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{
"id": "jvasp-13292",
"created_at": "2022-09-04T14:36:37.247685Z",
"updated_at": "2022-09-04T14:36:37.247695Z",
"structure_string": "Sm4 Cd2 S8\n1.0\n7.360284 0.142972 0.000000\n-2.318633 6.987000 -0.000000\n-2.520826 -3.564986 5.927102\nSm Cd S\n4 2 8\ndirect\n0.111766 0.749999 0.861766 Sm\n0.250000 0.611766 0.361766 Sm\n0.388233 0.249999 0.638233 Sm\n0.750000 0.888233 0.138234 Sm\n0.625000 0.375000 0.250000 Cd\n0.874999 0.124999 0.750000 Cd\n0.007947 0.881280 0.511908 S\n0.492052 0.003960 0.873333 S\n0.118720 0.130628 0.126667 S\n0.381280 0.507947 0.011908 S\n0.630627 0.618719 0.626667 S\n0.503961 0.992052 0.373333 S\n0.869371 0.496038 0.988091 S\n0.996038 0.369371 0.488092 S\n",
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{
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"structure_string": "Sm4 Cd2 Rh4\n1.0\n7.592896 0.000000 0.000000\n0.000000 7.592896 0.000000\n-0.000000 -0.000000 3.819017\nSm Cd Rh\n4 2 4\ndirect\n0.666229 0.166229 0.500000 Sm\n0.333772 0.833772 0.500000 Sm\n0.166229 0.333772 0.500000 Sm\n0.833772 0.666229 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 -0.000000 Cd\n0.135216 0.635217 -0.000000 Rh\n0.864784 0.364784 -0.000000 Rh\n0.635217 0.864784 -0.000000 Rh\n0.364784 0.135216 -0.000000 Rh\n",
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"formula_full": "Sm4 Cd2 Rh4",
"formula_reduced": "Sm2CdRh2",
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"spacegroup": 127
},
{
"id": "jvasp-21846",
"created_at": "2022-09-04T14:37:37.228260Z",
"updated_at": "2022-09-04T14:37:37.228280Z",
"structure_string": "Sm4 Cd2 Pd4\n1.0\n7.763739 0.000000 0.000000\n-0.000000 7.763739 0.000000\n0.000000 -0.000000 3.818958\nSm Cd Pd\n4 2 4\ndirect\n0.326974 0.826974 0.500000 Sm\n0.826974 0.673026 0.500000 Sm\n0.173026 0.326974 0.500000 Sm\n0.673026 0.173026 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.500000 0.500000 0.000000 Cd\n0.371977 0.128023 0.000000 Pd\n0.871977 0.371977 0.000000 Pd\n0.128023 0.628023 0.000000 Pd\n0.628023 0.871977 0.000000 Pd\n",
"nsites": 10,
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"density": 9.031223098885109,
"density_atomic": 0.04344234537641888,
"volume": 230.19015003338518,
"volume_molar": 13.86237485066564,
"formula_full": "Sm4 Cd2 Pd4",
"formula_reduced": "Sm2CdPd2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.7945197800000001,
"spacegroup": 127
},
{
"id": "jvasp-105305",
"created_at": "2022-09-04T14:36:57.484786Z",
"updated_at": "2022-09-04T14:36:57.484824Z",
"structure_string": "Sm2 Cd1 Ni2\n1.0\n7.439722 0.014425 0.000000\n-6.407666 3.780408 0.000000\n0.000000 0.000000 3.745849\nSm Cd Ni\n2 1 2\ndirect\n0.636847 0.363152 0.500000 Sm\n0.363152 0.636848 0.500000 Sm\n0.000000 0.000000 0.000000 Cd\n0.799510 0.200488 -0.000000 Ni\n0.200489 0.799511 -0.000000 Ni\n",
"nsites": 5,
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"elements": [
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],
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"density": 8.334479545264198,
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"volume": 105.69892548686556,
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"formula_full": "Sm2 Cd1 Ni2",
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"spacegroup": 65
},
{
"id": "jvasp-37262",
"created_at": "2022-09-04T14:37:46.000674Z",
"updated_at": "2022-09-04T14:37:46.000696Z",
"structure_string": "Sm2 Cd1 Ir1\n1.0\n-0.000000 3.616856 3.616856\n3.616856 0.000000 3.616856\n3.616856 3.616856 -0.000000\nSm Cd Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Sm\n0.500001 0.500001 0.500001 Sm\n0.250000 0.250000 0.250000 Cd\n0.750002 0.750002 0.750002 Ir\n",
"nsites": 4,
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"elements": [
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],
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"density": 10.62259341191308,
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"volume": 94.62886923271068,
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"formula_full": "Sm2 Cd1 Ir1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-109303",
"created_at": "2022-09-04T14:37:59.849657Z",
"updated_at": "2022-09-04T14:37:59.849681Z",
"structure_string": "Sm2 Cd1 In1\n1.0\n4.659628 0.000000 2.690237\n1.553209 4.393139 2.690237\n-0.000000 -0.000000 5.380475\nSm Cd In\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Sm\n0.250000 0.250000 0.250000 Sm\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
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"elements": [
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"density": 7.959655293605596,
"density_atomic": 0.03631726897540258,
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"formula_full": "Sm2 Cd1 In1",
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{
"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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"density": 7.387808888330883,
"density_atomic": 0.06605812561953234,
"volume": 302.7636617362076,
"volume_molar": 9.116426939942341,
"formula_full": "Sm8 C12",
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"formula_anonymous": "A2B3",
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"spacegroup": 220
},
{
"id": "jvasp-92573",
"created_at": "2022-09-04T14:35:55.676343Z",
"updated_at": "2022-09-04T14:35:55.676374Z",
"structure_string": "Sm2 Bi1 O2\n1.0\n3.962539 -0.000000 0.000000\n-0.000000 3.962539 0.000000\n-1.981271 -1.981271 6.869360\nSm Bi O\n2 1 2\ndirect\n0.665561 0.665561 0.331123 Sm\n0.334439 0.334439 0.668877 Sm\n0.000000 0.000000 0.000000 Bi\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n",
"nsites": 5,
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"density_atomic": 0.04635607193797143,
"volume": 107.8607351953903,
"volume_molar": 12.991050596474532,
"formula_full": "Sm2 Bi1 O2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"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",
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},
{
"id": "jvasp-112574",
"created_at": "2022-09-04T14:38:41.547522Z",
"updated_at": "2022-09-04T14:38:41.547574Z",
"structure_string": "Sm4 Be4 Si2 O14\n1.0\n7.428340 -0.000000 0.000000\n0.000000 7.428340 0.000000\n-0.000000 -0.000000 4.841892\nSm Be Si O\n4 4 2 14\ndirect\n0.159829 0.340171 0.506047 Sm\n0.840171 0.659829 0.506047 Sm\n0.659829 0.159829 0.493952 Sm\n0.340171 0.840171 0.493952 Sm\n0.635931 0.864069 0.961951 Be\n0.364069 0.135931 0.961951 Be\n0.135931 0.635931 0.038049 Be\n0.864069 0.364069 0.038049 Be\n0.000000 0.000000 0.000000 Si\n0.500000 0.500000 -0.000000 Si\n0.578257 0.664061 0.805024 O\n0.835939 0.921743 0.805024 O\n0.421743 0.335939 0.805024 O\n0.164061 0.078257 0.805024 O\n0.921743 0.164061 0.194976 O\n0.078257 0.835939 0.194976 O\n0.500000 0.000000 0.826567 O\n0.141135 0.641135 0.710781 O\n0.358865 0.141135 0.289218 O\n0.641135 0.858865 0.289218 O\n0.335939 0.578257 0.194976 O\n-0.000000 0.500000 0.173433 O\n0.858865 0.358865 0.710781 O\n0.664061 0.421743 0.194976 O\n",
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"formula_full": "Sm4 Be4 Si2 O14",
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},
{
"id": "jvasp-49193",
"created_at": "2022-09-04T14:37:06.337440Z",
"updated_at": "2022-09-04T14:37:06.337465Z",
"structure_string": "Sm4 Be4 Ge2 O14\n1.0\n7.553194 0.000000 -0.000000\n0.000000 7.553194 0.000000\n-0.000000 0.000000 4.877827\nSm Be Ge O\n4 4 2 14\ndirect\n0.658726 0.841273 0.504173 Sm\n0.158726 0.658726 0.495827 Sm\n0.841273 0.341274 0.495827 Sm\n0.341274 0.158726 0.504173 Sm\n0.365547 0.865547 0.044144 Be\n0.865547 0.634452 0.955857 Be\n0.634452 0.134452 0.044144 Be\n0.134452 0.365547 0.955857 Be\n0.500000 0.500000 0.000000 Ge\n0.000000 0.000000 0.000000 Ge\n0.857902 0.642098 0.281821 O\n0.357902 0.857902 0.718180 O\n0.642098 0.142098 0.718180 O\n0.142098 0.357902 0.281821 O\n0.500000 0.000000 0.176662 O\n0.000000 0.500000 0.823339 O\n0.173215 0.920850 0.211280 O\n0.326785 0.420850 0.788721 O\n0.420850 0.673215 0.211280 O\n0.579149 0.326785 0.211280 O\n0.079150 0.173215 0.788721 O\n0.920850 0.826784 0.788721 O\n0.673215 0.579149 0.788721 O\n0.826784 0.079150 0.211280 O\n",
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{
"id": "jvasp-37270",
"created_at": "2022-09-04T14:38:00.706934Z",
"updated_at": "2022-09-04T14:38:00.706959Z",
"structure_string": "Sm2 Au2 O5\n1.0\n4.194027 -0.000000 0.000000\n0.000000 4.194027 0.000000\n0.000000 -0.000000 7.085753\nSm Au O\n2 2 5\ndirect\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.500000 Sm\n0.500000 0.500000 0.191844 Au\n0.500000 0.500000 0.808155 Au\n0.500000 0.000000 0.226436 O\n0.500000 0.000000 0.773564 O\n0.500000 0.500000 0.500000 O\n0.000000 0.500000 0.226436 O\n0.000000 0.500000 0.773564 O\n",
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"formula_full": "Sm2 Au2 O5",
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}