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"results": [
{
"id": "mp-2341",
"created_at": "2022-09-04T14:41:53.936525Z",
"structure_string": "Li6 N2\n1.0\n1.782263 -3.086970 0.000000\n1.782263 3.086970 0.000000\n0.000000 0.000000 6.348980\nLi N\n6 2\ndirect\n0.000000 0.000000 0.250000 Li\n0.000000 0.000000 0.750000 Li\n0.333333 0.666667 0.576653 Li\n0.666667 0.333333 0.076653 Li\n0.666667 0.333333 0.423347 Li\n0.333333 0.666667 0.923347 Li\n0.333333 0.666667 0.250000 N\n0.666667 0.333333 0.750000 N\n",
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{
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"structure_string": "Li2 N1\n1.0\n0.000000 2.422472 2.422472\n2.422472 0.000000 2.422472\n2.422472 2.422472 0.000000\nLi N\n2 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 N\n",
"nsites": 3,
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"updated_at": "2021-11-28T01:36:12.285000Z",
"spacegroup": 225
},
{
"id": "mp-1185187",
"created_at": "2022-09-04T14:47:43.032195Z",
"structure_string": "Li3 Mo1\n1.0\n4.015207 0.000000 0.000000\n0.000000 4.015207 0.000000\n0.000000 0.000000 4.015207\nLi Mo\n3 1\ndirect\n0.000000 0.500000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.000000 Mo\n",
"nsites": 4,
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"elements": [
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"density": 2.9952323856449428,
"density_atomic": 0.06179255771605009,
"volume": 64.73271455085009,
"volume_molar": 9.745737970052987,
"formula_full": "Li3 Mo1",
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"formula_anonymous": "AB3",
"energy": -13.57891569,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:15.789000Z",
"spacegroup": 221
},
{
"id": "mp-1185402",
"created_at": "2022-09-04T14:43:09.142553Z",
"structure_string": "Li1 Mn1\n1.0\n2.547761 0.001504 0.003630\n-1.272577 2.207289 -0.003632\n0.006391 -0.003694 4.655817\nLi Mn\n1 1\ndirect\n0.666732 0.333363 0.750007 Li\n0.333272 0.666641 0.249990 Mn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Li",
"Mn"
],
"chemical_system": "Li-Mn",
"density": 3.9231260695105568,
"density_atomic": 0.07636064007769552,
"volume": 26.19150386855109,
"volume_molar": 7.886446150624961,
"formula_full": "Li1 Mn1",
"formula_reduced": "LiMn",
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"energy": -10.31764366,
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"updated_at": "2021-11-28T01:36:05.324000Z",
"spacegroup": 187
},
{
"id": "mp-976944",
"created_at": "2022-09-04T14:43:07.333715Z",
"structure_string": "Li5 Mg1\n1.0\n1.538335 5.645846 0.000000\n-1.538335 5.645846 0.000000\n0.000000 1.898588 6.986277\nLi Mg\n5 1\ndirect\n0.999195 0.999195 0.999716 Li\n0.278405 0.278405 0.943387 Li\n0.666617 0.666617 0.667761 Li\n0.943949 0.943949 0.612309 Li\n0.333582 0.333582 0.333710 Li\n0.611587 0.611587 0.276450 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"chemical_system": "Li-Mg",
"density": 0.8074561865715391,
"density_atomic": 0.04944194016011231,
"volume": 121.35446102174909,
"volume_molar": 12.18022743544844,
"formula_full": "Li5 Mg1",
"formula_reduced": "Li5Mg",
"formula_anonymous": "AB5",
"energy": -11.27878597,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:07.982000Z",
"spacegroup": 8
},
{
"id": "mp-1094586",
"created_at": "2022-09-04T14:43:14.340919Z",
"structure_string": "Li4 Mg2\n1.0\n2.632458 -4.570883 0.000000\n2.632458 4.570883 0.000000\n0.000000 0.000000 4.997474\nLi Mg\n4 2\ndirect\n0.999196 0.333323 0.750000 Li\n0.333323 0.999196 0.750000 Li\n0.666677 0.000804 0.250000 Li\n0.000804 0.666677 0.250000 Li\n0.669250 0.669250 0.750000 Mg\n0.330750 0.330750 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0545144605154653,
"density_atomic": 0.04988950048608822,
"volume": 120.2657862183469,
"volume_molar": 12.070958220315887,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy": -11.02749474,
"energy_per_atom": -1.83791579,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0009784,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.357000Z",
"spacegroup": 63
},
{
"id": "mp-1185370",
"created_at": "2022-09-04T14:42:42.907506Z",
"structure_string": "Li2 Mg2\n1.0\n3.340249 0.000000 0.000000\n0.000000 4.912625 0.000000\n0.000000 0.000000 4.933959\nLi Mg\n2 2\ndirect\n0.000000 0.750000 0.742883 Li\n0.000000 0.250000 0.257117 Li\n0.500000 0.250000 0.756127 Mg\n0.500000 0.750000 0.243873 Mg\n",
"nsites": 4,
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"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.2816974746776861,
"density_atomic": 0.049405124540183906,
"volume": 80.96326114402525,
"volume_molar": 12.189303874948969,
"formula_full": "Li2 Mg2",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -7.25054469,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:55.177000Z",
"spacegroup": 51
},
{
"id": "mp-976262",
"created_at": "2022-09-04T14:42:54.473890Z",
"structure_string": "Li3 Mg3\n1.0\n1.664903 5.436594 0.000000\n-1.664903 5.436594 0.000000\n0.000000 2.336044 6.799858\nLi Mg\n3 3\ndirect\n0.157202 0.157202 0.150636 Li\n0.500000 0.500000 0.000000 Li\n0.842798 0.842798 0.849364 Li\n0.177742 0.177742 0.682894 Mg\n0.500000 0.500000 0.500000 Mg\n0.822258 0.822258 0.317106 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
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"density": 1.2645007872871872,
"density_atomic": 0.048742250110771566,
"volume": 123.09649198312366,
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"formula_full": "Li3 Mg3",
"formula_reduced": "LiMg",
"formula_anonymous": "AB",
"energy": -10.71734978,
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"updated_at": "2021-11-28T01:35:58.758000Z",
"spacegroup": 12
},
{
"id": "mp-865939",
"created_at": "2022-09-04T14:40:10.668167Z",
"structure_string": "Li1 Mg2\n1.0\n-1.732726 1.732726 5.208159\n1.732726 -1.732726 5.208159\n1.732726 1.732726 -5.208159\nLi Mg\n1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.340940 0.340940 0.000000 Mg\n0.659060 0.659060 0.000000 Mg\n",
"nsites": 3,
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"elements": [
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"density": 1.4748130396346129,
"density_atomic": 0.047964204365892785,
"volume": 62.54664368274796,
"volume_molar": 12.555489744102434,
"formula_full": "Li1 Mg2",
"formula_reduced": "LiMg2",
"formula_anonymous": "AB2",
"energy": -5.26270695,
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"updated_at": "2021-11-28T01:34:48.961000Z",
"spacegroup": 139
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{
"id": "mp-976239",
"created_at": "2022-09-04T14:40:10.476349Z",
"structure_string": "Li3 Mg3\n1.0\n1.655390 -7.435039 0.000000\n1.655390 7.435039 0.000000\n0.000000 0.000000 4.957374\nLi Mg\n3 3\ndirect\n0.691223 0.308777 0.000000 Li\n0.527942 0.472058 0.500000 Li\n0.867461 0.132539 0.500000 Li\n0.029284 0.970716 0.000000 Mg\n0.353648 0.646352 0.000000 Mg\n0.197116 0.802884 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"density": 1.275555976596267,
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"volume": 122.02961993115115,
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"formula_full": "Li3 Mg3",
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"updated_at": "2021-11-28T01:34:56.981000Z",
"spacegroup": 38
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{
"id": "mp-1094603",
"created_at": "2022-09-04T14:40:36.840258Z",
"structure_string": "Li1 Mg3\n1.0\n0.000000 3.520183 3.520183\n3.520183 0.000000 3.520183\n3.520183 3.520183 0.000000\nLi Mg\n1 3\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
"nsites": 4,
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"elements": [
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"formula_full": "Li1 Mg3",
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"updated_at": "2021-11-28T01:35:02.591000Z",
"spacegroup": 225
},
{
"id": "mp-1094590",
"created_at": "2022-09-04T14:40:34.125025Z",
"structure_string": "Li5 Mg1\n1.0\n1.562293 -2.705971 0.000000\n1.562293 2.705971 0.000000\n0.000000 0.000000 14.599611\nLi Mg\n5 1\ndirect\n0.666667 0.333333 0.170634 Li\n0.000000 0.000000 0.335235 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.664765 Li\n0.666667 0.333333 0.829366 Li\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 6,
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"volume": 123.44028189367651,
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"formula_full": "Li5 Mg1",
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"updated_at": "2021-11-28T01:35:02.857000Z",
"spacegroup": 187
}
]
}