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{
"id": "jvasp-30194",
"created_at": "2022-09-04T14:38:13.034590Z",
"updated_at": "2022-09-04T14:38:13.034604Z",
"structure_string": "Tm2 Br2 O2\n1.0\n3.776839 0.000000 0.000000\n0.000000 3.776839 0.000000\n0.000000 0.000000 8.322123\nTm Br O\n2 2 2\ndirect\n0.000000 0.500000 0.134026 Tm\n0.500000 0.000000 0.865974 Tm\n0.000000 0.500000 0.669065 Br\n0.500000 0.000000 0.330934 Br\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
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{
"id": "jvasp-14632",
"created_at": "2022-09-04T14:36:13.030706Z",
"updated_at": "2022-09-04T14:36:13.030733Z",
"structure_string": "Tm1 C2\n1.0\n3.202203 0.000000 -1.632977\n-0.832744 3.092029 -1.632977\n0.007411 0.009671 3.970718\nTm C\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.606350 0.606350 0.212699 C\n0.393650 0.393650 0.787301 C\n",
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"density": 8.128852097970247,
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"volume": 39.416429855408396,
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"formula_full": "Tm1 C2",
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{
"id": "jvasp-14581",
"created_at": "2022-09-04T14:36:06.471812Z",
"updated_at": "2022-09-04T14:36:06.471835Z",
"structure_string": "Tm1 Cd1\n1.0\n3.667742 0.000000 0.000000\n0.000000 3.667742 -0.000000\n0.000000 0.000000 3.667742\nTm Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Cd-Tm",
"density": 9.46874209312669,
"density_atomic": 0.04053532507246281,
"volume": 49.339680795077086,
"volume_molar": 14.856525140071147,
"formula_full": "Tm1 Cd1",
"formula_reduced": "TmCd",
"formula_anonymous": "AB",
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"spacegroup": 221
},
{
"id": "jvasp-36220",
"created_at": "2022-09-04T14:36:38.528266Z",
"updated_at": "2022-09-04T14:36:38.528284Z",
"structure_string": "Tm1 Cd2\n1.0\n2.458593 -4.258409 0.000000\n2.458593 4.258409 -0.000000\n-0.000000 -0.000000 3.358463\nTm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.666666 0.333332 0.499929 Cd\n0.333332 0.666666 0.500070 Cd\n",
"nsites": 3,
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"elements": [
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"chemical_system": "Cd-Tm",
"density": 9.297623121577875,
"density_atomic": 0.04265959019992756,
"volume": 70.3241635922957,
"volume_molar": 14.116733732735735,
"formula_full": "Tm1 Cd2",
"formula_reduced": "TmCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1981538055555556,
"spacegroup": 191
},
{
"id": "jvasp-16481",
"created_at": "2022-09-04T14:37:46.692463Z",
"updated_at": "2022-09-04T14:37:46.692479Z",
"structure_string": "Tm1 Cd2\n1.0\n2.458052 -4.257471 -0.000000\n2.458052 4.257471 0.000000\n-0.000000 -0.000000 3.360360\nTm Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.333333 0.666667 0.499991 Cd\n0.666667 0.333333 0.500009 Cd\n",
"nsites": 3,
"nelements": 2,
"elements": [
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"chemical_system": "Cd-Tm",
"density": 9.296467320700511,
"density_atomic": 0.04265428712503021,
"volume": 70.33290677690292,
"volume_molar": 14.11848882234891,
"formula_full": "Tm1 Cd2",
"formula_reduced": "TmCd2",
"formula_anonymous": "AB2",
"energy_above_hull": 0.1983904722222222,
"spacegroup": 191
},
{
"id": "jvasp-18658",
"created_at": "2022-09-04T14:35:53.916644Z",
"updated_at": "2022-09-04T14:35:53.916663Z",
"structure_string": "Tm2 Cd6\n1.0\n4.820707 0.000000 -0.000000\n0.000000 5.931772 -2.488562\n0.000000 -0.036634 6.432535\nTm Cd\n2 6\ndirect\n0.750000 0.366635 0.633366 Tm\n0.250000 0.633365 0.366635 Tm\n0.750000 0.822610 0.177390 Cd\n0.250000 0.177390 0.822611 Cd\n0.750000 0.313454 0.122946 Cd\n0.250000 0.686546 0.877056 Cd\n0.250000 0.122946 0.313455 Cd\n0.750000 0.877055 0.686546 Cd\n",
"nsites": 8,
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"chemical_system": "Cd-Tm",
"density": 9.16082628642113,
"density_atomic": 0.04359649088592754,
"volume": 183.50100747632214,
"volume_molar": 13.813361207802807,
"formula_full": "Tm2 Cd6",
"formula_reduced": "TmCd3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-80032",
"created_at": "2022-09-04T14:37:17.056147Z",
"updated_at": "2022-09-04T14:37:17.056178Z",
"structure_string": "Tm1 Cd1 Ag2\n1.0\n-0.000107 3.447781 3.447781\n3.447781 -0.000107 3.447781\n3.447781 3.447781 -0.000107\nTm Cd Ag\n1 1 2\ndirect\n0.750003 0.750003 0.750003 Tm\n0.249997 0.249997 0.249997 Cd\n0.500004 0.500004 0.500004 Ag\n-0.000006 -0.000006 -0.000006 Ag\n",
"nsites": 4,
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"elements": [
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"density": 10.06949209629746,
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"volume": 81.97269780835643,
"volume_molar": 12.341278116971647,
"formula_full": "Tm1 Cd1 Ag2",
"formula_reduced": "TmCdAg2",
"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39812",
"created_at": "2022-09-04T14:37:51.899254Z",
"updated_at": "2022-09-04T14:37:51.899294Z",
"structure_string": "Tm1 Cd1 Au2\n1.0\n-0.000001 3.447773 3.447768\n3.447767 -0.000002 3.447769\n3.447768 3.447775 -0.000002\nTm Cd Au\n1 1 2\ndirect\n0.749998 0.750001 0.749999 Tm\n0.250001 0.250002 0.250001 Cd\n0.500000 0.500001 0.499999 Au\n-0.000000 0.000000 0.000001 Au\n",
"nsites": 4,
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"elements": [
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"density": 13.680020633123885,
"density_atomic": 0.04879943811309416,
"volume": 81.96815690233728,
"volume_molar": 12.340594467591018,
"formula_full": "Tm1 Cd1 Au2",
"formula_reduced": "TmCdAu2",
"formula_anonymous": "ABC2",
"energy_above_hull": 0.0,
"spacegroup": 225
},
{
"id": "jvasp-110493",
"created_at": "2022-09-04T14:38:37.988269Z",
"updated_at": "2022-09-04T14:38:37.988291Z",
"structure_string": "Tm1 Cd1 Cu4\n1.0\n4.387285 -0.000000 2.533000\n1.462428 4.136372 2.533000\n-0.000000 -0.000000 5.066001\nTm Cd Cu\n1 1 4\ndirect\n0.000000 0.000000 0.000000 Tm\n0.250000 0.250000 0.250000 Cd\n0.624479 0.624478 0.624478 Cu\n0.624479 0.624478 0.126566 Cu\n0.624479 0.126566 0.624478 Cu\n0.126566 0.624478 0.624478 Cu\n",
"nsites": 6,
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"elements": [
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],
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"density": 9.672785417216737,
"density_atomic": 0.06526352728048367,
"volume": 91.93496352432416,
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"formula_full": "Tm1 Cd1 Cu4",
"formula_reduced": "TmCdCu4",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.0,
"spacegroup": 216
},
{
"id": "jvasp-39899",
"created_at": "2022-09-04T14:37:43.705330Z",
"updated_at": "2022-09-04T14:37:43.705350Z",
"structure_string": "Tm1 Cd1 Hg2\n1.0\n-0.000000 3.562361 3.562361\n3.562361 -0.000000 3.562361\n3.562361 3.562361 0.000000\nTm Cd Hg\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Tm\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Hg\n0.500001 0.500001 0.500001 Hg\n",
"nsites": 4,
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"elements": [
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],
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"density": 12.534990706985637,
"density_atomic": 0.04424011150524171,
"volume": 90.41568531141851,
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-39898",
"created_at": "2022-09-04T14:37:42.978564Z",
"updated_at": "2022-09-04T14:37:42.978588Z",
"structure_string": "Tm1 Cd1 Pd2\n1.0\n0.000000 3.352213 3.352213\n3.352213 0.000000 3.352213\n3.352213 3.352213 0.000000\nTm Cd Pd\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.250000 0.250000 0.250000 Cd\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n",
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"density": 10.89216038464851,
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{
"id": "jvasp-41392",
"created_at": "2022-09-04T14:38:34.462130Z",
"updated_at": "2022-09-04T14:38:34.462149Z",
"structure_string": "Tm1 Cd1 Pt2\n1.0\n-0.000000 3.360923 3.360923\n3.360923 0.000000 3.360923\n3.360923 3.360923 -0.000000\nTm Cd Pt\n1 1 2\ndirect\n0.749999 0.749999 0.749999 Tm\n0.249999 0.249999 0.249999 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
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}