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{
"id": "jvasp-99573",
"created_at": "2022-09-04T14:36:18.870594Z",
"updated_at": "2022-09-04T14:36:18.870613Z",
"structure_string": "Tm2 Ga6\n1.0\n6.211950 -0.000000 0.000000\n-3.105975 5.379706 0.000000\n0.000000 0.000000 4.512384\nTm Ga\n2 6\ndirect\n0.333333 0.666667 0.749999 Tm\n0.666667 0.333334 0.250000 Tm\n0.150683 0.301367 0.250000 Ga\n0.698633 0.849317 0.250000 Ga\n0.150683 0.849317 0.250000 Ga\n0.849316 0.698634 0.749999 Ga\n0.301367 0.150684 0.749999 Ga\n0.849316 0.150684 0.749999 Ga\n",
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{
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"updated_at": "2022-09-04T14:38:13.232126Z",
"structure_string": "Tm2 Ga4 Pd2\n1.0\n4.397400 0.000000 0.000000\n-2.198700 5.019518 -0.000000\n0.000000 -0.000000 6.555270\nTm Ga Pd\n2 4 2\ndirect\n0.089374 0.178749 0.750000 Tm\n0.910626 0.821252 0.250000 Tm\n0.373881 0.747763 0.948267 Ga\n0.626119 0.252238 0.051733 Ga\n0.626119 0.252238 0.448267 Ga\n0.373881 0.747763 0.551733 Ga\n0.800579 0.601158 0.750000 Pd\n0.199421 0.398842 0.250000 Pd\n",
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{
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"created_at": "2022-09-04T14:37:51.673963Z",
"updated_at": "2022-09-04T14:37:51.673989Z",
"structure_string": "Tm2 Ga4\n1.0\n3.884600 -0.000000 1.537327\n1.613541 5.266031 1.599389\n-0.023105 0.049240 5.734952\nTm Ga\n2 4\ndirect\n0.936981 0.313018 0.313019 Tm\n0.063018 0.686981 0.686982 Tm\n0.340819 0.107527 0.710833 Ga\n0.659180 0.892473 0.289167 Ga\n0.659179 0.289167 0.892473 Ga\n0.340820 0.710833 0.107528 Ga\n",
"nsites": 6,
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"volume": 117.31987330919254,
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"formula_full": "Tm2 Ga4",
"formula_reduced": "TmGa2",
"formula_anonymous": "AB2",
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"spacegroup": 74
},
{
"id": "jvasp-20526",
"created_at": "2022-09-04T14:38:27.935343Z",
"updated_at": "2022-09-04T14:38:27.935363Z",
"structure_string": "Tm2 Ga4\n1.0\n3.884600 -0.000000 1.537327\n1.613541 5.266031 1.599388\n-0.023105 0.049240 5.734952\nTm Ga\n2 4\ndirect\n0.936981 0.313018 0.313019 Tm\n0.063018 0.686981 0.686982 Tm\n0.340819 0.107527 0.710833 Ga\n0.659180 0.892473 0.289168 Ga\n0.659179 0.289167 0.892473 Ga\n0.340820 0.710833 0.107528 Ga\n",
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"formula_full": "Tm2 Ga4",
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"formula_anonymous": "AB2",
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"spacegroup": 74
},
{
"id": "jvasp-105365",
"created_at": "2022-09-04T14:36:55.378726Z",
"updated_at": "2022-09-04T14:36:55.378734Z",
"structure_string": "Tm2 Ga3 Ni1\n1.0\n4.285928 -0.001605 3.393447\n2.127231 3.720763 3.393447\n-0.001351 -0.000784 6.950098\nTm Ga Ni\n2 3 1\ndirect\n0.538360 0.538361 0.709840 Tm\n0.453051 0.453052 0.296744 Tm\n0.851937 0.851938 0.679155 Ga\n0.823857 0.823858 0.125603 Ga\n0.163227 0.163228 0.906575 Ga\n0.169567 0.169568 0.282084 Ni\n",
"nsites": 6,
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"elements": [
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"density": 9.071490370610828,
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"volume": 110.87921051124087,
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"formula_full": "Tm2 Ga3 Ni1",
"formula_reduced": "Tm2Ga3Ni",
"formula_anonymous": "AB2C3",
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"spacegroup": 8
},
{
"id": "jvasp-103035",
"created_at": "2022-09-04T14:36:34.042066Z",
"updated_at": "2022-09-04T14:36:34.042087Z",
"structure_string": "Tm2 Ga2 Au2\n1.0\n4.468791 0.019204 3.437337\n2.244797 3.864111 3.437337\n-0.010577 -0.006118 6.995608\nTm Ga Au\n2 2 2\ndirect\n0.462717 0.462716 0.297897 Tm\n0.537284 0.537283 0.702105 Tm\n0.156731 0.156730 0.896222 Ga\n0.843270 0.843268 0.103780 Ga\n0.822720 0.822718 0.711024 Au\n0.177280 0.177280 0.288978 Au\n",
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"elements": [
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"density_atomic": 0.04971641990479563,
"volume": 120.68447429420077,
"volume_molar": 12.112981529104644,
"formula_full": "Tm2 Ga2 Au2",
"formula_reduced": "TmGaAu",
"formula_anonymous": "ABC",
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"spacegroup": 12
},
{
"id": "jvasp-79560",
"created_at": "2022-09-04T14:37:56.852782Z",
"updated_at": "2022-09-04T14:37:56.852800Z",
"structure_string": "Tm2 Ga2\n1.0\n0.000000 0.000000 -3.991381\n-4.254885 -0.000000 -0.000000\n2.127442 5.319459 0.000000\nTm Ga\n2 2\ndirect\n0.750000 0.139084 0.278168 Tm\n0.250000 0.860917 0.721832 Tm\n0.750000 0.420790 0.841578 Ga\n0.250000 0.579212 0.158422 Ga\n",
"nsites": 4,
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"density": 8.773546339722474,
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"volume": 90.33966548657813,
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"formula_full": "Tm2 Ga2",
"formula_reduced": "TmGa",
"formula_anonymous": "AB",
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"spacegroup": 63
},
{
"id": "jvasp-100248",
"created_at": "2022-09-04T14:36:51.459860Z",
"updated_at": "2022-09-04T14:36:51.459889Z",
"structure_string": "Tm2 Ga1 Ru1\n1.0\n4.192711 -0.000000 2.420663\n1.397571 3.952926 2.420663\n-0.000000 -0.000000 4.841326\nTm Ga Ru\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.749999 0.750001 0.750000 Tm\n0.500000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.526886899889027,
"density_atomic": 0.049851938602018996,
"volume": 80.23760182995171,
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"formula_full": "Tm2 Ga1 Ru1",
"formula_reduced": "Tm2GaRu",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.55482283125,
"spacegroup": 225
},
{
"id": "jvasp-41489",
"created_at": "2022-09-04T14:37:45.157484Z",
"updated_at": "2022-09-04T14:37:45.157508Z",
"structure_string": "Tm2 Ga1 Os1\n1.0\n0.000000 3.423564 3.423564\n3.423564 0.000000 3.423564\n3.423564 3.423564 0.000000\nTm Ga Os\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Tm\n0.499999 0.499999 0.499999 Tm\n0.250000 0.250000 0.250000 Ga\n0.750000 0.750000 0.750000 Os\n",
"nsites": 4,
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"elements": [
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"density": 12.369587603745984,
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"volume": 80.25375255515044,
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"formula_full": "Tm2 Ga1 Os1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-107998",
"created_at": "2022-09-04T14:36:21.852430Z",
"updated_at": "2022-09-04T14:36:21.852455Z",
"structure_string": "Tm2 Ga1 Cu1\n1.0\n4.240306 -0.000000 2.448142\n1.413435 3.997798 2.448142\n-0.000000 -0.000000 4.896283\nTm Ga Cu\n2 1 1\ndirect\n0.250001 0.250000 0.249999 Tm\n0.750002 0.750000 0.749998 Tm\n0.000000 0.000000 0.000000 Ga\n0.500001 0.500000 0.499999 Cu\n",
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"density": 9.425668040215458,
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"volume": 83.00123538291392,
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"formula_full": "Tm2 Ga1 Cu1",
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{
"id": "jvasp-99438",
"created_at": "2022-09-04T14:36:30.965237Z",
"updated_at": "2022-09-04T14:36:30.965256Z",
"structure_string": "Tm2 Fe4 Si2 C2\n1.0\n5.534440 -0.004007 0.000000\n-4.305105 3.477947 0.000000\n0.000000 -0.000000 6.704080\nTm Fe Si C\n2 4 2 2\ndirect\n0.549117 0.450883 0.250000 Tm\n0.450884 0.549117 0.750000 Tm\n0.835093 0.164906 0.061122 Fe\n0.164907 0.835094 0.938878 Fe\n0.164907 0.835094 0.561122 Fe\n0.835093 0.164906 0.438878 Fe\n0.269550 0.730451 0.250000 Si\n0.730451 0.269548 0.750000 Si\n0.000000 0.000000 0.000000 C\n0.000000 0.000000 0.500000 C\n",
"nsites": 10,
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"volume": 128.9277609937624,
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"formula_full": "Tm2 Fe4 Si2 C2",
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{
"id": "jvasp-54892",
"created_at": "2022-09-04T14:37:27.461758Z",
"updated_at": "2022-09-04T14:37:27.461781Z",
"structure_string": "Tm2 Fe4\n1.0\n4.365631 -0.000000 2.520498\n1.455211 4.115956 2.520498\n-0.000000 0.000000 5.040996\nTm Fe\n2 4\ndirect\n0.874999 0.875001 0.875001 Tm\n0.125000 0.125000 0.125000 Tm\n0.500000 0.000000 0.500001 Fe\n-0.000000 0.500000 0.500000 Fe\n0.500000 0.500000 0.500001 Fe\n0.500000 0.500000 0.000000 Fe\n",
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}