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{
"id": "jvasp-64356",
"created_at": "2022-09-04T14:36:13.691519Z",
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"structure_string": "Ba4 Mn1 Ni1\n1.0\n-0.000000 4.836123 4.836123\n4.836123 -0.000000 4.836123\n4.836123 4.836123 -0.000000\nBa Mn Ni\n4 1 1\ndirect\n0.124545 0.625151 0.625151 Ba\n0.625151 0.625151 0.625151 Ba\n0.625151 0.124545 0.625151 Ba\n0.625151 0.625151 0.124545 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Ni\n",
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{
"id": "jvasp-66070",
"created_at": "2022-09-04T14:36:03.673181Z",
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"structure_string": "Ba4 Mn1 Os1\n1.0\n0.000000 4.689614 4.689614\n4.689614 0.000000 4.689614\n4.689614 4.689614 0.000000\nBa Mn Os\n4 1 1\ndirect\n0.123500 0.625499 0.625499 Ba\n0.625499 0.625499 0.625499 Ba\n0.625499 0.123500 0.625499 Ba\n0.625499 0.625499 0.123500 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Os\n",
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{
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"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",
"nsites": 6,
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"elements": [
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"density": 4.658149331921614,
"density_atomic": 0.02649668413216791,
"volume": 226.44342854643415,
"volume_molar": 22.72790334806048,
"formula_full": "Ba4 Mn1 P1",
"formula_reduced": "Ba4MnP",
"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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": [
"Ba",
"Mn",
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],
"chemical_system": "Ba-Mn-Pd",
"density": 5.3790832518052065,
"density_atomic": 0.027349214226204392,
"volume": 219.38473077779165,
"volume_molar": 22.019428822309425,
"formula_full": "Ba4 Mn1 Pd1",
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"spacegroup": 216
},
{
"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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],
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"density": 6.172947443374902,
"density_atomic": 0.027904136960796307,
"volume": 215.0218803910564,
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"formula_full": "Ba4 Mn1 Pt1",
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"formula_anonymous": "ABC4",
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"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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"formula_full": "Ba4 Mn1 Re1",
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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",
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"elements": [
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],
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"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-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",
"nsites": 6,
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"elements": [
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],
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"density": 4.557620285015723,
"density_atomic": 0.02604326585966636,
"volume": 230.38585223262265,
"volume_molar": 23.1236005209569,
"formula_full": "Ba4 Mn1 Si1",
"formula_reduced": "Ba4MnSi",
"formula_anonymous": "ABC4",
"energy_above_hull": 1.3775432868965514,
"spacegroup": 216
},
{
"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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"Mn",
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],
"chemical_system": "Ba-Mn-Sn",
"density": 4.993242613331329,
"density_atomic": 0.024955882243189266,
"volume": 240.42427919523726,
"volume_molar": 24.131147523920973,
"formula_full": "Ba4 Mn1 Sn1",
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"formula_anonymous": "ABC4",
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"spacegroup": 216
},
{
"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",
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"elements": [
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"Tc"
],
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"density": 5.018943912549567,
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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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"formula_full": "Ba4 Mn1 Te1",
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},
{
"id": "jvasp-64424",
"created_at": "2022-09-04T14:35:41.064731Z",
"updated_at": "2022-09-04T14:35:41.064760Z",
"structure_string": "Ba4 Mn1 Tl1\n1.0\n-0.000000 4.975966 4.975966\n4.975966 0.000000 4.975966\n4.975966 4.975966 0.000000\nBa Mn Tl\n4 1 1\ndirect\n0.125124 0.624959 0.624959 Ba\n0.624959 0.624959 0.624959 Ba\n0.624959 0.125124 0.624959 Ba\n0.624959 0.624959 0.125124 Ba\n0.250000 0.250000 0.250000 Mn\n0.000000 0.000000 0.000000 Tl\n",
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"elements": [
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],
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}