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{
"id": "jvasp-102670",
"created_at": "2022-09-04T14:36:53.653048Z",
"updated_at": "2022-09-04T14:36:53.653070Z",
"structure_string": "Tb1 Si2 Ir1 Rh1\n1.0\n3.815231 -0.002402 -4.321527\n-0.547674 3.775718 -4.321527\n0.002080 0.002402 5.764684\nTb Si Ir Rh\n1 2 1 1\ndirect\n0.000000 0.000000 0.000000 Tb\n0.621356 0.621356 0.000000 Si\n0.378645 0.378645 0.000000 Si\n0.250001 0.750000 0.500000 Ir\n0.750000 0.250000 0.499999 Rh\n",
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{
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"structure_string": "Ba1 Fe1 O2 F1\n1.0\n3.895267 -0.000000 0.000000\n0.000000 3.895267 0.000000\n-0.000000 -0.000000 4.347479\nBa Fe O F\n1 1 2 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 0.500000 O\n0.500000 0.500000 -0.000000 F\n",
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{
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"structure_string": "Ce1 Zn1 Ag1 P2\n1.0\n4.179698 0.000000 0.000000\n-2.089848 3.619725 0.000000\n0.000000 0.000000 6.763432\nCe Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666668 0.008829 Ce\n0.666667 0.333334 0.627589 Zn\n0.000000 0.000000 0.364155 Ag\n0.000000 0.000000 0.752884 P\n0.666667 0.333334 0.246543 P\n",
"nsites": 5,
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},
{
"id": "jvasp-99887",
"created_at": "2022-09-04T14:36:38.368455Z",
"updated_at": "2022-09-04T14:36:38.368473Z",
"structure_string": "Sm2 P2 Os4 C2\n1.0\n5.896377 -0.006300 0.000000\n-4.600788 3.687825 -0.000000\n0.000000 -0.000000 7.123820\nSm P Os C\n2 2 4 2\ndirect\n0.544945 0.455054 0.250000 Sm\n0.455054 0.544945 0.750000 Sm\n0.269803 0.730195 0.250000 P\n0.730196 0.269803 0.750000 P\n0.833408 0.166592 0.052768 Os\n0.166591 0.833406 0.947232 Os\n0.166591 0.833406 0.552768 Os\n0.833408 0.166592 0.447232 Os\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"volume": 154.6996038431543,
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"formula_full": "Sm2 P2 Os4 C2",
"formula_reduced": "SmPOs2C",
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"spacegroup": 63
},
{
"id": "jvasp-34270",
"created_at": "2022-09-04T14:36:33.557237Z",
"updated_at": "2022-09-04T14:36:33.557253Z",
"structure_string": "Pb2 C2 Cl2 O4\n1.0\n4.172651 -0.009439 0.282658\n0.022388 4.172627 0.282582\n0.025049 0.024687 9.445239\nPb C Cl O\n2 2 2 4\ndirect\n0.780772 0.780786 0.777339 Pb\n0.219228 0.219215 0.222661 Pb\n0.631814 0.368185 0.500001 C\n0.368187 0.631814 0.499999 C\n0.729496 0.729490 0.114440 Cl\n0.270505 0.270511 0.885560 Cl\n0.328024 0.789749 0.609491 O\n0.210251 0.671980 0.390510 O\n0.789749 0.328021 0.609490 O\n0.671976 0.210252 0.390510 O\n",
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"density_atomic": 0.06082958239520111,
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"formula_full": "Pb2 C2 Cl2 O4",
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"spacegroup": 12
},
{
"id": "jvasp-107712",
"created_at": "2022-09-04T14:37:02.616267Z",
"updated_at": "2022-09-04T14:37:02.616300Z",
"structure_string": "Dy2 Mn4 Si2 C2\n1.0\n5.586098 0.004483 0.000000\n-4.360468 3.491536 0.000000\n-0.000000 -0.000000 6.961212\nDy Mn Si C\n2 4 2 2\ndirect\n0.544021 0.455979 0.250000 Dy\n0.455979 0.544021 0.750000 Dy\n0.831597 0.168402 0.061849 Mn\n0.168403 0.831598 0.938151 Mn\n0.168403 0.831598 0.561849 Mn\n0.831597 0.168402 0.438151 Mn\n0.265068 0.734933 0.250000 Si\n0.734933 0.265067 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"elements": [
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"density": 7.635642983001164,
"density_atomic": 0.0735791913782659,
"volume": 135.9079899178375,
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"formula_full": "Dy2 Mn4 Si2 C2",
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"formula_anonymous": "ABCD2",
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{
"id": "jvasp-50864",
"created_at": "2022-09-04T14:37:18.439018Z",
"updated_at": "2022-09-04T14:37:18.439034Z",
"structure_string": "K1 Li1 Mn1 S2\n1.0\n0.000000 4.026698 -0.000000\n2.013349 -2.013349 6.546865\n4.026698 0.000000 0.000000\nK Li Mn S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.250000 0.500000 0.250000 Li\n0.750000 0.500000 0.750001 Mn\n0.646859 0.293718 0.353141 S\n0.353141 0.706281 0.646860 S\n",
"nsites": 5,
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"elements": [
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"S"
],
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"density": 2.58275961895488,
"density_atomic": 0.04710190809489818,
"volume": 106.15281210957085,
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"formula_full": "K1 Li1 Mn1 S2",
"formula_reduced": "KLiMnS2",
"formula_anonymous": "ABCD2",
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"spacegroup": 119
},
{
"id": "jvasp-102203",
"created_at": "2022-09-04T14:36:33.259828Z",
"updated_at": "2022-09-04T14:36:33.259846Z",
"structure_string": "K1 Zn1 Cu1 Te2\n1.0\n4.113090 -0.004160 -6.916930\n-0.314299 4.101066 -6.916930\n0.003858 0.004160 8.047447\nK Zn Cu Te\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500001 Zn\n0.250000 0.750001 0.500001 Cu\n0.637885 0.637885 0.000001 Te\n0.362115 0.362116 0.000000 Te\n",
"nsites": 5,
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"elements": [
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],
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"formula_full": "K1 Zn1 Cu1 Te2",
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},
{
"id": "jvasp-100556",
"created_at": "2022-09-04T14:36:53.584879Z",
"updated_at": "2022-09-04T14:36:53.584907Z",
"structure_string": "La1 Mn1 Fe1 Ge2\n1.0\n3.863569 0.007034 -4.704889\n-0.489711 3.832414 -4.704889\n-0.006181 -0.007034 6.087948\nLa Mn Fe Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.250000 0.749999 0.500000 Mn\n0.750000 0.249999 0.500000 Fe\n0.630961 0.630959 -0.000001 Ge\n0.369040 0.369039 -0.000001 Ge\n",
"nsites": 5,
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{
"id": "jvasp-104931",
"created_at": "2022-09-04T14:36:54.548622Z",
"updated_at": "2022-09-04T14:36:54.548642Z",
"structure_string": "Sm1 Zn1 Ag1 P2\n1.0\n4.152227 0.000000 0.000000\n-2.076113 3.595934 0.000000\n0.000000 0.000000 6.752482\nSm Zn Ag P\n1 1 1 2\ndirect\n0.333334 0.666666 0.013775 Sm\n0.000000 0.000000 0.626671 Zn\n0.666667 0.333333 0.364028 Ag\n0.666667 0.333333 0.753028 P\n0.000000 0.000000 0.242496 P\n",
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{
"id": "jvasp-108765",
"created_at": "2022-09-04T14:38:20.708347Z",
"updated_at": "2022-09-04T14:38:20.708367Z",
"structure_string": "La1 Mn1 Cu1 Ge2\n1.0\n3.944465 -0.019823 -4.587813\n-0.557188 3.904964 -4.587813\n0.017283 0.019823 6.050334\nLa Mn Cu Ge\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 La\n0.249999 0.749999 0.499999 Mn\n0.750000 0.250000 0.500000 Cu\n0.625188 0.625188 0.000001 Ge\n0.374812 0.374812 0.000001 Ge\n",
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},
{
"id": "jvasp-102626",
"created_at": "2022-09-04T14:36:54.521044Z",
"updated_at": "2022-09-04T14:36:54.521074Z",
"structure_string": "Er2 Fe4 Si2 C2\n1.0\n5.527967 0.000420 0.000000\n-4.288465 3.488192 0.000000\n-0.000000 -0.000000 6.700038\nEr Fe Si C\n2 4 2 2\ndirect\n0.549910 0.450089 0.250000 Er\n0.450089 0.549910 0.750000 Er\n0.834852 0.165149 0.061611 Fe\n0.165148 0.834851 0.938389 Fe\n0.165148 0.834851 0.561611 Fe\n0.834852 0.165149 0.438389 Fe\n0.269989 0.730010 0.250000 Si\n0.730011 0.269989 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
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}