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{
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{
"id": "mp-999550",
"created_at": "2022-09-04T14:42:58.506134Z",
"structure_string": "Mn3 Ga1\n1.0\n0.000000 2.879977 2.879977\n2.879977 0.000000 2.879977\n2.879977 2.879977 0.000000\nMn Ga\n3 1\ndirect\n0.750000 0.750000 0.750000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Ga\n",
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{
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"spacegroup": 187
},
{
"id": "mp-999545",
"created_at": "2022-09-04T14:46:18.719040Z",
"structure_string": "Mn3 Fe1\n1.0\n5.060025 0.000000 0.000000\n0.000000 2.536337 0.000000\n0.000000 0.000000 3.512914\nMn Fe\n3 1\ndirect\n0.500000 0.000000 0.000000 Mn\n0.752784 0.500000 0.500000 Mn\n0.247216 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Fe-Mn",
"density": 8.1272547155484,
"density_atomic": 0.08872231264084314,
"volume": 45.084487553794986,
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"formula_full": "Mn3 Fe1",
"formula_reduced": "Mn3Fe",
"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:37:27.278000Z",
"spacegroup": 47
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{
"id": "mp-999544",
"created_at": "2022-09-04T14:45:20.309807Z",
"structure_string": "Y1 Ag2\n1.0\n-1.883551 1.883551 4.625565\n1.883551 -1.883551 4.625565\n1.883551 1.883551 -4.625565\nY Ag\n1 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.669293 0.669293 0.000000 Ag\n0.330707 0.330707 0.000000 Ag\n",
"nsites": 3,
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"elements": [
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"density": 7.706544393067641,
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"volume": 65.6416587850938,
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"formula_full": "Y1 Ag2",
"formula_reduced": "YAg2",
"formula_anonymous": "AB2",
"energy": -13.11300965,
"energy_per_atom": -4.371003216666667,
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"updated_at": "2021-11-28T01:36:57.031000Z",
"spacegroup": 139
},
{
"id": "mp-999543",
"created_at": "2022-09-04T14:42:03.014890Z",
"structure_string": "Mn1 Co3\n1.0\n3.502105 0.000000 0.000000\n0.000000 3.502105 0.000000\n0.000000 0.000000 3.502105\nMn Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Co"
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"chemical_system": "Co-Mn",
"density": 8.958971802910327,
"density_atomic": 0.09312633305284378,
"volume": 42.9524052850898,
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"formula_full": "Mn1 Co3",
"formula_reduced": "MnCo3",
"formula_anonymous": "AB3",
"energy": -30.15031684,
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"updated_at": "2021-11-28T01:35:44.685000Z",
"spacegroup": 221
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{
"id": "mp-999542",
"created_at": "2022-09-04T14:42:07.350853Z",
"structure_string": "Mn1 Fe3\n1.0\n2.827695 0.000000 0.000000\n0.000000 2.827695 0.000000\n0.000000 0.000000 5.693852\nMn Fe\n1 3\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.747267 Fe\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.252733 Fe\n",
"nsites": 4,
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"elements": [
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"Fe"
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"chemical_system": "Fe-Mn",
"density": 8.114377240341573,
"density_atomic": 0.08785949225977344,
"volume": 45.52723783303041,
"volume_molar": 6.854285866112663,
"formula_full": "Mn1 Fe3",
"formula_reduced": "MnFe3",
"formula_anonymous": "AB3",
"energy": -34.36719547,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:38.834000Z",
"spacegroup": 123
},
{
"id": "mp-999540",
"created_at": "2022-09-04T14:42:25.348682Z",
"structure_string": "Mn2 Se2\n1.0\n2.102293 -3.641278 0.000000\n2.102293 3.641278 0.000000\n0.000000 0.000000 6.839229\nMn Se\n2 2\ndirect\n0.666667 0.333333 0.499884 Mn\n0.333333 0.666667 0.999884 Mn\n0.666667 0.333333 0.876116 Se\n0.333333 0.666667 0.376116 Se\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Se"
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"chemical_system": "Mn-Se",
"density": 4.24687136316545,
"density_atomic": 0.03820109120702051,
"volume": 104.7090508049385,
"volume_molar": 15.764316069833274,
"formula_full": "Mn2 Se2",
"formula_reduced": "MnSe",
"formula_anonymous": "AB",
"energy": -27.68891784,
"energy_per_atom": -6.92222946,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 9.9998838,
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"updated_at": "2021-11-28T01:35:44.152000Z",
"spacegroup": 186
},
{
"id": "mp-999539",
"created_at": "2022-09-04T14:48:31.026842Z",
"structure_string": "Mn4 O4\n1.0\n-1.733344 -3.003434 -0.000003\n-5.111075 2.952070 -0.000013\n-0.000013 0.000002 -5.454520\nMn O\n4 4\ndirect\n0.499904 0.829600 0.498417 Mn\n0.500095 0.170395 0.998430 Mn\n0.999782 0.329531 0.498371 Mn\n0.000219 0.670479 0.998363 Mn\n0.000054 0.334426 0.115148 O\n0.500086 0.834389 0.115200 O\n0.499915 0.165608 0.615203 O\n0.999947 0.665573 0.615147 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mn",
"O"
],
"chemical_system": "Mn-O",
"density": 4.220446787357943,
"density_atomic": 0.07165785187877176,
"volume": 111.64163856787277,
"volume_molar": 8.404020776659683,
"formula_full": "Mn4 O4",
"formula_reduced": "MnO",
"formula_anonymous": "AB",
"energy": -72.23203113,
"energy_per_atom": -9.02900389125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:40:02.590000Z",
"spacegroup": 186
},
{
"id": "mp-999517",
"created_at": "2022-09-04T14:45:24.122581Z",
"structure_string": "Mn2 N2\n1.0\n1.475381 -2.555436 0.000000\n1.475381 2.555436 0.000000\n0.000000 0.000000 5.279154\nMn N\n2 2\ndirect\n0.333333 0.666667 0.487772 Mn\n0.666667 0.333333 0.987772 Mn\n0.333333 0.666667 0.134228 N\n0.666667 0.333333 0.634228 N\n",
"nsites": 4,
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"elements": [
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"density": 5.7519717049263335,
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"volume": 39.80737332599283,
"volume_molar": 5.993140136374954,
"formula_full": "Mn2 N2",
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"energy": -36.5518825,
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"updated_at": "2021-11-28T01:37:02.843000Z",
"spacegroup": 186
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{
"id": "mp-999516",
"created_at": "2022-09-04T14:47:15.233580Z",
"structure_string": "Mn2 P2\n1.0\n1.669674 -2.891961 0.000000\n1.669674 2.891961 0.000000\n0.000000 0.000000 5.369199\nMn P\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333333 0.666667 0.250000 P\n0.666667 0.333333 0.750000 P\n",
"nsites": 4,
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"density": 5.502604946407336,
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"volume": 51.851773185659034,
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"formula_full": "Mn2 P2",
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"energy": -30.98540637,
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"updated_at": "2021-11-28T01:37:59.676000Z",
"spacegroup": 194
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{
"id": "mp-999508",
"created_at": "2022-09-04T14:48:26.775794Z",
"structure_string": "Mn1 Si1 Ni2\n1.0\n0.000000 2.842582 2.842582\n2.842582 0.000000 2.842582\n2.842582 2.842582 0.000000\nMn Si Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Si\n0.750000 0.750000 0.750000 Ni\n0.250000 0.250000 0.250000 Ni\n",
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"density": 7.244363479763941,
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"formula_full": "Mn1 Si1 Ni2",
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"updated_at": "2021-11-28T01:39:21.801000Z",
"spacegroup": 225
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{
"id": "mp-999507",
"created_at": "2022-09-04T14:46:14.920413Z",
"structure_string": "Mn2 Sn2\n1.0\n4.068750 0.000000 0.000000\n-2.034375 3.523655 0.000000\n0.000000 0.000000 5.550925\nMn Sn\n2 2\ndirect\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.333254 0.666509 0.250000 Sn\n0.666746 0.333491 0.750000 Sn\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:37:24.541000Z",
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]
}