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{
"id": "jvasp-69052",
"created_at": "2022-09-04T14:36:01.142887Z",
"updated_at": "2022-09-04T14:36:01.142915Z",
"structure_string": "Ba1 Mn1 Se4\n1.0\n-0.000000 4.259732 4.259732\n4.259732 0.000000 4.259732\n4.259732 4.259732 0.000000\nBa Mn Se\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Mn\n0.120980 0.626340 0.626340 Se\n0.626340 0.626340 0.626340 Se\n0.626340 0.120980 0.626340 Se\n0.626340 0.626340 0.120980 Se\n",
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{
"id": "jvasp-66077",
"created_at": "2022-09-04T14:36:08.168711Z",
"updated_at": "2022-09-04T14:36:08.168745Z",
"structure_string": "Ba4 Mn1 Si1\n1.0\n-0.000000 4.865662 4.865662\n4.865662 -0.000000 4.865662\n4.865662 4.865662 0.000000\nBa Mn Si\n4 1 1\ndirect\n0.123589 0.625470 0.625470 Ba\n0.625470 0.625470 0.625470 Ba\n0.625470 0.123589 0.625470 Ba\n0.625470 0.625470 0.123589 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Si\n",
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"elements": [
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],
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"volume": 230.38585223262265,
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"formula_full": "Ba4 Mn1 Si1",
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{
"id": "jvasp-69096",
"created_at": "2022-09-04T14:36:07.696637Z",
"updated_at": "2022-09-04T14:36:07.696663Z",
"structure_string": "Ba1 Mn2 Sn1\n1.0\n4.905414 0.000000 0.000000\n0.000000 4.905414 0.000000\n0.000000 0.000000 4.243797\nBa Mn Sn\n1 2 1\ndirect\n0.000000 0.000000 0.500000 Ba\n0.500000 0.000000 0.000000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.039170043823411375,
"volume": 102.11885434780282,
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"formula_full": "Ba1 Mn2 Sn1",
"formula_reduced": "BaMn2Sn",
"formula_anonymous": "ABC2",
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"spacegroup": 123
},
{
"id": "jvasp-18267",
"created_at": "2022-09-04T14:38:04.838909Z",
"updated_at": "2022-09-04T14:38:04.838924Z",
"structure_string": "Ba1 Mn2 Sn2\n1.0\n4.387596 -0.000000 -1.630699\n-0.606067 4.345536 -1.630699\n0.046107 0.052984 6.842090\nBa Mn Sn\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.750000 0.500000 Mn\n0.750001 0.250000 0.500000 Mn\n0.634760 0.634760 0.269518 Sn\n0.365241 0.365240 0.730482 Sn\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Sn"
],
"chemical_system": "Ba-Mn-Sn",
"density": 6.133066568794416,
"density_atomic": 0.038106098267515355,
"volume": 131.21259397639236,
"volume_molar": 15.803614208211258,
"formula_full": "Ba1 Mn2 Sn2",
"formula_reduced": "Ba(MnSn)2",
"formula_anonymous": "AB2C2",
"energy_above_hull": 1.911042770551724,
"spacegroup": 139
},
{
"id": "jvasp-64077",
"created_at": "2022-09-04T14:36:11.256060Z",
"updated_at": "2022-09-04T14:36:11.256075Z",
"structure_string": "Ba4 Mn1 Sn1\n1.0\n-0.000000 4.935329 4.935329\n4.935329 0.000000 4.935329\n4.935329 4.935329 0.000000\nBa Mn Sn\n4 1 1\ndirect\n0.124110 0.625297 0.625297 Ba\n0.625297 0.625297 0.625297 Ba\n0.625297 0.124110 0.625297 Ba\n0.625297 0.625297 0.124110 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Ba-Mn-Sn",
"density": 4.993242613331329,
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"volume": 240.42427919523726,
"volume_molar": 24.131147523920973,
"formula_full": "Ba4 Mn1 Sn1",
"formula_reduced": "Ba4MnSn",
"formula_anonymous": "ABC4",
"energy_above_hull": 0.8303138035632183,
"spacegroup": 216
},
{
"id": "jvasp-65777",
"created_at": "2022-09-04T14:36:11.588730Z",
"updated_at": "2022-09-04T14:36:11.588750Z",
"structure_string": "Ba2 Mn1 Sn1\n1.0\n0.000000 4.172384 4.172384\n4.172384 0.000000 4.172384\n4.172384 4.172384 -0.000000\nBa Mn Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.749999 0.749999 0.749999 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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],
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"density_atomic": 0.027534499185884458,
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"formula_full": "Ba2 Mn1 Sn1",
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"spacegroup": 225
},
{
"id": "jvasp-66176",
"created_at": "2022-09-04T14:36:06.770961Z",
"updated_at": "2022-09-04T14:36:06.770990Z",
"structure_string": "Ba1 Sr1 Mn1\n1.0\n0.000000 3.900738 3.900738\n3.900738 -0.000000 3.900738\n3.900738 3.900738 0.000000\nBa Sr Mn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Mn\n",
"nsites": 3,
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"elements": [
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],
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"volume": 118.7053626254735,
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"formula_full": "Ba1 Sr1 Mn1",
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"formula_anonymous": "ABC",
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"spacegroup": 216
},
{
"id": "jvasp-64361",
"created_at": "2022-09-04T14:36:14.708245Z",
"updated_at": "2022-09-04T14:36:14.708256Z",
"structure_string": "Ba4 Sr1 Mn1\n1.0\n0.000000 5.248237 5.248237\n5.248237 -0.000000 5.248237\n5.248237 5.248237 -0.000000\nBa Sr Mn\n4 1 1\ndirect\n0.130537 0.623155 0.623155 Ba\n0.623155 0.623155 0.623155 Ba\n0.623155 0.130537 0.623155 Ba\n0.623155 0.623155 0.130537 Ba\n0.000000 0.000000 0.000000 Sr\n0.250000 0.250000 0.250000 Mn\n",
"nsites": 6,
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"elements": [
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],
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"density": 3.9737523961938135,
"density_atomic": 0.020753002512389207,
"volume": 289.114791771364,
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"formula_full": "Ba4 Sr1 Mn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66398",
"created_at": "2022-09-04T14:36:19.429522Z",
"updated_at": "2022-09-04T14:36:19.429544Z",
"structure_string": "Ba4 Ta1 Mn1\n1.0\n-0.000000 4.846236 4.846236\n4.846236 -0.000000 4.846236\n4.846236 4.846236 0.000000\nBa Ta Mn\n4 1 1\ndirect\n0.125382 0.624873 0.624873 Ba\n0.624873 0.624873 0.624873 Ba\n0.624873 0.125382 0.624873 Ba\n0.624873 0.624873 0.125382 Ba\n0.000000 0.000000 0.000000 Ta\n0.250000 0.250000 0.250000 Mn\n",
"nsites": 6,
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"elements": [
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"density": 5.727727584733149,
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"volume": 227.63743003329924,
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"formula_full": "Ba4 Ta1 Mn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-65490",
"created_at": "2022-09-04T14:35:57.000773Z",
"updated_at": "2022-09-04T14:35:57.000800Z",
"structure_string": "Ba1 Ta1 Mn2\n1.0\n3.354290 0.000000 0.000000\n0.000000 3.354290 0.000000\n-0.000000 0.000000 7.482349\nBa Ta Mn\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ta\n0.000000 0.000000 0.857390 Mn\n0.000000 0.000000 0.142610 Mn\n",
"nsites": 4,
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],
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},
{
"id": "jvasp-66508",
"created_at": "2022-09-04T14:36:13.781806Z",
"updated_at": "2022-09-04T14:36:13.781831Z",
"structure_string": "Ba4 Mn1 Tc1\n1.0\n-0.000000 4.879388 4.879388\n4.879388 -0.000000 4.879388\n4.879388 4.879388 -0.000000\nBa Mn Tc\n4 1 1\ndirect\n0.123597 0.625468 0.625468 Ba\n0.625468 0.625468 0.625468 Ba\n0.625468 0.123597 0.625468 Ba\n0.625468 0.625468 0.123597 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 6,
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],
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"volume": 232.34110848938982,
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"formula_full": "Ba4 Mn1 Tc1",
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"formula_anonymous": "ABC4",
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},
{
"id": "jvasp-64511",
"created_at": "2022-09-04T14:36:20.418016Z",
"updated_at": "2022-09-04T14:36:20.418043Z",
"structure_string": "Ba4 Mn1 Te1\n1.0\n-0.000000 4.959628 4.959628\n4.959628 -0.000000 4.959628\n4.959628 4.959628 -0.000000\nBa Mn Te\n4 1 1\ndirect\n0.125284 0.624906 0.624906 Ba\n0.624906 0.624906 0.624906 Ba\n0.624906 0.125284 0.624906 Ba\n0.624906 0.624906 0.125284 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Te\n",
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}
]
}