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{
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"results": [
{
"id": "mp-978263",
"created_at": "2022-09-04T14:39:11.257421Z",
"structure_string": "Mg2 U2\n1.0\n2.800348 0.000000 0.000000\n0.000000 4.797780 0.000000\n0.000000 0.000000 6.197951\nMg U\n2 2\ndirect\n0.000000 0.250000 0.118327 Mg\n0.000000 0.750000 0.881673 Mg\n0.500000 0.750000 0.409443 U\n0.500000 0.250000 0.590557 U\n",
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"density": 10.4624417410029,
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"volume": 83.27228324564538,
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"formula_full": "Mg2 U2",
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{
"id": "mp-978262",
"created_at": "2022-09-04T14:41:15.941844Z",
"structure_string": "Mg2 Tl6\n1.0\n3.438838 -5.956243 0.000000\n3.438838 5.956243 0.000000\n0.000000 0.000000 5.636435\nMg Tl\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.168553 0.337107 0.250000 Tl\n0.662893 0.831447 0.250000 Tl\n0.168553 0.831447 0.250000 Tl\n0.831447 0.168553 0.750000 Tl\n0.337107 0.168553 0.750000 Tl\n0.831447 0.662893 0.750000 Tl\n",
"nsites": 8,
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"elements": [
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"formula_full": "Mg2 Tl6",
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"updated_at": "2021-11-28T01:35:15.079000Z",
"spacegroup": 194
},
{
"id": "mp-978261",
"created_at": "2022-09-04T14:44:30.511374Z",
"structure_string": "Mn1 Be2 Co1\n1.0\n0.000000 2.653513 2.653513\n2.653513 0.000000 2.653513\n2.653513 2.653513 0.000000\nMn Be Co\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n0.500000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"Be",
"Co"
],
"chemical_system": "Be-Co-Mn",
"density": 5.861189512706968,
"density_atomic": 0.10704498772758196,
"volume": 37.367466566296144,
"volume_molar": 5.625803587670731,
"formula_full": "Mn1 Be2 Co1",
"formula_reduced": "MnBe2Co",
"formula_anonymous": "ABC2",
"energy": -24.71679659,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:41.402000Z",
"spacegroup": 225
},
{
"id": "mp-978260",
"created_at": "2022-09-04T14:47:25.553818Z",
"structure_string": "Mg4 Bi2\n1.0\n1.755503 6.037817 0.000000\n-1.755503 6.037817 0.000000\n0.000000 3.002455 7.411006\nMg Bi\n4 2\ndirect\n0.130214 0.130214 0.972264 Mg\n0.869786 0.869786 0.027736 Mg\n0.449099 0.449099 0.305267 Mg\n0.550901 0.550901 0.694733 Mg\n0.176995 0.176995 0.322662 Bi\n0.823005 0.823005 0.677338 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.445278343239143,
"density_atomic": 0.038191135234501766,
"volume": 157.10452080459805,
"volume_molar": 15.7684256386273,
"formula_full": "Mg4 Bi2",
"formula_reduced": "Mg2Bi",
"formula_anonymous": "AB2",
"energy": -14.5409758,
"energy_per_atom": -2.4234959666666667,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -14.5409758,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.051000Z",
"spacegroup": 12
},
{
"id": "mp-978259",
"created_at": "2022-09-04T14:42:10.117040Z",
"structure_string": "Mg4 As2\n1.0\n2.111139 -8.624769 0.000000\n2.111139 8.624769 0.000000\n0.000000 0.000000 4.586183\nMg As\n4 2\ndirect\n0.934483 0.065517 0.750000 Mg\n0.736964 0.263036 0.750000 Mg\n0.263036 0.736964 0.250000 Mg\n0.065517 0.934483 0.250000 Mg\n0.337719 0.662281 0.750000 As\n0.662281 0.337719 0.250000 As\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"As"
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"chemical_system": "As-Mg",
"density": 2.4564701041118067,
"density_atomic": 0.035925727695922435,
"volume": 167.01123080329418,
"volume_molar": 16.762752339971424,
"formula_full": "Mg4 As2",
"formula_reduced": "Mg2As",
"formula_anonymous": "AB2",
"energy": -17.72245012,
"energy_per_atom": -2.953741686666667,
"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:42.999000Z",
"spacegroup": 63
},
{
"id": "mp-978258",
"created_at": "2022-09-04T14:40:20.569581Z",
"structure_string": "Mg2 Ta2\n1.0\n2.862454 0.000000 0.000000\n0.000000 4.873826 0.000000\n0.000000 0.000000 5.535306\nMg Ta\n2 2\ndirect\n0.000000 0.750000 0.142499 Mg\n0.000000 0.250000 0.857501 Mg\n0.500000 0.250000 0.379358 Ta\n0.500000 0.750000 0.620642 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Ta"
],
"chemical_system": "Mg-Ta",
"density": 8.827102746788478,
"density_atomic": 0.051797621804393824,
"volume": 77.22362264247222,
"volume_molar": 11.626288138752273,
"formula_full": "Mg2 Ta2",
"formula_reduced": "MgTa",
"formula_anonymous": "AB",
"energy": -25.59939799,
"energy_per_atom": -6.3998494975,
"energy_above_hull": null,
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"energy_uncorrected": -25.59939799,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0034865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.472000Z",
"spacegroup": 51
},
{
"id": "mp-978257",
"created_at": "2022-09-04T14:42:25.416268Z",
"structure_string": "Mg2 Sn6\n1.0\n3.301534 -5.718424 0.000000\n3.301534 5.718424 0.000000\n0.000000 0.000000 5.554118\nMg Sn\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.168155 0.336310 0.250000 Sn\n0.663690 0.831845 0.250000 Sn\n0.168155 0.831845 0.250000 Sn\n0.831845 0.168155 0.750000 Sn\n0.336310 0.168155 0.750000 Sn\n0.831845 0.663690 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 6.024518365889456,
"density_atomic": 0.03814632998870162,
"volume": 209.71873316173486,
"volume_molar": 15.78694663886059,
"formula_full": "Mg2 Sn6",
"formula_reduced": "MgSn3",
"formula_anonymous": "AB3",
"energy": -27.37861039,
"energy_per_atom": -3.42232629875,
"energy_above_hull": null,
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"energy_uncorrected": -27.37861039,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:43.530000Z",
"spacegroup": 194
},
{
"id": "mp-978256",
"created_at": "2022-09-04T14:48:21.114530Z",
"structure_string": "Mg2 Tl1 Pb1\n1.0\n0.000000 3.739824 3.739824\n3.739824 0.000000 3.739824\n3.739824 3.739824 0.000000\nMg Tl Pb\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Tl",
"Pb"
],
"chemical_system": "Mg-Pb-Tl",
"density": 7.304759135667301,
"density_atomic": 0.03823635654676983,
"volume": 104.61247778949054,
"volume_molar": 15.749776662517142,
"formula_full": "Mg2 Tl1 Pb1",
"formula_reduced": "Mg2TlPb",
"formula_anonymous": "ABC2",
"energy": -9.47512358,
"energy_per_atom": -2.368780895,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.47512358,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:02.282000Z",
"spacegroup": 225
},
{
"id": "mp-978255",
"created_at": "2022-09-04T14:39:21.047505Z",
"structure_string": "Mg2 Ti6\n1.0\n2.956003 -5.119948 0.000000\n2.956003 5.119948 0.000000\n0.000000 0.000000 4.764776\nMg Ti\n2 6\ndirect\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n0.165240 0.330480 0.250000 Ti\n0.669520 0.834760 0.250000 Ti\n0.165240 0.834760 0.250000 Ti\n0.834760 0.165240 0.750000 Ti\n0.330480 0.165240 0.750000 Ti\n0.834760 0.669520 0.750000 Ti\n",
"nsites": 8,
"nelements": 2,
"elements": [
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"Ti"
],
"chemical_system": "Mg-Ti",
"density": 3.8663610220259375,
"density_atomic": 0.05546858435473189,
"volume": 144.2257828113751,
"volume_molar": 10.856849566391116,
"formula_full": "Mg2 Ti6",
"formula_reduced": "MgTi3",
"formula_anonymous": "AB3",
"energy": -49.37296322,
"energy_per_atom": -6.1716204025,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:39.210000Z",
"spacegroup": 194
},
{
"id": "mp-978254",
"created_at": "2022-09-04T14:45:36.913643Z",
"structure_string": "La6 Ag2\n1.0\n3.628127 -6.284100 0.000000\n3.628127 6.284100 0.000000\n0.000000 0.000000 5.430590\nLa Ag\n6 2\ndirect\n0.176850 0.353700 0.250000 La\n0.646300 0.823150 0.250000 La\n0.176850 0.823150 0.250000 La\n0.823150 0.646300 0.750000 La\n0.353700 0.176850 0.750000 La\n0.823150 0.176850 0.750000 La\n0.333333 0.666667 0.750000 Ag\n0.666667 0.333333 0.250000 Ag\n",
"nsites": 8,
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"elements": [
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"Ag"
],
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"density": 7.035452884651825,
"density_atomic": 0.03230631382522867,
"volume": 247.6296133096012,
"volume_molar": 18.64075484618485,
"formula_full": "La6 Ag2",
"formula_reduced": "La3Ag",
"formula_anonymous": "AB3",
"energy": -35.40797128,
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"updated_at": "2021-11-28T01:37:09.937000Z",
"spacegroup": 194
},
{
"id": "mp-978253",
"created_at": "2022-09-04T14:42:15.651557Z",
"structure_string": "Ce12 Si8 Rh8\n1.0\n5.547331 0.000000 0.000000\n0.000000 7.952764 0.000000\n0.000000 0.000000 13.173821\nCe Si Rh\n12 8 8\ndirect\n0.144250 0.241472 0.750000 Ce\n0.855750 0.758528 0.250000 Ce\n0.144250 0.258528 0.250000 Ce\n0.855750 0.741472 0.750000 Ce\n0.641865 0.388525 0.599438 Ce\n0.358135 0.611475 0.099438 Ce\n0.641865 0.111475 0.400562 Ce\n0.358135 0.888525 0.900562 Ce\n0.358135 0.611475 0.400562 Ce\n0.641865 0.388525 0.900562 Ce\n0.358135 0.888525 0.599438 Ce\n0.641865 0.111475 0.099438 Ce\n0.146567 0.250000 0.500000 Si\n0.853433 0.750000 0.000000 Si\n0.853433 0.750000 0.500000 Si\n0.146567 0.250000 0.000000 Si\n0.645582 0.096079 0.750000 Si\n0.354418 0.903921 0.250000 Si\n0.645582 0.403921 0.250000 Si\n0.354418 0.596079 0.750000 Si\n0.877470 0.034271 0.592598 Rh\n0.122530 0.965729 0.092598 Rh\n0.877470 0.465729 0.407402 Rh\n0.122530 0.534271 0.907402 Rh\n0.122530 0.965729 0.407402 Rh\n0.877470 0.034271 0.907402 Rh\n0.122530 0.534271 0.592598 Rh\n0.877470 0.465729 0.092598 Rh\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"Si",
"Rh"
],
"chemical_system": "Ce-Rh-Si",
"density": 7.798114754403979,
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"volume": 581.1843795570189,
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"formula_full": "Ce12 Si8 Rh8",
"formula_reduced": "Ce3(SiRh)2",
"formula_anonymous": "A2B2C3",
"energy": -196.93129823,
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"updated_at": "2021-11-28T01:35:43.467000Z",
"spacegroup": 57
},
{
"id": "mp-978252",
"created_at": "2022-09-04T14:48:12.341165Z",
"structure_string": "Ce4 Zn34\n1.0\n8.987076 0.000086 0.000190\n-4.493464 7.782867 -0.000181\n0.000183 -0.000092 8.808028\nCe Zn\n4 34\ndirect\n0.333275 0.666671 0.749996 Ce\n0.666701 0.333316 0.250005 Ce\n0.999960 0.999970 0.250009 Ce\n0.000032 0.000024 0.749992 Ce\n0.329841 0.959661 0.250002 Zn\n0.669968 0.040197 0.749994 Zn\n0.040305 0.370130 0.249992 Zn\n0.629830 0.670128 0.250010 Zn\n0.370247 0.330067 0.749984 Zn\n0.959791 0.629771 0.750011 Zn\n0.370237 0.040187 0.750003 Zn\n0.669935 0.629780 0.749992 Zn\n0.959790 0.330012 0.750002 Zn\n0.040314 0.670165 0.250006 Zn\n0.329855 0.370177 0.250011 Zn\n0.629842 0.959684 0.249992 Zn\n0.499975 0.999961 0.999915 Zn\n0.499955 0.999918 0.500090 Zn\n0.000071 0.500036 0.999911 Zn\n0.499953 0.500048 0.999907 Zn\n0.499958 0.500036 0.500077 Zn\n0.000055 0.500032 0.500094 Zn\n0.333338 0.666686 0.100663 Zn\n0.666671 0.333324 0.600810 Zn\n0.666676 0.333354 0.899178 Zn\n0.333315 0.666661 0.399354 Zn\n0.162087 0.324192 0.977896 Zn\n0.837947 0.675891 0.477914 Zn\n0.675811 0.837927 0.977919 Zn\n0.162081 0.837912 0.977868 Zn\n0.837946 0.162056 0.477910 Zn\n0.324125 0.162058 0.477913 Zn\n0.837958 0.675872 0.022082 Zn\n0.837950 0.162058 0.022104 Zn\n0.324121 0.162049 0.022073 Zn\n0.675821 0.837910 0.522086 Zn\n0.162085 0.837901 0.522124 Zn\n0.162074 0.324173 0.522111 Zn\n",
"nsites": 38,
"nelements": 2,
"elements": [
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"Zn"
],
"chemical_system": "Ce-Zn",
"density": 7.504762179030241,
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"volume": 616.0828352147056,
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"formula_full": "Ce4 Zn34",
"formula_reduced": "Ce2Zn17",
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"energy": -75.39999346,
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"updated_at": "2021-11-28T01:38:35.631000Z",
"spacegroup": 194
}
]
}