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{
"id": "jvasp-15112",
"created_at": "2022-09-04T14:37:03.494763Z",
"updated_at": "2022-09-04T14:37:03.494777Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.221383 -3.847547 -0.000000\n2.221383 3.847547 0.000000\n-0.000000 -0.000000 7.906122\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333332 0.666666 0.611566 Mn\n0.666666 0.333332 0.388434 Mn\n0.333332 0.666666 0.269530 Sb\n0.666666 0.333332 0.730470 Sb\n",
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"volume": 135.14528080410722,
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{
"id": "jvasp-8142",
"created_at": "2022-09-04T14:37:04.709234Z",
"updated_at": "2022-09-04T14:37:04.709262Z",
"structure_string": "Sr1 Cd2 As2\n1.0\n2.252222 -3.900964 0.000000\n2.252222 3.900964 -0.000000\n-0.000000 -0.000000 7.435878\nSr Cd As\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.333333 0.666666 0.633102 Cd\n0.666666 0.333333 0.366899 Cd\n0.666666 0.333333 0.752964 As\n0.333333 0.666666 0.247037 As\n",
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{
"id": "jvasp-15361",
"created_at": "2022-09-04T14:36:49.951547Z",
"updated_at": "2022-09-04T14:36:49.951573Z",
"structure_string": "Nd1 Si2 Pd2\n1.0\n3.961575 0.000000 -1.549322\n-0.605920 3.914963 -1.549322\n-0.005235 -0.006107 5.826096\nNd Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.619724 0.619724 0.239451 Si\n0.380276 0.380274 0.760550 Si\n0.750000 0.249999 0.500000 Pd\n0.250000 0.749999 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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],
"chemical_system": "Nd-Pd-Si",
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"density_atomic": 0.055380554369894745,
"volume": 90.28439777984661,
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"formula_full": "Nd1 Si2 Pd2",
"formula_reduced": "Nd(SiPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 2.21508802,
"spacegroup": 139
},
{
"id": "jvasp-18798",
"created_at": "2022-09-04T14:36:57.544642Z",
"updated_at": "2022-09-04T14:36:57.544664Z",
"structure_string": "Sm1 Ga2 Pd2\n1.0\n3.988940 -0.000000 -1.497173\n-0.561935 3.949161 -1.497173\n-0.017108 -0.019714 6.016901\nSm Ga Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.620612 0.620613 0.241227 Ga\n0.379386 0.379388 0.758773 Ga\n0.249999 0.750000 0.500000 Pd\n0.749999 0.250001 0.500000 Pd\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Ga",
"Pd"
],
"chemical_system": "Ga-Pd-Sm",
"density": 8.82787921540693,
"density_atomic": 0.05288287509085002,
"volume": 94.5485658903806,
"volume_molar": 11.387695448960134,
"formula_full": "Sm1 Ga2 Pd2",
"formula_reduced": "Sm(GaPd)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 0.6941609849999999,
"spacegroup": 139
},
{
"id": "jvasp-15300",
"created_at": "2022-09-04T14:36:58.921803Z",
"updated_at": "2022-09-04T14:36:58.921823Z",
"structure_string": "Nd1 Si2 Ni2\n1.0\n3.800371 0.000000 -1.468783\n-0.567661 3.757737 -1.468783\n-0.015854 -0.018429 5.609964\nNd Si Ni\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.630790 0.630790 0.261581 Si\n0.369211 0.369211 0.738420 Si\n0.750000 0.250000 0.500000 Ni\n0.250001 0.750001 0.500001 Ni\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"chemical_system": "Nd-Ni-Si",
"density": 6.603998801534447,
"density_atomic": 0.06257116960969684,
"volume": 79.9090065151209,
"volume_molar": 9.624465704516302,
"formula_full": "Nd1 Si2 Ni2",
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"formula_anonymous": "AB2C2",
"energy_above_hull": 1.9690327,
"spacegroup": 139
},
{
"id": "jvasp-15168",
"created_at": "2022-09-04T14:36:50.283026Z",
"updated_at": "2022-09-04T14:36:50.283056Z",
"structure_string": "Er1 Si2 Pd2\n1.0\n3.875181 0.000000 -1.479842\n-0.565117 3.833753 -1.479842\n-0.016207 -0.018771 5.771343\nEr Si Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Er\n0.616296 0.616297 0.232593 Si\n0.383702 0.383703 0.767406 Si\n0.749999 0.250000 0.500000 Pd\n0.249999 0.749999 0.500000 Pd\n",
"nsites": 5,
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"elements": [
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"density": 8.47038773667534,
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"volume": 85.52658993978105,
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"formula_full": "Er1 Si2 Pd2",
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"spacegroup": 139
},
{
"id": "jvasp-104634",
"created_at": "2022-09-04T14:36:50.577510Z",
"updated_at": "2022-09-04T14:36:50.577529Z",
"structure_string": "Nd4 Mg2 Si4\n1.0\n7.364960 -0.000000 0.000000\n0.000000 7.364960 0.000000\n-0.000000 -0.000000 4.376877\nNd Mg Si\n4 2 4\ndirect\n0.680098 0.180098 0.500000 Nd\n0.319903 0.819903 0.500000 Nd\n0.180098 0.319903 0.500000 Nd\n0.819903 0.680098 0.500000 Nd\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.115792 0.615792 -0.000000 Si\n0.884208 0.384208 -0.000000 Si\n0.615792 0.884208 -0.000000 Si\n0.384208 0.115792 -0.000000 Si\n",
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"elements": [
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],
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"density": 5.16123045955524,
"density_atomic": 0.04212063141395043,
"volume": 237.41334505939963,
"volume_molar": 14.297365822501552,
"formula_full": "Nd4 Mg2 Si4",
"formula_reduced": "Nd2MgSi2",
"formula_anonymous": "AB2C2",
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"spacegroup": 127
},
{
"id": "jvasp-7755",
"created_at": "2022-09-04T14:37:03.085062Z",
"updated_at": "2022-09-04T14:37:03.085090Z",
"structure_string": "Lu2 S1 O2\n1.0\n1.844966 -3.195574 -0.000000\n1.844966 3.195574 -0.000000\n-0.000000 0.000000 6.462047\nLu S O\n2 1 2\ndirect\n0.666668 0.333334 0.283421 Lu\n0.333334 0.666668 0.716580 Lu\n0.000000 0.000000 0.000000 S\n0.666668 0.333334 0.629460 O\n0.333334 0.666668 0.370540 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 9.022144457934113,
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"volume": 76.19690901556099,
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"formula_full": "Lu2 S1 O2",
"formula_reduced": "Lu2SO2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.3016896999999996,
"spacegroup": 164
},
{
"id": "jvasp-107583",
"created_at": "2022-09-04T14:36:58.660989Z",
"updated_at": "2022-09-04T14:36:58.661013Z",
"structure_string": "Ba2 Mn4 N4\n1.0\n4.397121 -0.000000 4.720846\n4.397122 4.397121 0.000000\n0.000000 -0.000000 9.441692\nBa Mn N\n2 4 4\ndirect\n-0.000000 0.000000 0.250000 Ba\n-0.000000 0.000000 0.750000 Ba\n0.729057 0.500000 0.635472 Mn\n0.270942 0.500000 0.364528 Mn\n0.270942 0.229057 0.864528 Mn\n0.729057 0.770942 0.135472 Mn\n0.680342 0.500000 0.159829 N\n0.319657 0.500000 0.840171 N\n0.319657 0.180343 0.340171 N\n0.680342 0.819657 0.659829 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
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"Mn",
"N"
],
"chemical_system": "Ba-Mn-N",
"density": 5.006876536673334,
"density_atomic": 0.054778903840769215,
"volume": 182.55202822363702,
"volume_molar": 10.99354009986235,
"formula_full": "Ba2 Mn4 N4",
"formula_reduced": "Ba(MnN)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 3.872807390551724,
"spacegroup": 140
},
{
"id": "jvasp-15216",
"created_at": "2022-09-04T14:36:51.466573Z",
"updated_at": "2022-09-04T14:36:51.466593Z",
"structure_string": "Nd1 Fe2 Si2\n1.0\n3.779186 0.000000 -1.398730\n-0.517689 3.743560 -1.398730\n-0.054437 -0.062483 5.657719\nNd Fe Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Nd\n0.250000 0.750000 0.500000 Fe\n0.750000 0.250000 0.500000 Fe\n0.640498 0.640498 0.280997 Si\n0.359502 0.359503 0.719004 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 6.528623211007706,
"density_atomic": 0.06298607824865261,
"volume": 79.3826213510437,
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"formula_full": "Nd1 Fe2 Si2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-76249",
"created_at": "2022-09-04T14:37:04.305249Z",
"updated_at": "2022-09-04T14:37:04.305269Z",
"structure_string": "Tb4 Mg2 Ge4\n1.0\n-0.000000 -0.000000 4.252242\n7.266039 0.000000 0.000000\n-0.000000 7.266039 0.000000\nTb Mg Ge\n4 2 4\ndirect\n0.500000 0.177407 0.677407 Tb\n0.500000 0.822593 0.322593 Tb\n0.500000 0.322593 0.177407 Tb\n0.500000 0.677407 0.822593 Tb\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.375944 0.875944 Ge\n0.000000 0.624057 0.124057 Ge\n0.000000 0.124057 0.375944 Ge\n0.000000 0.875944 0.624057 Ge\n",
"nsites": 10,
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],
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"density": 7.210792612773039,
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"volume": 224.49848879906867,
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"formula_full": "Tb4 Mg2 Ge4",
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{
"id": "jvasp-15473",
"created_at": "2022-09-04T14:36:57.636221Z",
"updated_at": "2022-09-04T14:36:57.636246Z",
"structure_string": "Tm1 Si2 Cu2\n1.0\n3.713134 0.000000 -1.357565\n-0.496341 3.679811 -1.357565\n-0.009360 -0.010707 5.731161\nTm Si Cu\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Tm\n0.616562 0.616563 0.233128 Si\n0.383436 0.383436 0.766873 Si\n0.749999 0.250000 0.500000 Cu\n0.250000 0.749999 0.500000 Cu\n",
"nsites": 5,
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