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{
"id": "jvasp-40216",
"created_at": "2022-09-04T14:37:58.455101Z",
"updated_at": "2022-09-04T14:37:58.455118Z",
"structure_string": "Ca8 Sn4 S16\n1.0\n8.619524 -0.000000 0.000000\n0.000000 8.619524 0.000000\n-0.000000 -0.000000 9.064868\nCa Sn S\n8 4 16\ndirect\n0.260647 0.000000 0.250000 Ca\n0.739353 0.000000 0.750000 Ca\n0.000000 0.260647 0.500000 Ca\n0.000000 0.739353 0.000000 Ca\n0.239810 0.239810 0.875000 Ca\n0.760189 0.760189 0.375000 Ca\n0.760189 0.239810 0.125000 Ca\n0.239810 0.760189 0.625000 Ca\n0.500000 0.748874 0.000000 Sn\n0.500000 0.251126 0.500000 Sn\n0.748874 0.500000 0.750000 Sn\n0.251126 0.500000 0.250000 Sn\n0.456926 0.729099 0.276563 S\n0.543073 0.270901 0.776563 S\n0.270901 0.543073 -0.026563 S\n0.729099 0.456926 0.473437 S\n0.543073 0.729099 0.723437 S\n0.456926 0.270901 0.223437 S\n0.733417 0.933775 0.050332 S\n0.933775 0.733417 0.699668 S\n0.066225 0.733417 0.300332 S\n0.933775 0.266583 0.800332 S\n0.266583 0.933775 -0.050332 S\n0.733417 0.066225 0.449668 S\n0.270901 0.456926 0.526563 S\n0.066225 0.266583 0.199668 S\n0.266583 0.066225 0.550332 S\n0.729099 0.543073 0.026563 S\n",
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{
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"structure_string": "Be1 Cd1 Br1\n1.0\n5.520862 0.000000 -0.000000\n-2.760431 4.781206 -0.000000\n-0.000000 -0.000000 2.733568\nBe Cd Br\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.666667 0.333333 0.000000 Cd\n0.333334 0.666667 0.000000 Br\n",
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},
{
"id": "jvasp-17734",
"created_at": "2022-09-04T14:38:14.949387Z",
"updated_at": "2022-09-04T14:38:14.949406Z",
"structure_string": "Tm3 Ag3 Pb3\n1.0\n3.746325 -6.488824 -0.000000\n3.746325 6.488824 0.000000\n-0.000000 0.000000 4.452145\nTm Ag Pb\n3 3 3\ndirect\n-0.000000 0.424626 0.499999 Tm\n0.575373 0.575373 0.499999 Tm\n0.424626 -0.000000 0.499999 Tm\n0.250263 0.250263 0.000000 Ag\n0.749736 -0.000000 0.000000 Ag\n-0.000000 0.749736 0.000000 Ag\n0.000000 0.000000 0.499999 Pb\n0.333332 0.666666 0.000000 Pb\n0.666666 0.333332 0.000000 Pb\n",
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"density_atomic": 0.04157878250959031,
"volume": 216.45655444394302,
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"formula_full": "Tm3 Ag3 Pb3",
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"spacegroup": 189
},
{
"id": "jvasp-37204",
"created_at": "2022-09-04T14:38:07.377976Z",
"updated_at": "2022-09-04T14:38:07.378007Z",
"structure_string": "Mg3 Pb1\n1.0\n-2.285093 2.285093 4.605935\n2.285093 -2.285093 4.605935\n2.285093 2.285093 -4.605935\nMg Pb\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.750000 0.250000 0.500000 Mg\n0.250000 0.750000 0.500000 Mg\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"volume": 96.20232231458431,
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},
{
"id": "jvasp-28744",
"created_at": "2022-09-04T14:37:56.894682Z",
"updated_at": "2022-09-04T14:37:56.894709Z",
"structure_string": "Mo3 W1 S8\n1.0\n3.191442 -0.000000 -0.000000\n-1.595721 2.763794 0.000147\n-0.000000 0.001797 32.719154\nMo W S\n3 1 8\ndirect\n0.333478 0.666956 0.089457 Mo\n0.666652 0.333304 0.280063 Mo\n0.666601 0.333203 0.662269 Mo\n0.333270 0.666539 0.471127 W\n0.333275 0.666551 0.327945 S\n0.333235 0.666470 0.710116 S\n0.666854 0.333708 0.041610 S\n0.666619 0.333236 0.422963 S\n0.666770 0.333539 0.137346 S\n0.666586 0.333172 0.519291 S\n0.333356 0.666713 0.232180 S\n0.333302 0.666604 0.614381 S\n",
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{
"id": "jvasp-80013",
"created_at": "2022-09-04T14:37:18.233407Z",
"updated_at": "2022-09-04T14:37:18.233429Z",
"structure_string": "Yb1 In1 Hg2\n1.0\n0.000000 3.636749 3.636749\n3.636749 -0.000000 3.636749\n3.636749 3.636749 -0.000000\nYb In Hg\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Yb\n0.250000 0.250000 0.250000 In\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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"Hg"
],
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"formula_reduced": "YbInHg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-35076",
"created_at": "2022-09-04T14:37:49.675289Z",
"updated_at": "2022-09-04T14:37:49.675316Z",
"structure_string": "Sm2 Tl2 Zn2\n1.0\n2.368120 -4.101703 -0.000000\n2.368120 4.101703 0.000000\n-0.000000 0.000000 7.427359\nSm Tl Zn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.333333 0.666667 0.250000 Tl\n0.666667 0.333333 0.750000 Tl\n0.333333 0.666667 0.750000 Zn\n0.666667 0.333333 0.250000 Zn\n",
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"volume": 144.28870235606362,
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"formula_full": "Sm2 Tl2 Zn2",
"formula_reduced": "SmTlZn",
"formula_anonymous": "ABC",
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"spacegroup": 194
},
{
"id": "jvasp-40610",
"created_at": "2022-09-04T14:38:07.227647Z",
"updated_at": "2022-09-04T14:38:07.227667Z",
"structure_string": "Li1 La2 Ru1\n1.0\n0.000000 3.636658 3.636658\n3.636658 -0.000000 3.636658\n3.636658 3.636658 -0.000000\nLi La Ru\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 La\n0.750000 0.750000 0.750000 Ru\n",
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"volume": 96.19165087632042,
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"formula_full": "Li1 La2 Ru1",
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},
{
"id": "jvasp-85557",
"created_at": "2022-09-04T14:35:43.069266Z",
"updated_at": "2022-09-04T14:35:43.069292Z",
"structure_string": "Eu2 Cu2 Bi2\n1.0\n4.551532 -0.000000 -0.000000\n-2.275766 3.941742 -0.000000\n-0.000000 0.000000 8.042229\nEu Cu Bi\n2 2 2\ndirect\n0.000000 0.000000 0.000000 Eu\n0.000000 0.000000 0.500000 Eu\n0.666666 0.333333 0.250000 Cu\n0.333332 0.666667 0.750000 Cu\n0.333332 0.666667 0.250000 Bi\n0.666666 0.333333 0.750000 Bi\n",
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{
"id": "jvasp-20499",
"created_at": "2022-09-04T14:38:15.880518Z",
"updated_at": "2022-09-04T14:38:15.880529Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
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},
{
"id": "jvasp-20233",
"created_at": "2022-09-04T14:37:49.032145Z",
"updated_at": "2022-09-04T14:37:49.032176Z",
"structure_string": "Ba1 Al4\n1.0\n4.306735 0.000000 -1.622567\n-0.611303 4.263130 -1.622567\n0.006186 0.007136 6.543327\nBa Al\n1 4\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750002 0.250000 0.500000 Al\n0.250001 0.750000 0.500000 Al\n0.380854 0.380853 0.761707 Al\n0.619149 0.619147 0.238293 Al\n",
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},
{
"id": "jvasp-38512",
"created_at": "2022-09-04T14:37:55.210947Z",
"updated_at": "2022-09-04T14:37:55.210974Z",
"structure_string": "Na1 Cd1 Hg2\n1.0\n-0.000000 3.636617 3.636617\n3.636617 -0.000000 3.636617\n3.636617 3.636617 0.000000\nNa Cd Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Na\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Hg\n",
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}