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{
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"results": [
{
"id": "mp-12857",
"created_at": "2022-09-04T14:47:43.501267Z",
"structure_string": "Mn3 N2\n1.0\n-1.431300 1.431300 6.025354\n1.431300 -1.431300 6.025354\n1.431300 1.431300 -6.025354\nMn N\n3 2\ndirect\n0.668851 0.668851 0.000000 Mn\n0.331149 0.331149 0.000000 Mn\n0.000000 0.000000 0.000000 Mn\n0.840065 0.840065 0.000000 N\n0.159935 0.159935 0.000000 N\n",
"nsites": 5,
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"density": 6.485063688169957,
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"formula_full": "Mn3 N2",
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{
"id": "mp-6933",
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"formula_full": "Mn1 N1",
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"updated_at": "2021-11-28T01:35:10.375000Z",
"spacegroup": 225
},
{
"id": "mp-1080197",
"created_at": "2022-09-04T14:47:17.520433Z",
"structure_string": "Mn6 N8\n1.0\n3.914411 -6.779958 0.000000\n3.914411 6.779958 0.000000\n0.000000 0.000000 2.620056\nMn N\n6 8\ndirect\n0.550193 0.729752 0.750000 Mn\n0.179559 0.449807 0.750000 Mn\n0.270248 0.820441 0.750000 Mn\n0.449807 0.270248 0.250000 Mn\n0.820441 0.550193 0.250000 Mn\n0.729752 0.179559 0.250000 Mn\n0.673506 0.990362 0.750000 N\n0.316857 0.326494 0.750000 N\n0.009638 0.683143 0.750000 N\n0.326494 0.009638 0.250000 N\n0.683143 0.673506 0.250000 N\n0.990362 0.316857 0.250000 N\n0.666667 0.333333 0.750000 N\n0.333333 0.666667 0.250000 N\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 5.273812364539136,
"density_atomic": 0.1006686024420291,
"volume": 139.07017342435068,
"volume_molar": 5.982143999136079,
"formula_full": "Mn6 N8",
"formula_reduced": "Mn3N4",
"formula_anonymous": "A3B4",
"energy": -125.18044979,
"energy_per_atom": -8.941460699285715,
"energy_above_hull": null,
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"total_magnetization": 0.0039155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:04.653000Z",
"spacegroup": 176
},
{
"id": "mp-1221793",
"created_at": "2022-09-04T14:46:52.005039Z",
"structure_string": "Mn2 N1\n1.0\n1.412136 -2.445891 0.000000\n1.412136 2.445891 0.000000\n0.000000 0.000000 4.401665\nMn N\n2 1\ndirect\n0.333333 0.666667 0.245161 Mn\n0.666667 0.333333 0.754839 Mn\n0.000000 0.000000 0.500000 N\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.765493316110953,
"density_atomic": 0.09866443855810599,
"volume": 30.40609204129028,
"volume_molar": 6.103658874472194,
"formula_full": "Mn2 N1",
"formula_reduced": "Mn2N",
"formula_anonymous": "AB2",
"energy": -27.661378,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -27.300378,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.218000Z",
"spacegroup": 164
},
{
"id": "mp-1080204",
"created_at": "2022-09-04T14:46:38.721047Z",
"structure_string": "Mn12 N16\n1.0\n9.850387 0.000000 0.000000\n0.000000 5.727734 0.000000\n0.000000 0.000000 4.681156\nMn N\n12 16\ndirect\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.757525 0.250000 0.505417 Mn\n0.257525 0.250000 0.994583 Mn\n0.242475 0.750000 0.494583 Mn\n0.742475 0.750000 0.005417 Mn\n0.587350 0.250000 0.095946 Mn\n0.087350 0.250000 0.404054 Mn\n0.412650 0.750000 0.904054 Mn\n0.912650 0.750000 0.595946 Mn\n0.586377 0.250000 0.717363 N\n0.086377 0.250000 0.782637 N\n0.413623 0.750000 0.282637 N\n0.913623 0.750000 0.217363 N\n0.921553 0.250000 0.250060 N\n0.421553 0.250000 0.249940 N\n0.078447 0.750000 0.749940 N\n0.578447 0.750000 0.750060 N\n0.667801 0.004022 0.260311 N\n0.167801 0.495978 0.239689 N\n0.332199 0.504022 0.739689 N\n0.832199 0.995978 0.760311 N\n0.332199 0.995978 0.739689 N\n0.832199 0.504022 0.760311 N\n0.667801 0.495978 0.260311 N\n0.167801 0.004022 0.239689 N\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 5.55391741421488,
"density_atomic": 0.10601535768068962,
"volume": 264.11267775310364,
"volume_molar": 5.680441864034681,
"formula_full": "Mn12 N16",
"formula_reduced": "Mn3N4",
"formula_anonymous": "A3B4",
"energy": -252.6681215,
"energy_per_atom": -9.023861482142857,
"energy_above_hull": null,
"is_stable": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.343000Z",
"spacegroup": 62
},
{
"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,
"nelements": 2,
"elements": [
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"N"
],
"chemical_system": "Mn-N",
"density": 5.7519717049263335,
"density_atomic": 0.10048389697162308,
"volume": 39.80737332599283,
"volume_molar": 5.993140136374954,
"formula_full": "Mn2 N2",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -36.5518825,
"energy_per_atom": -9.137970625,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -35.8298825,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:02.843000Z",
"spacegroup": 186
},
{
"id": "mp-9981",
"created_at": "2022-09-04T14:46:05.543180Z",
"structure_string": "Mn8 N4\n1.0\n4.397323 0.000000 0.000000\n0.000000 4.826919 0.000000\n0.000000 0.000000 5.547829\nMn N\n8 4\ndirect\n0.250086 0.082902 0.879009 Mn\n0.750086 0.917098 0.620991 Mn\n0.249914 0.582902 0.620991 Mn\n0.749914 0.417098 0.879009 Mn\n0.250086 0.582902 0.120991 Mn\n0.750086 0.417098 0.379009 Mn\n0.249914 0.082902 0.379009 Mn\n0.749914 0.917098 0.120991 Mn\n0.500000 0.750000 0.866190 N\n0.000000 0.250000 0.633810 N\n0.500000 0.250000 0.133810 N\n0.000000 0.750000 0.366190 N\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mn",
"N"
],
"chemical_system": "Mn-N",
"density": 6.987770317976588,
"density_atomic": 0.10190601083802048,
"volume": 117.75556614686832,
"volume_molar": 5.909504955082766,
"formula_full": "Mn8 N4",
"formula_reduced": "Mn2N",
"formula_anonymous": "AB2",
"energy": -111.48765941,
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"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.611000Z",
"spacegroup": 60
},
{
"id": "mp-1420147",
"created_at": "2022-09-04T14:46:30.163455Z",
"structure_string": "Mn2 N2\n1.0\n2.708724 0.000000 0.000000\n0.000000 2.989495 0.000000\n0.000000 0.555921 4.854973\nMn N\n2 2\ndirect\n0.000000 0.938530 0.937629 Mn\n0.000000 0.349652 0.379023 Mn\n0.000000 0.818175 0.563939 N\n0.500000 0.398507 0.090079 N\n",
"nsites": 4,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mn-N",
"density": 5.824127269495309,
"density_atomic": 0.1017444164400809,
"volume": 39.31419668965983,
"volume_molar": 5.918890658286438,
"formula_full": "Mn2 N2",
"formula_reduced": "MnN",
"formula_anonymous": "AB",
"energy": -35.82478506,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:33.382000Z",
"spacegroup": 6
},
{
"id": "mp-1097684",
"created_at": "2022-09-04T14:42:23.951018Z",
"structure_string": "Mn1 V2 Mo1\n1.0\n-4.846717 5.114978 6.728009\n4.846717 -5.114978 6.728009\n4.846717 5.114978 -6.728009\nMn V Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.263921 0.263921 V\n0.000000 0.736079 0.736079 V\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"V",
"Mo"
],
"chemical_system": "Mn-Mo-V",
"density": 0.6291022703616425,
"density_atomic": 0.0059954530190562015,
"volume": 667.1722699329359,
"volume_molar": 100.4451330176214,
"formula_full": "Mn1 V2 Mo1",
"formula_reduced": "MnV2Mo",
"formula_anonymous": "ABC2",
"energy": -22.25109481,
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"updated_at": "2021-11-28T01:35:42.875000Z",
"spacegroup": 71
},
{
"id": "mp-1096044",
"created_at": "2022-09-04T14:46:20.701334Z",
"structure_string": "Ti1 Mn2 Mo1\n1.0\n-4.668551 5.212095 6.409574\n4.668551 -5.212095 6.409574\n4.668551 5.212095 -6.409574\nTi Mn Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Ti\n0.225401 0.000000 0.225401 Mn\n0.774599 0.000000 0.774599 Mn\n0.500000 0.000000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.6752382393549604,
"density_atomic": 0.006411747389761607,
"volume": 623.8548958412291,
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"formula_full": "Ti1 Mn2 Mo1",
"formula_reduced": "TiMn2Mo",
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"energy": -22.61325477,
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"energy_uncorrected": -22.61325477,
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"updated_at": "2021-11-28T01:37:22.996000Z",
"spacegroup": 71
},
{
"id": "mp-1097614",
"created_at": "2022-09-04T14:48:23.108207Z",
"structure_string": "Ti2 Mn1 Mo1\n1.0\n-4.851836 5.401343 7.872859\n4.851836 -5.401343 7.872859\n4.851836 5.401343 -7.872859\nTi Mn Mo\n2 1 1\ndirect\n0.000000 0.270230 0.270230 Ti\n0.000000 0.729770 0.729770 Ti\n0.000000 0.000000 0.000000 Mn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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],
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"density": 0.4962071839820986,
"density_atomic": 0.004846850865043649,
"volume": 825.2781262259814,
"volume_molar": 124.24852605704768,
"formula_full": "Ti2 Mn1 Mo1",
"formula_reduced": "Ti2MnMo",
"formula_anonymous": "ABC2",
"energy": -21.82029665,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:39:29.339000Z",
"spacegroup": 71
},
{
"id": "mp-1096728",
"created_at": "2022-09-04T14:41:17.070729Z",
"structure_string": "Mn1 Tc2 Mo1\n1.0\n-4.801099 5.267136 7.446003\n4.801099 -5.267136 7.446003\n4.801099 5.267136 -7.446003\nMn Tc Mo\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.267456 0.267456 Tc\n0.000000 0.732544 0.732544 Tc\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"Tc",
"Mo"
],
"chemical_system": "Mn-Mo-Tc",
"density": 0.7647641453518497,
"density_atomic": 0.005310820214178164,
"volume": 753.1793279918044,
"volume_molar": 113.39379826722134,
"formula_full": "Mn1 Tc2 Mo1",
"formula_reduced": "MnTc2Mo",
"formula_anonymous": "ABC2",
"energy": -25.60514658,
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"energy_above_hull": null,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:16.996000Z",
"spacegroup": 71
}
]
}