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{
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{
"id": "mp-10392",
"created_at": "2022-09-04T14:42:45.844574Z",
"structure_string": "Sr6 Cd2 Pt2 O12\n1.0\n4.848836 -4.869126 0.000000\n4.848836 4.869126 0.000000\n-0.040665 0.000000 6.871531\nSr Cd Pt O\n6 2 2 12\ndirect\n0.386854 0.113146 0.750000 Sr\n0.113146 0.750000 0.386854 Sr\n0.750000 0.386854 0.113146 Sr\n0.613146 0.886854 0.250000 Sr\n0.250000 0.613146 0.886854 Sr\n0.886854 0.250000 0.613146 Sr\n0.750000 0.750000 0.750000 Cd\n0.250000 0.250000 0.250000 Cd\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.948679 0.082568 0.284966 O\n0.284966 0.948679 0.082568 O\n0.082568 0.284966 0.948679 O\n0.551321 0.215034 0.417432 O\n0.417432 0.551321 0.215034 O\n0.215034 0.417432 0.551321 O\n0.051321 0.917432 0.715034 O\n0.715034 0.051321 0.917432 O\n0.917432 0.715034 0.051321 O\n0.448679 0.784966 0.582568 O\n0.784966 0.582568 0.448679 O\n0.582568 0.448679 0.784966 O\n",
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{
"id": "mp-1039199",
"created_at": "2022-09-04T14:40:56.688482Z",
"structure_string": "Ca2 Mg4\n1.0\n1.734144 -3.003625 0.000000\n1.734144 3.003625 0.000000\n0.000000 0.000000 16.798522\nCa Mg\n2 4\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.333333 0.666667 0.079062 Mg\n0.333333 0.666667 0.420938 Mg\n0.666667 0.333333 0.579062 Mg\n0.666667 0.333333 0.920938 Mg\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Ca-Mg",
"density": 1.6831081315797112,
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"formula_full": "Ca2 Mg4",
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"updated_at": "2021-11-28T01:34:59.141000Z",
"spacegroup": 194
},
{
"id": "mp-1039198",
"created_at": "2022-09-04T14:46:20.620381Z",
"structure_string": "Mg3 Bi1\n1.0\n-1.643863 2.871973 5.328418\n1.643863 -2.871973 5.328418\n1.643863 2.871973 -5.328418\nMg Bi\n3 1\ndirect\n0.166657 0.500000 0.666657 Mg\n0.247025 0.247963 0.999062 Mg\n0.751099 0.752037 0.999062 Mg\n0.668554 0.000000 0.668554 Bi\n",
"nsites": 4,
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"chemical_system": "Bi-Mg",
"density": 4.651926403454318,
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"volume": 100.62461952262274,
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"formula_full": "Mg3 Bi1",
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"energy": -8.69642179,
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"updated_at": "2021-11-28T01:37:26.910000Z",
"spacegroup": 44
},
{
"id": "mp-1039192",
"created_at": "2022-09-04T14:45:29.768631Z",
"structure_string": "Mg2 Al4\n1.0\n5.548695 0.000000 0.000000\n0.000000 5.548695 0.000000\n0.000000 0.000000 5.087359\nMg Al\n2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.335846 0.335846 0.000000 Al\n0.664154 0.664154 0.000000 Al\n0.164154 0.835846 0.500000 Al\n0.835846 0.164154 0.500000 Al\n",
"nsites": 6,
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"chemical_system": "Al-Mg",
"density": 1.6595474173613163,
"density_atomic": 0.03830691326360335,
"volume": 156.62969132260508,
"volume_molar": 15.72076747233464,
"formula_full": "Mg2 Al4",
"formula_reduced": "MgAl2",
"formula_anonymous": "AB2",
"energy": -14.229519160000002,
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"updated_at": "2021-11-28T01:37:01.431000Z",
"spacegroup": 136
},
{
"id": "mp-1039189",
"created_at": "2022-09-04T14:40:41.459446Z",
"structure_string": "Ce3 Mg1\n1.0\n0.000000 3.759713 3.759713\n3.759713 0.000000 3.759713\n3.759713 3.759713 0.000000\nCe Mg\n3 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.250000 0.250000 0.250000 Ce\n0.750000 0.750000 0.750000 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Ce-Mg",
"density": 6.946663251612486,
"density_atomic": 0.037632746368954265,
"volume": 106.29040891099737,
"volume_molar": 16.002395097499612,
"formula_full": "Ce3 Mg1",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.324000Z",
"spacegroup": 225
},
{
"id": "mp-1039188",
"created_at": "2022-09-04T14:39:47.283224Z",
"structure_string": "Mg2 Bi2\n1.0\n3.274259 0.000000 0.000000\n0.000000 5.629904 0.000000\n0.000000 0.000000 5.923830\nMg Bi\n2 2\ndirect\n0.000000 0.750000 0.823198 Mg\n0.000000 0.250000 0.176802 Mg\n0.500000 0.750000 0.300549 Bi\n0.500000 0.250000 0.699451 Bi\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Bi-Mg",
"density": 7.094961556611916,
"density_atomic": 0.03663054541387602,
"volume": 109.19848325503666,
"volume_molar": 16.440215923508344,
"formula_full": "Mg2 Bi2",
"formula_reduced": "MgBi",
"formula_anonymous": "AB",
"energy": -11.22619087,
"energy_per_atom": -2.8065477175,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0017234,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.836000Z",
"spacegroup": 51
},
{
"id": "mp-1039186",
"created_at": "2022-09-04T14:44:28.306519Z",
"structure_string": "Mg6 Cd6\n1.0\n4.974291 0.000000 0.000000\n0.000000 9.640728 0.000000\n0.000000 0.000000 5.473542\nMg Cd\n6 6\ndirect\n-0.000000 0.169312 0.160908 Mg\n0.000000 0.330688 0.660908 Mg\n0.500000 0.500000 0.842844 Mg\n-0.000000 0.669312 0.660908 Mg\n0.000000 0.830688 0.160908 Mg\n0.500000 0.000000 0.342844 Mg\n0.000000 0.500000 0.158689 Cd\n0.500000 0.332833 0.338326 Cd\n0.500000 0.167167 0.838326 Cd\n0.000000 0.000000 0.658689 Cd\n0.500000 0.832833 0.838326 Cd\n0.500000 0.667167 0.338326 Cd\n",
"nsites": 12,
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"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 5.189317201386956,
"density_atomic": 0.04571637357125884,
"volume": 262.48801168131604,
"volume_molar": 13.17283128464508,
"formula_full": "Mg6 Cd6",
"formula_reduced": "MgCd",
"formula_anonymous": "AB",
"energy": -16.02158789,
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"updated_at": "2021-11-28T01:36:35.979000Z",
"spacegroup": 38
},
{
"id": "mp-1039182",
"created_at": "2022-09-04T14:48:22.880134Z",
"structure_string": "Mg4 Bi2\n1.0\n2.931067 -4.806894 0.000000\n2.931067 4.806894 0.000000\n0.000000 0.000000 5.538330\nMg Bi\n4 2\ndirect\n0.002706 0.335108 0.750000 Mg\n0.335108 0.002706 0.750000 Mg\n0.664892 0.997294 0.250000 Mg\n0.997294 0.664892 0.250000 Mg\n0.679541 0.679541 0.750000 Bi\n0.320459 0.320459 0.250000 Bi\n",
"nsites": 6,
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"volume": 156.06270004817435,
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"formula_full": "Mg4 Bi2",
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"updated_at": "2021-11-28T01:39:06.593000Z",
"spacegroup": 63
},
{
"id": "mp-1039180",
"created_at": "2022-09-04T14:39:10.964277Z",
"structure_string": "Mg1 Al3\n1.0\n0.000000 3.302614 3.302614\n3.302614 0.000000 3.302614\n3.302614 3.302614 0.000000\nMg Al\n1 3\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Al\n0.750000 0.750000 0.750000 Al\n",
"nsites": 4,
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{
"id": "mp-1039175",
"created_at": "2022-09-04T14:41:12.305651Z",
"structure_string": "Mg2 Cd4\n1.0\n1.560386 -2.702668 0.000000\n1.560386 2.702668 0.000000\n0.000000 0.000000 15.959181\nMg Cd\n2 4\ndirect\n0.000000 0.000000 0.166253 Mg\n0.000000 0.000000 0.833747 Mg\n0.000000 0.000000 0.500000 Cd\n0.666667 0.333333 0.330833 Cd\n0.666667 0.333333 0.000000 Cd\n0.666667 0.333333 0.669167 Cd\n",
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{
"id": "mp-1039170",
"created_at": "2022-09-04T14:47:10.777935Z",
"structure_string": "Mg1 Bi1\n1.0\n0.000000 3.058867 3.058867\n3.058867 0.000000 3.058867\n3.058867 3.058867 0.000000\nMg Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
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"spacegroup": 225
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{
"id": "mp-1039167",
"created_at": "2022-09-04T14:43:04.869163Z",
"structure_string": "Ca2 Mg2\n1.0\n3.692641 0.000000 0.000000\n0.000000 5.809565 0.000000\n0.000000 0.000000 5.989297\nCa Mg\n2 2\ndirect\n0.000000 0.000000 0.093221 Ca\n0.500000 0.500000 0.906779 Ca\n0.500000 0.000000 0.584969 Mg\n0.000000 0.500000 0.415031 Mg\n",
"nsites": 4,
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"updated_at": "2021-11-28T01:35:56.068000Z",
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}
]
}