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{
"id": "mp-1225083",
"created_at": "2022-09-04T14:42:18.188136Z",
"structure_string": "Fe1 Co3\n1.0\n2.466010 0.000000 0.000000\n0.000000 2.466010 0.000000\n0.000000 0.000000 7.063459\nFe Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Fe\n0.500000 0.500000 0.745404 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.254596 Co\n",
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"volume": 42.95434444910822,
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"formula_full": "Fe1 Co3",
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{
"id": "mp-1187407",
"created_at": "2022-09-04T14:44:22.054920Z",
"structure_string": "Te2 S6\n1.0\n3.664047 -6.346316 0.000000\n3.664047 6.346316 0.000000\n0.000000 0.000000 3.719464\nTe S\n2 6\ndirect\n0.333333 0.666667 0.750000 Te\n0.666667 0.333333 0.250000 Te\n0.178972 0.357944 0.250000 S\n0.642056 0.821028 0.250000 S\n0.178972 0.821028 0.250000 S\n0.821028 0.642056 0.750000 S\n0.357944 0.178972 0.750000 S\n0.821028 0.178972 0.750000 S\n",
"nsites": 8,
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"elements": [
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"chemical_system": "S-Te",
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"formula_full": "Te2 S6",
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"updated_at": "2021-11-28T01:36:26.135000Z",
"spacegroup": 194
},
{
"id": "mp-2968",
"created_at": "2022-09-04T14:40:30.187668Z",
"structure_string": "Sr1 Mn2 Sb2\n1.0\n2.277258 -3.944326 0.000000\n2.277258 3.944326 0.000000\n0.000000 0.000000 7.895520\nSr Mn Sb\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.379825 Mn\n0.333333 0.666667 0.620175 Mn\n0.666667 0.333333 0.731808 Sb\n0.333333 0.666667 0.268192 Sb\n",
"nsites": 5,
"nelements": 3,
"elements": [
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"Mn",
"Sb"
],
"chemical_system": "Mn-Sb-Sr",
"density": 5.163066985049941,
"density_atomic": 0.03525122648929264,
"volume": 141.83903648058094,
"volume_molar": 17.08349285897667,
"formula_full": "Sr1 Mn2 Sb2",
"formula_reduced": "Sr(MnSb)2",
"formula_anonymous": "AB2C2",
"energy": -29.6577653,
"energy_per_atom": -5.931553060000001,
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"energy_uncorrected": -29.2737653,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:05.634000Z",
"spacegroup": 164
},
{
"id": "mp-983409",
"created_at": "2022-09-04T14:46:29.131373Z",
"structure_string": "Ho2 Mn1 Os1\n1.0\n0.000000 3.455943 3.455943\n3.455943 0.000000 3.455943\n3.455943 3.455943 0.000000\nHo Mn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ho\n0.750000 0.750000 0.750000 Ho\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Mn",
"Os"
],
"chemical_system": "Ho-Mn-Os",
"density": 11.566684745172946,
"density_atomic": 0.048454072294531116,
"volume": 82.55240087325889,
"volume_molar": 12.4285544533678,
"formula_full": "Ho2 Mn1 Os1",
"formula_reduced": "Ho2MnOs",
"formula_anonymous": "ABC2",
"energy": -29.66007469,
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"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -29.66007469,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:41.581000Z",
"spacegroup": 225
},
{
"id": "mp-865451",
"created_at": "2022-09-04T14:41:26.194957Z",
"structure_string": "Tm2 Mn1 Os1\n1.0\n0.000000 3.424019 3.424019\n3.424019 0.000000 3.424019\n3.424019 3.424019 0.000000\nTm Mn Os\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Tm\n0.750000 0.750000 0.750000 Tm\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Os\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mn-Os-Tm",
"density": 12.058861906696299,
"density_atomic": 0.04982203906071163,
"volume": 80.2857545658804,
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"formula_full": "Tm2 Mn1 Os1",
"formula_reduced": "Tm2MnOs",
"formula_anonymous": "ABC2",
"energy": -29.66188463,
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"energy_above_hull": null,
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"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.66188463,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 3.3538955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:13.862000Z",
"spacegroup": 225
},
{
"id": "mp-865048",
"created_at": "2022-09-04T14:39:08.744954Z",
"structure_string": "Ti1 Zn1 Ir2\n1.0\n0.000000 3.067706 3.067706\n3.067706 0.000000 3.067706\n3.067706 3.067706 0.000000\nTi Zn Ir\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Zn\n0.750000 0.750000 0.750000 Ir\n0.250000 0.250000 0.250000 Ir\n",
"nsites": 4,
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"elements": [
"Ti",
"Zn",
"Ir"
],
"chemical_system": "Ir-Ti-Zn",
"density": 14.313777472598122,
"density_atomic": 0.06927695467408063,
"volume": 57.739258586327054,
"volume_molar": 8.692848564622503,
"formula_full": "Ti1 Zn1 Ir2",
"formula_reduced": "TiZnIr2",
"formula_anonymous": "ABC2",
"energy": -29.6619482,
"energy_per_atom": -7.41548705,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -29.6619482,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0001845,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.558000Z",
"spacegroup": 225
},
{
"id": "mp-20024",
"created_at": "2022-09-04T14:44:14.957660Z",
"structure_string": "La2 Cu2 Sn2\n1.0\n2.305446 -3.993150 0.000000\n2.305446 3.993150 0.000000\n0.000000 0.000000 8.228179\nLa Cu Sn\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.666667 0.333333 0.750000 Cu\n0.333333 0.666667 0.250000 Cu\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333333 0.250000 Sn\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"Cu",
"Sn"
],
"chemical_system": "Cu-La-Sn",
"density": 7.040414436370385,
"density_atomic": 0.03960471979332748,
"volume": 151.49709507630118,
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"formula_full": "La2 Cu2 Sn2",
"formula_reduced": "LaCuSn",
"formula_anonymous": "ABC",
"energy": -29.66267791,
"energy_per_atom": -4.9437796516666666,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -29.66267791,
"band_gap": 0.0,
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"total_magnetization": 0.0002779,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:33.030000Z",
"spacegroup": 194
},
{
"id": "mp-21484",
"created_at": "2022-09-04T14:46:05.110163Z",
"structure_string": "Pu1 Ge3\n1.0\n4.272764 0.000000 0.000000\n0.000000 4.272764 0.000000\n0.000000 0.000000 4.272764\nPu Ge\n1 3\ndirect\n0.000000 0.000000 0.000000 Pu\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ge-Pu",
"density": 9.833070353657455,
"density_atomic": 0.051278259259761,
"volume": 78.00576809242186,
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"formula_full": "Pu1 Ge3",
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"updated_at": "2021-11-28T01:37:21.491000Z",
"spacegroup": 221
},
{
"id": "mp-1205829",
"created_at": "2022-09-04T14:40:13.888489Z",
"structure_string": "Tb3 Mg3 Ag3\n1.0\n3.875681 -6.712876 0.000000\n3.875681 6.712876 0.000000\n0.000000 0.000000 4.133754\nTb Mg Ag\n3 3 3\ndirect\n0.589271 0.000000 0.000000 Tb\n0.000000 0.589271 0.000000 Tb\n0.410729 0.410729 0.000000 Tb\n0.247375 0.000000 0.500000 Mg\n0.000000 0.247375 0.500000 Mg\n0.752625 0.752625 0.500000 Mg\n0.333333 0.666667 0.500000 Ag\n0.666667 0.333333 0.500000 Ag\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 9,
"nelements": 3,
"elements": [
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"Mg",
"Ag"
],
"chemical_system": "Ag-Mg-Tb",
"density": 6.7418505589939475,
"density_atomic": 0.0418418845403148,
"volume": 215.09547428076448,
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"formula_full": "Tb3 Mg3 Ag3",
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"updated_at": "2021-11-28T01:34:52.060000Z",
"spacegroup": 189
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{
"id": "mp-1220677",
"created_at": "2022-09-04T14:47:36.765292Z",
"structure_string": "Nb2 Ru1\n1.0\n0.000000 2.329654 6.622188\n1.643766 0.000000 6.622188\n1.643766 2.329654 0.000000\nNb Ru\n2 1\ndirect\n0.339595 0.339595 0.660405 Nb\n0.660405 0.660405 0.339595 Nb\n0.000000 0.000000 0.000000 Ru\n",
"nsites": 3,
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"density": 9.392703835709007,
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"volume": 50.71809341022112,
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"formula_full": "Nb2 Ru1",
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"updated_at": "2021-11-28T01:38:13.284000Z",
"spacegroup": 69
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{
"id": "mp-1026500",
"created_at": "2022-09-04T14:40:21.988649Z",
"structure_string": "Mg14 Ga1 B1\n1.0\n6.231721 -0.134113 0.000000\n-3.232006 5.597998 0.000000\n0.000000 0.000000 9.875948\nMg Ga B\n14 1 1\ndirect\n0.174095 0.337047 0.625000 Mg\n0.174581 0.837290 0.625000 Mg\n0.745263 0.365186 0.125000 Mg\n0.660242 0.328600 0.625000 Mg\n0.745263 0.880076 0.125000 Mg\n0.660242 0.831642 0.625000 Mg\n0.312090 0.170907 0.336200 Mg\n0.312090 0.170907 0.913800 Mg\n0.312090 0.641184 0.336200 Mg\n0.312090 0.641184 0.913800 Mg\n0.824624 0.162313 0.374281 Mg\n0.824624 0.162313 0.875719 Mg\n0.826281 0.663141 0.379294 Mg\n0.826281 0.663141 0.870706 Mg\n0.182005 0.841002 0.125000 Ga\n0.108138 0.304069 0.125000 B\n",
"nsites": 16,
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"density": 2.053711375971553,
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"volume": 340.2432734984398,
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"formula_full": "Mg14 Ga1 B1",
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"updated_at": "2021-11-28T01:34:48.575000Z",
"spacegroup": 38
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{
"id": "mp-7582",
"created_at": "2022-09-04T14:39:17.320150Z",
"structure_string": "Ge2 S4\n1.0\n-2.892726 2.892726 4.550443\n2.892726 -2.892726 4.550443\n2.892726 2.892726 -4.550443\nGe S\n2 4\ndirect\n0.750000 0.250000 0.500000 Ge\n0.000000 0.000000 0.000000 Ge\n0.875000 0.901169 0.526169 S\n0.098831 0.625000 0.973831 S\n0.375000 0.348831 0.473831 S\n0.651169 0.125000 0.026169 S\n",
"nsites": 6,
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"elements": [
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"S"
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"chemical_system": "Ge-S",
"density": 2.98223368889074,
"density_atomic": 0.039393356130556,
"volume": 152.30994739607922,
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"formula_full": "Ge2 S4",
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"formula_anonymous": "AB2",
"energy": -29.67021026,
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"updated_at": "2021-11-28T01:34:34.964000Z",
"spacegroup": 122
}
]
}