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{
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{
"id": "jvasp-51439",
"created_at": "2022-09-04T14:37:19.551779Z",
"updated_at": "2022-09-04T14:37:19.551797Z",
"structure_string": "Zr3 Cd2\n1.0\n5.184790 -0.000000 0.000000\n-0.000000 5.574978 0.000000\n0.000000 0.000000 5.575245\nZr Cd\n3 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.000000 0.500000 Zr\n0.000000 0.500000 0.000000 Zr\n0.000000 0.500000 0.500000 Cd\n0.500000 0.500000 0.500000 Cd\n",
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{
"id": "jvasp-80523",
"created_at": "2022-09-04T14:37:14.355963Z",
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"structure_string": "Ce3 Mg1\n1.0\n3.269779 0.000000 0.000000\n0.000000 5.580671 0.000000\n0.000000 0.000000 5.730161\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.973233 Ce\n0.500000 0.000000 0.441578 Ce\n0.500000 0.500000 0.880894 Ce\n0.000000 0.500000 0.370960 Mg\n",
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{
"id": "jvasp-12965",
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"formula_full": "Mn6 As4",
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{
"id": "jvasp-78961",
"created_at": "2022-09-04T14:37:10.971067Z",
"updated_at": "2022-09-04T14:37:10.971101Z",
"structure_string": "Mn2 S2\n1.0\n3.445426 -0.000000 0.000000\n1.722714 2.983827 0.000000\n0.000000 -0.000000 6.064825\nMn S\n2 2\ndirect\n0.666666 0.666668 0.006606 Mn\n0.333334 0.333333 0.506599 Mn\n0.333334 0.333333 0.868387 S\n0.666666 0.666668 0.368407 S\n",
"nsites": 4,
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"elements": [
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"density": 4.634241966808423,
"density_atomic": 0.0641542085099757,
"volume": 62.3497677378097,
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"formula_full": "Mn2 S2",
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{
"id": "jvasp-79660",
"created_at": "2022-09-04T14:37:14.289158Z",
"updated_at": "2022-09-04T14:37:14.289167Z",
"structure_string": "Mg2 Si2\n1.0\n3.947321 0.000000 -0.000000\n0.000000 4.241953 -0.000000\n0.000000 -0.000000 4.241953\nMg Si\n2 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Si\n0.500000 0.500000 0.000000 Si\n",
"nsites": 4,
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{
"id": "jvasp-30586",
"created_at": "2022-09-04T14:37:19.580320Z",
"updated_at": "2022-09-04T14:37:19.580346Z",
"structure_string": "Ti1 O2\n1.0\n2.750907 -0.074492 3.937442\n1.184609 2.483895 3.937442\n-0.121676 -0.074492 4.801681\nTi O\n1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.261811 0.261810 0.261810 O\n0.738190 0.738191 0.738188 O\n",
"nsites": 3,
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"density": 3.797990003145154,
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"formula_full": "Ti1 O2",
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{
"id": "jvasp-11345",
"created_at": "2022-09-04T14:37:19.588438Z",
"updated_at": "2022-09-04T14:37:19.588455Z",
"structure_string": "Cr4 S8\n1.0\n6.702893 0.145730 0.103782\n3.223655 5.878228 0.104665\n3.223972 1.955144 5.544088\nCr S\n4 8\ndirect\n0.493352 0.519802 0.493466 Cr\n0.493417 0.993474 0.019775 Cr\n0.493450 0.993382 0.493331 Cr\n0.019780 0.993354 0.493413 Cr\n0.248344 0.748420 0.754948 S\n0.248277 0.254940 0.248424 S\n0.754952 0.748276 0.248346 S\n0.248419 0.748350 0.248284 S\n0.743452 0.769711 0.743384 S\n0.743405 0.243377 0.269740 S\n0.743419 0.243460 0.743490 S\n0.269732 0.243450 0.743409 S\n",
"nsites": 12,
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"elements": [
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"volume": 213.20366792903195,
"volume_molar": 10.6995208234744,
"formula_full": "Cr4 S8",
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"spacegroup": 216
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{
"id": "jvasp-36162",
"created_at": "2022-09-04T14:37:30.557533Z",
"updated_at": "2022-09-04T14:37:30.557556Z",
"structure_string": "Cr1 Ni3\n1.0\n2.804555 2.804555 0.000000\n2.804555 0.000000 -2.804555\n0.000000 2.804555 -2.804555\nCr Ni\n1 3\ndirect\n0.000000 0.000000 0.000000 Cr\n0.250000 0.250000 0.250000 Ni\n0.749999 0.749999 0.749999 Ni\n0.499999 0.499999 0.499999 Ni\n",
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"density": 8.584349216546446,
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"volume": 44.118615955834514,
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"spacegroup": 225
},
{
"id": "jvasp-32759",
"created_at": "2022-09-04T14:37:30.581750Z",
"updated_at": "2022-09-04T14:37:30.581766Z",
"structure_string": "Bi8 Br8\n1.0\n4.260515 0.000012 0.482609\n2.106291 6.754354 0.453266\n-0.067624 0.079003 19.638013\nBi Br\n8 8\ndirect\n0.831462 0.340808 0.996260 Bi\n0.168538 0.659191 0.003740 Bi\n0.827814 0.839772 0.504600 Bi\n0.794873 0.257677 0.152607 Bi\n0.205128 0.742321 0.847393 Bi\n0.172186 0.160227 0.495400 Bi\n0.930107 0.791982 0.347777 Bi\n0.069893 0.208017 0.652223 Bi\n0.862545 0.460959 0.813918 Br\n0.561626 0.501642 0.375067 Br\n0.548033 0.021031 0.882864 Br\n0.451968 0.978968 0.117136 Br\n0.438374 0.498357 0.624933 Br\n0.304656 0.077781 0.312897 Br\n0.695344 0.922218 0.687104 Br\n0.137455 0.539039 0.186082 Br\n",
"nsites": 16,
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"elements": [
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"Br"
],
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"density": 6.789006715500562,
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"volume": 565.2713005406794,
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"formula_full": "Bi8 Br8",
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"spacegroup": 12
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{
"id": "jvasp-35005",
"created_at": "2022-09-04T14:37:30.081710Z",
"updated_at": "2022-09-04T14:37:30.081746Z",
"structure_string": "Mn2 S4\n1.0\n3.267243 0.000000 0.000000\n0.000000 4.701729 -0.000000\n0.000000 0.000000 5.574762\nMn S\n2 4\ndirect\n0.499999 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.499999 0.699801 0.132310 S\n0.499999 0.300199 0.867689 S\n0.000000 0.199801 0.367689 S\n0.000000 0.800199 0.632310 S\n",
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"formula_full": "Mn2 S4",
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{
"id": "jvasp-56049",
"created_at": "2022-09-04T14:37:19.562313Z",
"updated_at": "2022-09-04T14:37:19.562342Z",
"structure_string": "Sr4 I8\n1.0\n4.896662 0.000000 0.000000\n-0.000000 8.425202 0.000000\n0.000000 0.000000 12.342198\nSr I\n4 8\ndirect\n0.250000 0.130863 0.170970 Sr\n0.750000 0.630863 0.329030 Sr\n0.250000 0.369137 0.670971 Sr\n0.750000 0.869136 0.829030 Sr\n0.250000 0.373073 0.392778 I\n0.250000 0.882406 0.381020 I\n0.750000 0.382406 0.118980 I\n0.250000 0.617593 0.881020 I\n0.250000 0.126927 0.892778 I\n0.750000 0.873073 0.107222 I\n0.750000 0.117594 0.618980 I\n0.750000 0.626926 0.607222 I\n",
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{
"id": "jvasp-26876",
"created_at": "2022-09-04T14:37:11.925268Z",
"updated_at": "2022-09-04T14:37:11.925300Z",
"structure_string": "Ce1 H2\n1.0\n3.332142 0.000000 1.923812\n1.110714 3.141574 1.923812\n0.000000 0.000000 3.847626\nCe H\n1 2\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 H\n0.749999 0.749999 0.750001 H\n",
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}