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{
"id": "jvasp-66125",
"created_at": "2022-09-04T14:36:19.273423Z",
"updated_at": "2022-09-04T14:36:19.273442Z",
"structure_string": "Ba4 Mn1 P1\n1.0\n0.000000 4.837748 4.837748\n4.837748 0.000000 4.837748\n4.837748 4.837748 -0.000000\nBa Mn P\n4 1 1\ndirect\n0.123294 0.625569 0.625569 Ba\n0.625569 0.625569 0.625569 Ba\n0.625569 0.123294 0.625569 Ba\n0.625569 0.625569 0.123294 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 P\n",
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{
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"created_at": "2022-09-04T14:36:00.822921Z",
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"structure_string": "Ba1 Mn1 Pb1\n1.0\n0.000000 3.886339 3.886339\n3.886339 0.000000 3.886339\n3.886339 3.886339 0.000000\nBa Mn Pb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Pb\n",
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{
"id": "jvasp-69251",
"created_at": "2022-09-04T14:35:51.637783Z",
"updated_at": "2022-09-04T14:35:51.637815Z",
"structure_string": "Ba2 Mn1 Pb1\n1.0\n0.000000 4.201343 4.201343\n4.201343 -0.000000 4.201343\n4.201343 4.201343 -0.000000\nBa Mn Pb\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 Pb\n",
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"elements": [
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"chemical_system": "Ba-Mn-Pb",
"density": 6.009810191964793,
"density_atomic": 0.02696904566043021,
"volume": 148.31818857679934,
"volume_molar": 22.329825221942745,
"formula_full": "Ba2 Mn1 Pb1",
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"formula_anonymous": "ABC2",
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"spacegroup": 225
},
{
"id": "jvasp-63987",
"created_at": "2022-09-04T14:36:05.796183Z",
"updated_at": "2022-09-04T14:36:05.796218Z",
"structure_string": "Ba4 Mn1 Pd1\n1.0\n-0.000000 4.786949 4.786949\n4.786949 0.000000 4.786949\n4.786949 4.786949 0.000000\nBa Mn Pd\n4 1 1\ndirect\n0.124685 0.625105 0.625105 Ba\n0.625105 0.625105 0.625105 Ba\n0.625105 0.124685 0.625105 Ba\n0.625105 0.625105 0.124685 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 6,
"nelements": 3,
"elements": [
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"Mn",
"Pd"
],
"chemical_system": "Ba-Mn-Pd",
"density": 5.3790832518052065,
"density_atomic": 0.027349214226204392,
"volume": 219.38473077779165,
"volume_molar": 22.019428822309425,
"formula_full": "Ba4 Mn1 Pd1",
"formula_reduced": "Ba4MnPd",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.1132428035632185,
"spacegroup": 216
},
{
"id": "jvasp-11425",
"created_at": "2022-09-04T14:36:33.317127Z",
"updated_at": "2022-09-04T14:36:33.317153Z",
"structure_string": "Ba2 Pr4 Mn2 S10\n1.0\n7.114245 0.000000 -3.529943\n-1.751486 6.895272 -3.529943\n-0.034297 -0.044099 8.864870\nBa Pr Mn S\n2 4 2 10\ndirect\n0.249999 0.250000 0.500000 Ba\n0.749999 0.750000 0.500000 Ba\n0.339099 0.160900 0.000000 Pr\n0.160900 0.660900 -0.000000 Pr\n0.660899 0.839099 -0.000000 Pr\n0.839099 0.339100 0.000000 Pr\n0.249999 0.750000 0.500000 Mn\n0.749999 0.250000 0.500000 Mn\n0.499999 0.500000 -0.000000 S\n0.483742 0.983743 0.269947 S\n0.983742 0.786203 0.269947 S\n0.286203 0.483743 0.269947 S\n0.016257 0.213796 0.730052 S\n0.713795 0.516257 0.730052 S\n0.516256 0.016257 0.730052 S\n0.213796 0.713796 0.730052 S\n0.786203 0.286203 0.269947 S\n0.000000 0.000000 0.000000 S\n",
"nsites": 18,
"nelements": 4,
"elements": [
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"S"
],
"chemical_system": "Ba-Mn-Pr-S",
"density": 4.869798357766289,
"density_atomic": 0.04160423660062018,
"volume": 432.64824620605293,
"volume_molar": 14.474825767888815,
"formula_full": "Ba2 Pr4 Mn2 S10",
"formula_reduced": "BaPr2MnS5",
"formula_anonymous": "ABC2D5",
"energy_above_hull": 2.003039212375479,
"spacegroup": 140
},
{
"id": "jvasp-66637",
"created_at": "2022-09-04T14:36:22.415257Z",
"updated_at": "2022-09-04T14:36:22.415282Z",
"structure_string": "Ba4 Mn1 Pt1\n1.0\n0.000000 4.755004 4.755004\n4.755004 -0.000000 4.755004\n4.755004 4.755004 -0.000000\nBa Mn Pt\n4 1 1\ndirect\n0.123422 0.625526 0.625526 Ba\n0.625526 0.625526 0.625526 Ba\n0.625526 0.123422 0.625526 Ba\n0.625526 0.625526 0.123422 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 6,
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"elements": [
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"Mn",
"Pt"
],
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"density": 6.172947443374902,
"density_atomic": 0.027904136960796307,
"volume": 215.0218803910564,
"volume_molar": 21.581533836580427,
"formula_full": "Ba4 Mn1 Pt1",
"formula_reduced": "Ba4MnPt",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.2805654202298848,
"spacegroup": 216
},
{
"id": "jvasp-66303",
"created_at": "2022-09-04T14:36:03.397057Z",
"updated_at": "2022-09-04T14:36:03.397085Z",
"structure_string": "Ba4 Mn1 Re1\n1.0\n0.000000 4.744189 4.744189\n4.744189 -0.000000 4.744189\n4.744189 4.744189 0.000000\nBa Mn Re\n4 1 1\ndirect\n0.124093 0.625302 0.625302 Ba\n0.625302 0.625302 0.625302 Ba\n0.625302 0.124093 0.625302 Ba\n0.625302 0.625302 0.124093 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Re\n",
"nsites": 6,
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"elements": [
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"Mn",
"Re"
],
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"density": 6.146235998466889,
"density_atomic": 0.02809540572247741,
"volume": 213.55804786260012,
"volume_molar": 21.43461041098992,
"formula_full": "Ba4 Mn1 Re1",
"formula_reduced": "Ba4MnRe",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-66212",
"created_at": "2022-09-04T14:35:48.914982Z",
"updated_at": "2022-09-04T14:35:48.915008Z",
"structure_string": "Ba4 Mn1 Rh1\n1.0\n0.000000 4.763202 4.763202\n4.763202 0.000000 4.763202\n4.763202 4.763202 0.000000\nBa Mn Rh\n4 1 1\ndirect\n0.123819 0.625393 0.625393 Ba\n0.625393 0.625393 0.625393 Ba\n0.625393 0.123819 0.625393 Ba\n0.625393 0.625393 0.123819 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 6,
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"elements": [
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"Mn",
"Rh"
],
"chemical_system": "Ba-Mn-Rh",
"density": 5.432936104133068,
"density_atomic": 0.027760306430906805,
"volume": 216.13594269694116,
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"formula_full": "Ba4 Mn1 Rh1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"id": "jvasp-10239",
"created_at": "2022-09-04T14:38:13.111926Z",
"updated_at": "2022-09-04T14:38:13.111944Z",
"structure_string": "Ba4 Mn4 S8\n1.0\n4.151679 0.000000 0.000000\n0.000000 7.065082 0.000000\n0.000000 0.000000 14.010768\nBa Mn S\n4 4 8\ndirect\n0.250000 0.715323 0.627937 Ba\n0.750000 0.284677 0.372063 Ba\n0.250000 0.215323 0.872063 Ba\n0.750000 0.784677 0.127937 Ba\n0.750000 0.230170 0.634773 Mn\n0.750000 0.730170 0.865227 Mn\n0.250000 0.769830 0.365227 Mn\n0.250000 0.269830 0.134773 Mn\n0.250000 0.527833 0.244241 S\n0.750000 0.472167 0.755760 S\n0.250000 0.027833 0.255759 S\n0.750000 0.972167 0.744241 S\n0.250000 0.755223 0.953120 S\n0.750000 0.744777 0.453120 S\n0.250000 0.255223 0.546880 S\n0.750000 0.244777 0.046880 S\n",
"nsites": 16,
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"elements": [
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],
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"density": 4.143962348481079,
"density_atomic": 0.038932928013982994,
"volume": 410.9631824827946,
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"formula_full": "Ba4 Mn4 S8",
"formula_reduced": "BaMnS2",
"formula_anonymous": "ABC2",
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"spacegroup": 62
},
{
"id": "jvasp-56747",
"created_at": "2022-09-04T14:36:55.681253Z",
"updated_at": "2022-09-04T14:36:55.681261Z",
"structure_string": "Ba1 Mn2 Sb2\n1.0\n4.317847 -0.000000 -1.263777\n-0.369891 4.301975 -1.263777\n-0.218771 -0.238388 7.260653\nBa Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.250000 0.749999 0.499999 Mn\n0.750001 0.249999 0.499999 Mn\n0.636219 0.636218 0.272436 Sb\n0.363781 0.363780 0.727562 Sb\n",
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],
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"formula_full": "Ba1 Mn2 Sb2",
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"formula_anonymous": "AB2C2",
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"spacegroup": 139
},
{
"id": "jvasp-66072",
"created_at": "2022-09-04T14:36:05.226945Z",
"updated_at": "2022-09-04T14:36:05.226965Z",
"structure_string": "Ba1 Mn1 Sb1\n1.0\n0.000000 3.874660 3.874660\n3.874660 0.000000 3.874660\n3.874660 3.874660 0.000000\nBa Mn Sb\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Sb\n",
"nsites": 3,
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"formula_full": "Ba1 Mn1 Sb1",
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"spacegroup": 216
},
{
"id": "jvasp-69206",
"created_at": "2022-09-04T14:35:46.244847Z",
"updated_at": "2022-09-04T14:35:46.244878Z",
"structure_string": "Ba1 Sc4 Mn1\n1.0\n0.000000 4.253090 4.253090\n4.253090 0.000000 4.253090\n4.253090 4.253090 0.000000\nBa Sc Mn\n1 4 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.114206 0.628598 0.628598 Sc\n0.628598 0.628598 0.628598 Sc\n0.628598 0.114206 0.628598 Sc\n0.628598 0.628598 0.114206 Sc\n0.000000 0.000000 0.000000 Mn\n",
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}
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}