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{
"id": "jvasp-40268",
"created_at": "2022-09-04T14:37:45.078352Z",
"updated_at": "2022-09-04T14:37:45.078373Z",
"structure_string": "Sm1 Cd3\n1.0\n-0.000000 3.610996 3.610996\n3.610996 -0.000000 3.610996\n3.610996 3.610996 -0.000000\nSm Cd\n1 3\ndirect\n0.750001 0.750001 0.750001 Sm\n0.000000 0.000000 0.000000 Cd\n0.500001 0.500001 0.500001 Cd\n0.250001 0.250001 0.250001 Cd\n",
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{
"id": "jvasp-37419",
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"updated_at": "2022-09-04T14:37:45.998173Z",
"structure_string": "Sm6 Cd2\n1.0\n3.498631 -6.059806 -0.000000\n3.498631 6.059806 0.000000\n0.000000 0.000000 5.494690\nSm Cd\n6 2\ndirect\n0.826660 0.653322 0.750000 Sm\n0.826661 0.173339 0.750000 Sm\n0.346678 0.173339 0.750000 Sm\n0.173339 0.346678 0.250000 Sm\n0.173339 0.826661 0.250000 Sm\n0.653322 0.826660 0.250000 Sm\n0.666667 0.333333 0.250000 Cd\n0.333333 0.666667 0.750000 Cd\n",
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{
"id": "jvasp-103306",
"created_at": "2022-09-04T14:36:47.531238Z",
"updated_at": "2022-09-04T14:36:47.531256Z",
"structure_string": "Sm3 Cd1\n1.0\n4.431332 0.037082 -4.087962\n-0.825537 4.353914 -4.087962\n-0.030451 -0.037082 6.028865\nSm Cd\n3 1\ndirect\n0.749999 0.250000 0.499999 Sm\n0.249999 0.749999 0.499999 Sm\n0.499999 0.499999 -0.000001 Sm\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"density": 8.124568880851514,
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"volume": 115.16904255471489,
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"formula_full": "Sm3 Cd1",
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"spacegroup": 139
},
{
"id": "jvasp-35470",
"created_at": "2022-09-04T14:37:37.904702Z",
"updated_at": "2022-09-04T14:37:37.904716Z",
"structure_string": "Sm1 C6\n1.0\n2.161191 -3.743293 0.000000\n2.161191 3.743293 0.000000\n0.000000 0.000000 4.687454\nSm C\n1 6\ndirect\n0.000000 0.000000 0.000000 Sm\n0.667115 0.667115 0.500000 C\n0.332884 0.332884 0.500000 C\n0.000000 0.332884 0.500000 C\n0.000000 0.667115 0.500000 C\n0.332884 0.000000 0.500000 C\n0.667115 0.000000 0.500000 C\n",
"nsites": 7,
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"elements": [
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],
"chemical_system": "C-Sm",
"density": 4.869867530327033,
"density_atomic": 0.09229624938393587,
"volume": 75.84273517855806,
"volume_molar": 6.524794669552577,
"formula_full": "Sm1 C6",
"formula_reduced": "SmC6",
"formula_anonymous": "AB6",
"energy_above_hull": 6.140124125,
"spacegroup": 191
},
{
"id": "jvasp-56184",
"created_at": "2022-09-04T14:37:02.378322Z",
"updated_at": "2022-09-04T14:37:02.378341Z",
"structure_string": "Sm8 C12\n1.0\n6.907681 0.000000 -2.442235\n-3.453841 5.982227 -2.442235\n0.000000 0.000000 7.326703\nSm C\n8 12\ndirect\n0.396850 0.500000 0.000001 Sm\n0.000000 0.396850 0.500000 Sm\n0.500000 -0.000000 0.396850 Sm\n0.896850 0.500000 0.000001 Sm\n0.103150 0.103150 0.103150 Sm\n0.000000 0.896850 0.500001 Sm\n0.603150 0.603151 0.603151 Sm\n0.500000 -0.000000 0.896850 Sm\n0.453378 0.250000 0.703378 C\n0.046623 0.750000 0.796623 C\n0.203378 0.750000 0.953378 C\n0.796622 0.046622 0.750000 C\n0.750000 0.953378 0.203379 C\n0.750000 0.796623 0.046624 C\n0.250000 0.546623 0.296623 C\n0.546622 0.296622 0.250001 C\n0.250000 0.703378 0.453378 C\n0.703378 0.453378 0.250001 C\n0.953378 0.203378 0.750000 C\n0.296622 0.250000 0.546623 C\n",
"nsites": 20,
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"elements": [
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"chemical_system": "C-Sm",
"density": 7.387808888330883,
"density_atomic": 0.06605812561953234,
"volume": 302.7636617362076,
"volume_molar": 9.116426939942341,
"formula_full": "Sm8 C12",
"formula_reduced": "Sm2C3",
"formula_anonymous": "A2B3",
"energy_above_hull": 4.43673555,
"spacegroup": 220
},
{
"id": "jvasp-16835",
"created_at": "2022-09-04T14:38:30.815552Z",
"updated_at": "2022-09-04T14:38:30.815596Z",
"structure_string": "Sm1 C2\n1.0\n3.356341 -0.000000 -1.718080\n-0.879469 3.239068 -1.718080\n0.007474 0.009775 4.152019\nSm C\n1 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.601475 0.601476 0.202951 C\n0.398523 0.398523 0.797048 C\n",
"nsites": 3,
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"elements": [
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"density": 6.399123818985191,
"density_atomic": 0.06629679150169962,
"volume": 45.25105864170049,
"volume_molar": 9.083608155977824,
"formula_full": "Sm1 C2",
"formula_reduced": "SmC2",
"formula_anonymous": "AB2",
"energy_above_hull": 3.920366291666666,
"spacegroup": 139
},
{
"id": "jvasp-39085",
"created_at": "2022-09-04T14:37:50.679207Z",
"updated_at": "2022-09-04T14:37:50.679229Z",
"structure_string": "Sm1 Br1\n1.0\n1.823667 -3.158685 0.000000\n1.823667 3.158685 -0.000000\n0.000000 0.000000 4.574818\nSm Br\n1 1\ndirect\n0.333334 0.666668 0.000000 Sm\n0.666668 0.333334 0.500000 Br\n",
"nsites": 2,
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"elements": [
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"chemical_system": "Br-Sm",
"density": 7.25470016411179,
"density_atomic": 0.037946726865662216,
"volume": 52.705468038925616,
"volume_molar": 15.86998736760456,
"formula_full": "Sm1 Br1",
"formula_reduced": "SmBr",
"formula_anonymous": "AB",
"energy_above_hull": 0.0,
"spacegroup": 187
},
{
"id": "jvasp-122831",
"created_at": "2022-09-04T14:38:54.819495Z",
"updated_at": "2022-09-04T14:38:54.819521Z",
"structure_string": "Sm3 Br1\n1.0\n1.824386 -3.159928 -0.000000\n1.824386 3.159928 0.000000\n-0.000000 -0.000000 10.501887\nSm Br\n3 1\ndirect\n0.000000 0.000000 0.500000 Sm\n0.333334 0.666668 0.226343 Sm\n0.666668 0.333334 0.773657 Sm\n0.000000 0.000000 0.000000 Br\n",
"nsites": 4,
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"elements": [
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"density": 7.281808903268312,
"density_atomic": 0.03303457597069391,
"volume": 121.08525332816548,
"volume_molar": 18.229810987561773,
"formula_full": "Sm3 Br1",
"formula_reduced": "Sm3Br",
"formula_anonymous": "AB3",
"energy_above_hull": 1.0407694374999998,
"spacegroup": 164
},
{
"id": "jvasp-3918",
"created_at": "2022-09-04T14:35:44.837121Z",
"updated_at": "2022-09-04T14:35:44.837148Z",
"structure_string": "Sm2 Br6\n1.0\n4.041974 0.000000 0.000000\n-2.020987 6.372230 0.000000\n0.000000 0.000000 9.132642\nSm Br\n2 6\ndirect\n0.742789 0.485579 0.250000 Sm\n0.257209 0.514420 0.750000 Sm\n0.354448 0.708896 0.434305 Br\n0.645551 0.291104 0.565694 Br\n0.918025 0.836053 0.750000 Br\n0.081973 0.163947 0.250000 Br\n0.354448 0.708896 0.065694 Br\n0.645551 0.291104 0.934305 Br\n",
"nsites": 8,
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"elements": [
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"density": 5.507347472762404,
"density_atomic": 0.034010153722048166,
"volume": 235.2238706528911,
"volume_molar": 17.706890739796794,
"formula_full": "Sm2 Br6",
"formula_reduced": "SmBr3",
"formula_anonymous": "AB3",
"energy_above_hull": 0.0,
"spacegroup": 63
},
{
"id": "jvasp-78432",
"created_at": "2022-09-04T14:36:33.403108Z",
"updated_at": "2022-09-04T14:36:33.403126Z",
"structure_string": "Sm1 Bi1\n1.0\n-0.000000 -0.000000 3.446162\n4.171453 0.000000 0.000000\n0.000000 4.171453 0.000000\nSm Bi\n1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 2,
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"spacegroup": 123
},
{
"id": "jvasp-99878",
"created_at": "2022-09-04T14:36:35.351252Z",
"updated_at": "2022-09-04T14:36:35.351268Z",
"structure_string": "Sm4 Bi2\n1.0\n4.417521 -0.004806 -8.375228\n-0.274980 4.408957 -8.375228\n0.004520 0.004806 9.468839\nSm Bi\n4 2\ndirect\n0.322021 0.322021 -0.000000 Sm\n0.677979 0.677979 -0.000001 Sm\n0.500000 0.000000 0.500000 Sm\n-0.000000 0.500001 0.500001 Sm\n0.140099 0.140099 -0.000000 Bi\n0.859901 0.859901 -0.000001 Bi\n",
"nsites": 6,
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"formula_full": "Sm4 Bi2",
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"spacegroup": 139
},
{
"id": "jvasp-39075",
"created_at": "2022-09-04T14:37:57.686031Z",
"updated_at": "2022-09-04T14:37:57.686044Z",
"structure_string": "Sm1 Bi3\n1.0\n-2.350089 2.350089 5.582086\n2.350089 -2.350089 5.582086\n2.350089 2.350089 -5.582086\nSm Bi\n1 3\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Bi\n0.250000 0.750000 0.500000 Bi\n0.500000 0.500000 0.000000 Bi\n",
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}