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{
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"results": [
{
"id": "mp-1026380",
"created_at": "2022-09-04T14:39:33.295892Z",
"structure_string": "K1 Na1 Mg14\n1.0\n6.610175 0.101517 0.000000\n-3.217171 5.572303 0.000000\n0.000000 0.000000 10.812180\nK Na Mg\n1 1 14\ndirect\n0.166743 0.333371 0.125000 K\n0.168015 0.834007 0.125000 Na\n0.165634 0.332816 0.625000 Mg\n0.165744 0.832871 0.625000 Mg\n0.666110 0.331721 0.125000 Mg\n0.666787 0.333526 0.625000 Mg\n0.666110 0.834388 0.125000 Mg\n0.666787 0.833260 0.625000 Mg\n0.341733 0.166692 0.393533 Mg\n0.341733 0.166692 0.856467 Mg\n0.341733 0.675042 0.393533 Mg\n0.341733 0.675042 0.856467 Mg\n0.822164 0.161082 0.386612 Mg\n0.822164 0.161082 0.863388 Mg\n0.828406 0.664204 0.376759 Mg\n0.828406 0.664204 0.873241 Mg\n",
"nsites": 16,
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"elements": [
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"density": 1.6629035068013198,
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"volume": 401.7859665750384,
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"formula_full": "K1 Na1 Mg14",
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"updated_at": "2021-11-28T01:34:28.234000Z",
"spacegroup": 38
},
{
"id": "mp-1094985",
"created_at": "2022-09-04T14:45:32.152804Z",
"structure_string": "Mg4 Cd2\n1.0\n2.649371 4.785398 0.000000\n-2.649371 4.785398 0.000000\n0.000000 3.369291 5.207599\nMg Cd\n4 2\ndirect\n0.249156 0.415916 0.751167 Mg\n0.584084 0.750844 0.748833 Mg\n0.415916 0.249156 0.251167 Mg\n0.750844 0.584084 0.248833 Mg\n0.085111 0.914889 0.250000 Cd\n0.914889 0.085111 0.750000 Cd\n",
"nsites": 6,
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"elements": [
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"Cd"
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"volume": 132.0469494430606,
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"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.66930467,
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"updated_at": "2021-11-28T01:36:58.338000Z",
"spacegroup": 15
},
{
"id": "mp-974738",
"created_at": "2022-09-04T14:43:42.128101Z",
"structure_string": "K1 Sr3\n1.0\n-3.030093 3.030093 6.345670\n3.030093 -3.030093 6.345670\n3.030093 3.030093 -6.345670\nK Sr\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.750000 0.250000 0.500000 Sr\n0.250000 0.750000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Sr"
],
"chemical_system": "K-Sr",
"density": 2.1515263941934957,
"density_atomic": 0.017163687567675497,
"volume": 233.0501522023292,
"volume_molar": 35.08652051754627,
"formula_full": "K1 Sr3",
"formula_reduced": "KSr3",
"formula_anonymous": "AB3",
"energy": -5.78183773,
"energy_per_atom": -1.4454594325,
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"energy_uncorrected": -5.78183773,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.618000Z",
"spacegroup": 139
},
{
"id": "mp-1184840",
"created_at": "2022-09-04T14:39:15.099003Z",
"structure_string": "K3 Al1\n1.0\n5.771874 0.000000 0.000000\n0.000000 5.771874 0.000000\n0.000000 0.000000 5.771874\nK Al\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Al\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"chemical_system": "Al-K",
"density": 1.2459309816489859,
"density_atomic": 0.02080220949209958,
"volume": 192.28726648095486,
"volume_molar": 28.949524627598503,
"formula_full": "K3 Al1",
"formula_reduced": "K3Al",
"formula_anonymous": "AB3",
"energy": -5.78302076,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.016000Z",
"spacegroup": 221
},
{
"id": "mp-1185810",
"created_at": "2022-09-04T14:43:56.137150Z",
"structure_string": "Mg5 Hg1\n1.0\n1.633890 5.809280 0.000000\n-1.633890 5.809280 0.000000\n0.000000 1.731129 7.116917\nMg Hg\n5 1\ndirect\n0.279054 0.279054 0.945863 Mg\n0.666798 0.666798 0.669257 Mg\n0.949531 0.949531 0.599721 Mg\n0.326589 0.326589 0.333800 Mg\n0.002086 0.002086 0.006731 Mg\n0.609274 0.609274 0.277962 Hg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Hg"
],
"chemical_system": "Hg-Mg",
"density": 3.9590685897419857,
"density_atomic": 0.04441035344673841,
"volume": 135.10363089534593,
"volume_molar": 13.560218040647635,
"formula_full": "Mg5 Hg1",
"formula_reduced": "Mg5Hg",
"formula_anonymous": "AB5",
"energy": -8.67482657,
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"band_gap": 0.0,
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"total_magnetization": 0.0013344,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:20.495000Z",
"spacegroup": 8
},
{
"id": "mp-1096114",
"created_at": "2022-09-04T14:42:39.097587Z",
"structure_string": "Cd1 In1 Ag2\n1.0\n-5.466149 5.793878 8.193090\n5.466149 -5.793878 8.193090\n5.466149 5.793878 -8.193090\nCd In Ag\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n0.000000 0.250491 0.250491 Ag\n0.000000 0.749509 0.749509 Ag\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Ag"
],
"chemical_system": "Ag-Cd-In",
"density": 0.7086966395426106,
"density_atomic": 0.0038539090601112133,
"volume": 1037.9072099549155,
"volume_molar": 156.26058285418438,
"formula_full": "Cd1 In1 Ag2",
"formula_reduced": "CdInAg2",
"formula_anonymous": "ABC2",
"energy": -5.78396158,
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"energy_uncorrected": -5.78396158,
"band_gap": 0.0203999999999999,
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"is_magnetic": false,
"total_magnetization": 1.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:51.485000Z",
"spacegroup": 71
},
{
"id": "mp-1094956",
"created_at": "2022-09-04T14:42:04.649476Z",
"structure_string": "Mg2 Zn2\n1.0\n3.028202 0.000000 0.000000\n0.000000 4.934615 0.000000\n0.000000 0.000000 4.982497\nMg Zn\n2 2\ndirect\n0.000000 0.000000 0.100835 Mg\n0.500000 0.500000 0.899165 Mg\n0.500000 0.000000 0.594896 Zn\n0.000000 0.500000 0.405104 Zn\n",
"nsites": 4,
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"elements": [
"Mg",
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"chemical_system": "Mg-Zn",
"density": 4.001788679790842,
"density_atomic": 0.053724802661353266,
"volume": 74.45350753940293,
"volume_molar": 11.209237561950143,
"formula_full": "Mg2 Zn2",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -5.78816226,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:40.661000Z",
"spacegroup": 59
},
{
"id": "mp-1027957",
"created_at": "2022-09-04T14:46:33.642545Z",
"structure_string": "K1 Mg14 Zn1\n1.0\n6.495296 -0.000000 0.000000\n-3.247648 5.625090 -0.000000\n0.000000 0.000000 10.507745\nK Mg Zn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 K\n0.163139 0.831569 0.125000 Mg\n0.174164 0.837082 0.625000 Mg\n0.668431 0.336861 0.125000 Mg\n0.662918 0.325836 0.625000 Mg\n0.668431 0.831569 0.125000 Mg\n0.662918 0.837082 0.625000 Mg\n0.335267 0.164733 0.357694 Mg\n0.335267 0.164733 0.892306 Mg\n0.335267 0.670536 0.357694 Mg\n0.335267 0.670536 0.892306 Mg\n0.829464 0.164733 0.357694 Mg\n0.829464 0.164733 0.892306 Mg\n0.833333 0.666667 0.379628 Mg\n0.833333 0.666667 0.870372 Mg\n0.166667 0.333333 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg",
"Zn"
],
"chemical_system": "K-Mg-Zn",
"density": 1.923772729220805,
"density_atomic": 0.04167561669939778,
"volume": 383.9175342120661,
"volume_molar": 14.45003394535736,
"formula_full": "K1 Mg14 Zn1",
"formula_reduced": "KMg14Zn",
"formula_anonymous": "ABC14",
"energy": -23.15644094,
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"updated_at": "2021-11-28T01:37:31.521000Z",
"spacegroup": 187
},
{
"id": "mp-973554",
"created_at": "2022-09-04T14:46:11.047649Z",
"structure_string": "K3 Sm1\n1.0\n-2.953159 2.953159 6.593057\n2.953159 -2.953159 6.593057\n2.953159 2.953159 -6.593057\nK Sm\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Sm\n",
"nsites": 4,
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"elements": [
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"volume": 229.9961055685606,
"volume_molar": 34.626723049642294,
"formula_full": "K3 Sm1",
"formula_reduced": "K3Sm",
"formula_anonymous": "AB3",
"energy": -5.78912845,
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"updated_at": "2021-11-28T01:37:14.483000Z",
"spacegroup": 139
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{
"id": "mp-1094282",
"created_at": "2022-09-04T14:45:23.451756Z",
"structure_string": "Sr2 Mg4\n1.0\n2.000796 -3.465480 0.000000\n2.000796 3.465480 0.000000\n0.000000 0.000000 15.095023\nSr Mg\n2 4\ndirect\n0.333333 0.666667 0.615750 Sr\n0.666667 0.333333 0.384250 Sr\n0.333333 0.666667 0.934427 Mg\n0.666667 0.333333 0.797460 Mg\n0.333333 0.666667 0.202540 Mg\n0.666667 0.333333 0.065573 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 209.3292811326472,
"volume_molar": 21.010173269506897,
"formula_full": "Sr2 Mg4",
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"energy": -8.68788078,
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"updated_at": "2021-11-28T01:37:04.153000Z",
"spacegroup": 164
},
{
"id": "mp-1096416",
"created_at": "2022-09-04T14:40:05.903758Z",
"structure_string": "Li2 Mg1 Au1\n1.0\n-5.408449 5.498078 7.638034\n5.408449 -5.498078 7.638034\n5.408449 5.498078 -7.638034\nLi Mg Au\n2 1 1\ndirect\n0.724392 0.000000 0.724392 Li\n0.275608 0.000000 0.275608 Li\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Au\n",
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"volume": 908.5005910392708,
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"formula_full": "Li2 Mg1 Au1",
"formula_reduced": "Li2MgAu",
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"updated_at": "2021-11-28T01:34:48.266000Z",
"spacegroup": 71
},
{
"id": "mp-1026829",
"created_at": "2022-09-04T14:40:25.446138Z",
"structure_string": "K1 Mg14 Cd1\n1.0\n6.521947 0.004451 0.000000\n-3.257119 5.641494 0.000000\n0.000000 0.000000 10.569511\nK Mg Cd\n1 14 1\ndirect\n0.166829 0.333414 0.125000 K\n0.166725 0.333362 0.625000 Mg\n0.166418 0.833208 0.625000 Mg\n0.663866 0.325408 0.125000 Mg\n0.666362 0.333486 0.625000 Mg\n0.663866 0.838456 0.125000 Mg\n0.666362 0.832875 0.625000 Mg\n0.337163 0.160872 0.385621 Mg\n0.337163 0.160872 0.864379 Mg\n0.337163 0.676292 0.385621 Mg\n0.337163 0.676292 0.864379 Mg\n0.823793 0.161897 0.387521 Mg\n0.823793 0.161897 0.862479 Mg\n0.834440 0.667221 0.370393 Mg\n0.834440 0.667221 0.879607 Mg\n0.174453 0.837226 0.125000 Cd\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Cd-K-Mg",
"density": 2.0990460351283007,
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"volume": 389.04279664609015,
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"formula_full": "K1 Mg14 Cd1",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:34:59.613000Z",
"spacegroup": 38
}
]
}