000 0.500001 Y\n-0.000000 0.749169 0.000000 Ag\n0.250831 0.250831 0.000000 Ag\n0.749169 -0.000000 0.000000 Ag\n0.000000 0.000000 0.500001 Pb\n0.333333 0.666667 0.000000 Pb\n0.666667 0.333333 0.000000 Pb\n",
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"formula_full": "Y3 Ag3 Pb3",
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},
{
"id": "jvasp-34687",
"created_at": "2022-09-04T14:38:11.849906Z",
"updated_at": "2022-09-04T14:38:11.849926Z",
"structure_string": "Tl4 C2 S6\n1.0\n6.016027 -0.000000 2.321011\n2.677563 5.571936 2.017029\n0.037893 -0.034018 8.859013\nTl C S\n4 2 6\ndirect\n0.522304 0.687211 0.631301 Tl\n0.477695 0.312789 0.368699 Tl\n0.159184 0.187211 0.131301 Tl\n0.840815 0.812790 0.868698 Tl\n0.947985 0.750000 0.250000 C\n0.052015 0.250000 0.750000 C\n0.197321 0.689392 0.081843 S\n0.680669 0.750000 0.250000 S\n0.802678 0.310608 0.918157 S\n0.968555 0.810608 0.418157 S\n0.031444 0.189392 0.581843 S\n0.319331 0.250000 0.750000 S\n",
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"volume": 296.6735724008263,
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{
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"created_at": "2022-09-04T14:37:10.335290Z",
"updated_at": "2022-09-04T14:37:10.335323Z",
"structure_string": "Mo12 Cl24\n1.0\n8.958493 0.074695 0.000000\n-1.894689 8.756159 -0.000000\n-0.000000 -0.000000 11.325229\nMo Cl\n12 24\ndirect\n0.633465 0.366534 0.500000 Mo\n0.435196 0.435196 0.350210 Mo\n0.133465 0.866535 0.000000 Mo\n0.849956 0.849956 0.935441 Mo\n0.064803 0.064803 0.850210 Mo\n0.564803 0.564803 0.649790 Mo\n0.366534 0.633465 0.500000 Mo\n0.935196 0.935196 0.149790 Mo\n0.150043 0.150044 0.064559 Mo\n0.650043 0.650043 0.435441 Mo\n0.349956 0.349956 0.564559 Mo\n0.866534 0.133465 0.000000 Mo\n0.831620 0.578138 0.581687 Cl\n0.142333 0.142333 0.642567 Cl\n0.804903 0.195096 0.500000 Cl\n0.921861 0.668379 0.081687 Cl\n0.304903 0.695097 0.000000 Cl\n0.791976 0.044327 0.795395 Cl\n0.544327 0.291976 0.704605 Cl\n0.578138 0.831621 0.581687 Cl\n0.668379 0.921861 0.081687 Cl\n0.421861 0.168379 0.418313 Cl\n0.708023 0.455673 0.295395 Cl\n0.331621 0.078138 0.918313 Cl\n0.195096 0.804903 0.500000 Cl\n0.642333 0.642333 0.857433 Cl\n0.695096 0.304903 0.000000 Cl\n0.044327 0.791976 0.795395 Cl\n0.291976 0.544327 0.704605 Cl\n0.955672 0.208023 0.204605 Cl\n0.357667 0.357667 0.142567 Cl\n0.078138 0.331621 0.918313 Cl\n0.168379 0.421862 0.418313 Cl\n0.208024 0.955673 0.204605 Cl\n0.857666 0.857666 0.357433 Cl\n0.455673 0.708024 0.295395 Cl\n",
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{
"id": "jvasp-79882",
"created_at": "2022-09-04T14:36:52.667523Z",
"updated_at": "2022-09-04T14:36:52.667540Z",
"structure_string": "Pm2 Ge1 Au1\n1.0\n0.000000 3.670270 3.670270\n3.670270 -0.000000 3.670270\n3.670270 3.670270 0.000000\nPm Ge Au\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.750000 0.750000 0.750000 Ge\n0.250000 0.250000 0.250000 Au\n",
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{
"id": "jvasp-69726",
"created_at": "2022-09-04T14:36:01.570702Z",
"updated_at": "2022-09-04T14:36:01.570729Z",
"structure_string": "Sr1 Be1 Sb1\n1.0\n2.119025 -3.670260 0.000000\n2.119025 3.670260 -0.000000\n0.000000 -0.000000 4.767839\nSr Be Sb\n1 1 1\ndirect\n0.666668 0.333334 0.333381 Sr\n0.000000 0.000000 0.833160 Be\n0.333334 0.666668 0.833459 Sb\n",
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}
]
}