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{
"id": "jvasp-38738",
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"structure_string": "Pm2 Mg1\n1.0\n2.234436 1.290052 2.580361\n-2.234436 -1.290052 2.580361\n3.405429 -5.898379 -2.580361\nPm Mg\n2 1\ndirect\n0.089870 0.923204 0.013075 Pm\n0.410130 0.243463 0.653592 Pm\n0.750000 0.583334 0.333334 Mg\n",
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{
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"structure_string": "Pm1 Mg1\n1.0\n3.835592 -0.000000 -0.000000\n-0.000000 3.835592 0.000000\n-0.000000 -0.000000 3.835592\nPm Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Mg\n",
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{
"id": "jvasp-106580",
"created_at": "2022-09-04T14:37:00.850033Z",
"updated_at": "2022-09-04T14:37:00.850055Z",
"structure_string": "Pm1 Mg3\n1.0\n4.492121 -0.000000 2.593527\n1.497374 4.235212 2.593527\n-0.000000 -0.000000 5.187054\nPm Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Mg\n0.749999 0.750000 0.750001 Mg\n0.250000 0.250000 0.250000 Mg\n",
"nsites": 4,
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"elements": [
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"density": 3.6668137682388218,
"density_atomic": 0.0405333614678591,
"volume": 98.68414202882721,
"volume_molar": 14.857244851935738,
"formula_full": "Pm1 Mg3",
"formula_reduced": "PmMg3",
"formula_anonymous": "AB3",
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"spacegroup": 225
},
{
"id": "jvasp-107973",
"created_at": "2022-09-04T14:35:50.785640Z",
"updated_at": "2022-09-04T14:35:50.785663Z",
"structure_string": "Pm1 Pr1 Mg2\n1.0\n4.729175 -0.000000 2.730390\n1.576392 4.458709 2.730390\n-0.000000 -0.000000 5.460781\nPm Pr Mg\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Pm\n0.000000 0.000000 0.000000 Pr\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.749999 Mg\n",
"nsites": 4,
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"elements": [
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"Mg"
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"chemical_system": "Mg-Pm-Pr",
"density": 4.824128425692964,
"density_atomic": 0.0347384724649116,
"volume": 115.14611081532998,
"volume_molar": 17.335652182411888,
"formula_full": "Pm1 Pr1 Mg2",
"formula_reduced": "PmPrMg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40853",
"created_at": "2022-09-04T14:37:33.451617Z",
"updated_at": "2022-09-04T14:37:33.451644Z",
"structure_string": "Pm1 Mg1 Rh2\n1.0\n0.000000 3.328399 3.328399\n3.328399 0.000000 3.328399\n3.328399 3.328399 -0.000000\nPm Mg Rh\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Pm\n0.249999 0.249999 0.249999 Mg\n0.000000 0.000000 0.000000 Rh\n0.500001 0.500001 0.500001 Rh\n",
"nsites": 4,
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"elements": [
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"density": 8.446534143347536,
"density_atomic": 0.05424052033287107,
"volume": 73.74560523114862,
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"formula_full": "Pm1 Mg1 Rh2",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107686",
"created_at": "2022-09-04T14:36:54.683227Z",
"updated_at": "2022-09-04T14:36:54.683244Z",
"structure_string": "Pm2 Mg1 Ru1\n1.0\n4.436191 -0.000000 2.561236\n1.478730 4.182481 2.561236\n-0.000000 -0.000000 5.122472\nPm Mg Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Pm\n0.750000 0.750000 0.750001 Pm\n0.500000 0.500000 0.500001 Mg\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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"Ru"
],
"chemical_system": "Mg-Pm-Ru",
"density": 7.257142408495068,
"density_atomic": 0.04208585794949212,
"volume": 95.04380318919625,
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"formula_full": "Pm2 Mg1 Ru1",
"formula_reduced": "Pm2MgRu",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-99602",
"created_at": "2022-09-04T14:36:37.818181Z",
"updated_at": "2022-09-04T14:36:37.818199Z",
"structure_string": "Pm1 Mg2 Sc1\n1.0\n4.538807 -0.000000 2.620482\n1.512936 4.279229 2.620482\n-0.000000 0.000000 5.240963\nPm Mg Sc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.250000 0.250000 0.249999 Mg\n0.750001 0.750000 0.749998 Mg\n0.500001 0.500000 0.499999 Sc\n",
"nsites": 4,
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"elements": [
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"Sc"
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"density": 3.8916981541569156,
"density_atomic": 0.03929539453711094,
"volume": 101.79309934710955,
"volume_molar": 15.325309316623946,
"formula_full": "Pm1 Mg2 Sc1",
"formula_reduced": "PmMg2Sc",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40937",
"created_at": "2022-09-04T14:37:32.978178Z",
"updated_at": "2022-09-04T14:37:32.978203Z",
"structure_string": "Pm2 Mg1 Si1\n1.0\n0.000000 3.678501 3.678501\n3.678501 0.000000 3.678501\n3.678501 3.678501 0.000000\nPm Mg Si\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.499999 0.499999 0.499999 Pm\n0.249999 0.249999 0.249999 Mg\n0.750000 0.750000 0.750000 Si\n",
"nsites": 4,
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"elements": [
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"Mg",
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],
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"volume": 99.55031326144555,
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"formula_full": "Pm2 Mg1 Si1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40875",
"created_at": "2022-09-04T14:37:41.263081Z",
"updated_at": "2022-09-04T14:37:41.263102Z",
"structure_string": "Pm1 Sm1 Mg2\n1.0\n0.000000 3.829541 3.829541\n3.829541 0.000000 3.829541\n3.829541 3.829541 0.000000\nPm Sm Mg\n1 1 2\ndirect\n0.250001 0.250001 0.250001 Pm\n0.750001 0.750001 0.750001 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"Sm",
"Mg"
],
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"density": 5.085099996335111,
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"volume": 112.32338069065597,
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"formula_full": "Pm1 Sm1 Mg2",
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},
{
"id": "jvasp-40942",
"created_at": "2022-09-04T14:37:34.426532Z",
"updated_at": "2022-09-04T14:37:34.426565Z",
"structure_string": "Pm2 Mg1 Sn1\n1.0\n-0.000280 3.811624 3.811624\n3.811624 -0.000280 3.811624\n3.811624 3.811624 -0.000280\nPm Mg Sn\n2 1 1\ndirect\n0.000008 0.000008 0.000008 Pm\n0.499991 0.499991 0.499991 Pm\n0.249994 0.249994 0.249994 Mg\n0.750006 0.750006 0.750006 Sn\n",
"nsites": 4,
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"Sn"
],
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"volume": 110.7663910984742,
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"formula_full": "Pm2 Mg1 Sn1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-40943",
"created_at": "2022-09-04T14:37:33.511270Z",
"updated_at": "2022-09-04T14:37:33.511294Z",
"structure_string": "Pm2 Mg1 Tl1\n1.0\n0.000000 3.842228 3.842228\n3.842228 -0.000000 3.842228\n3.842228 3.842228 -0.000000\nPm Mg Tl\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Pm\n0.250000 0.250000 0.250000 Mg\n0.750001 0.750001 0.750001 Tl\n",
"nsites": 4,
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},
{
"id": "jvasp-110024",
"created_at": "2022-09-04T14:38:18.875667Z",
"updated_at": "2022-09-04T14:38:18.875689Z",
"structure_string": "Pm1 Mg1 Tl2\n1.0\n4.601512 -0.000000 2.656684\n1.533837 4.338347 2.656684\n-0.000000 -0.000000 5.313368\nPm Mg Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.499999 Mg\n0.250000 0.250000 0.250000 Tl\n0.750000 0.750000 0.749999 Tl\n",
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}