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{
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{
"id": "mp-1038936",
"created_at": "2022-09-04T14:44:09.535554Z",
"structure_string": "Mg2 Bi2\n1.0\n1.782752 5.910525 0.000000\n-1.782752 5.910525 0.000000\n0.000000 1.058922 5.217804\nMg Bi\n2 2\ndirect\n0.872898 0.872898 0.791443 Mg\n0.127102 0.127102 0.208557 Mg\n0.618449 0.618449 0.721976 Bi\n0.381551 0.381551 0.278024 Bi\n",
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{
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"formula_full": "Mg1 Al1",
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"spacegroup": 221
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{
"id": "mp-1038921",
"created_at": "2022-09-04T14:46:24.436504Z",
"structure_string": "Mg5 Bi1\n1.0\n5.594204 -2.811317 0.000000\n5.594204 2.811317 0.000000\n4.181402 0.000000 4.659881\nMg Bi\n5 1\ndirect\n0.000000 0.668213 0.331787 Mg\n0.167025 0.167025 0.167025 Mg\n0.331787 0.000000 0.668213 Mg\n0.668213 0.331787 0.000000 Mg\n0.832975 0.832975 0.832975 Mg\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 6,
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"elements": [
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"density": 3.7443351685955455,
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"volume": 146.5726500729138,
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"formula_full": "Mg5 Bi1",
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"updated_at": "2021-11-28T01:37:40.424000Z",
"spacegroup": 155
},
{
"id": "mp-1038916",
"created_at": "2022-09-04T14:43:33.907013Z",
"structure_string": "Mg1 Al3\n1.0\n-2.063268 2.063268 4.174425\n2.063268 -2.063268 4.174425\n2.063268 2.063268 -4.174425\nMg Al\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Al\n0.250000 0.750000 0.500000 Al\n0.750000 0.250000 0.500000 Al\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Al-Mg",
"density": 2.4586781257726416,
"density_atomic": 0.05627196127799125,
"volume": 71.0833585529292,
"volume_molar": 10.70184977248224,
"formula_full": "Mg1 Al3",
"formula_reduced": "MgAl3",
"formula_anonymous": "AB3",
"energy": -12.80277021,
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"updated_at": "2021-11-28T01:36:29.772000Z",
"spacegroup": 139
},
{
"id": "mp-1038915",
"created_at": "2022-09-04T14:47:55.314236Z",
"structure_string": "Ca1 Zn1\n1.0\n1.959085 -3.393235 0.000000\n1.959085 3.393235 0.000000\n0.000000 0.000000 4.330628\nCa Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Ca\n0.666667 0.333333 0.500000 Zn\n",
"nsites": 2,
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"elements": [
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"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.0422853513239145,
"density_atomic": 0.034736167725103635,
"volume": 57.5768753717357,
"volume_molar": 17.336802400478486,
"formula_full": "Ca1 Zn1",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -3.36800022,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.649000Z",
"spacegroup": 187
},
{
"id": "mp-1038906",
"created_at": "2022-09-04T14:41:36.725169Z",
"structure_string": "Mg4 Bi2\n1.0\n1.679616 6.497064 0.000000\n-1.679616 6.497064 0.000000\n0.000000 2.191469 7.215180\nMg Bi\n4 2\ndirect\n0.308115 0.308115 0.129211 Mg\n0.028131 0.028131 0.182070 Mg\n0.971869 0.971869 0.817930 Mg\n0.691885 0.691885 0.870789 Mg\n0.631689 0.631689 0.474438 Bi\n0.368311 0.368311 0.525562 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
],
"chemical_system": "Bi-Mg",
"density": 5.432559016417219,
"density_atomic": 0.038101926657799524,
"volume": 157.47235182848138,
"volume_molar": 15.805344475322638,
"formula_full": "Mg4 Bi2",
"formula_reduced": "Mg2Bi",
"formula_anonymous": "AB2",
"energy": -14.226710519999996,
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"updated_at": "2021-11-28T01:35:25.096000Z",
"spacegroup": 12
},
{
"id": "mp-1038902",
"created_at": "2022-09-04T14:48:05.435926Z",
"structure_string": "Ce3 Mg1\n1.0\n-1.628095 3.017253 5.512474\n1.628095 -3.017253 5.512474\n1.628095 3.017253 -5.512474\nCe Mg\n3 1\ndirect\n0.152745 0.500000 0.652745 Ce\n0.255445 0.249943 0.005502 Ce\n0.755560 0.750057 0.005502 Ce\n0.669585 0.000000 0.669585 Mg\n",
"nsites": 4,
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"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 6.816670604224797,
"density_atomic": 0.03692852620572203,
"volume": 108.31734734597137,
"volume_molar": 16.307557811681303,
"formula_full": "Ce3 Mg1",
"formula_reduced": "Ce3Mg",
"formula_anonymous": "AB3",
"energy": -19.0515967,
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"energy_above_hull": null,
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"energy_uncorrected": -19.0515967,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:25.697000Z",
"spacegroup": 44
},
{
"id": "mp-1038899",
"created_at": "2022-09-04T14:39:20.155152Z",
"structure_string": "Mg4 Bi2\n1.0\n1.683745 6.035169 0.000000\n-1.683745 6.035169 0.000000\n0.000000 1.452385 7.711491\nMg Bi\n4 2\ndirect\n0.998854 0.998854 0.999216 Mg\n0.340279 0.340279 0.327437 Mg\n0.662202 0.662202 0.671496 Mg\n0.277164 0.277164 0.944970 Mg\n0.628371 0.628371 0.255281 Bi\n0.926463 0.926463 0.634933 Bi\n",
"nsites": 6,
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"elements": [
"Mg",
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],
"chemical_system": "Bi-Mg",
"density": 5.458516907972793,
"density_atomic": 0.0382839855507177,
"volume": 156.7234945288375,
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"formula_full": "Mg4 Bi2",
"formula_reduced": "Mg2Bi",
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"updated_at": "2021-11-28T01:34:31.269000Z",
"spacegroup": 8
},
{
"id": "mp-1038896",
"created_at": "2022-09-04T14:44:26.826465Z",
"structure_string": "Mg2 Bi4\n1.0\n1.781397 6.660722 0.000000\n-1.781397 6.660722 0.000000\n0.000000 2.447953 7.542695\nMg Bi\n2 4\ndirect\n0.800537 0.800537 0.643833 Mg\n0.199463 0.199463 0.356167 Mg\n0.156538 0.156538 0.966330 Bi\n0.556693 0.556693 0.655560 Bi\n0.443307 0.443307 0.344440 Bi\n0.843462 0.843462 0.033670 Bi\n",
"nsites": 6,
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"elements": [
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"density": 8.205855847321612,
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"volume": 178.99403849771744,
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"formula_full": "Mg2 Bi4",
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"updated_at": "2021-11-28T01:36:36.661000Z",
"spacegroup": 12
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{
"id": "mp-1038887",
"created_at": "2022-09-04T14:43:53.524204Z",
"structure_string": "Ce1 Mg1\n1.0\n5.998397 -1.552547 0.000000\n5.998397 1.552547 0.000000\n5.596556 0.000000 2.658896\nCe Mg\n1 1\ndirect\n0.000000 0.000000 0.000000 Ce\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 2,
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"density": 5.513089896030888,
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"volume": 49.52349753375198,
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"updated_at": "2021-11-28T01:36:28.521000Z",
"spacegroup": 166
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{
"id": "mp-1038882",
"created_at": "2022-09-04T14:41:51.667612Z",
"structure_string": "Mg2 Cd4\n1.0\n1.608388 -8.025904 0.000000\n1.608388 8.025904 0.000000\n0.000000 0.000000 5.174618\nMg Cd\n2 4\ndirect\n0.279081 0.720919 0.250000 Mg\n0.720919 0.279081 0.750000 Mg\n0.615284 0.384716 0.250000 Cd\n0.945249 0.054751 0.250000 Cd\n0.054751 0.945249 0.750000 Cd\n0.384716 0.615284 0.750000 Cd\n",
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"volume": 133.59588321797358,
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"formula_full": "Mg2 Cd4",
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"updated_at": "2021-11-28T01:35:28.711000Z",
"spacegroup": 63
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{
"id": "mp-1038879",
"created_at": "2022-09-04T14:39:40.509533Z",
"structure_string": "Ca3 Zn1\n1.0\n5.079506 0.000000 0.000000\n0.000000 5.079506 0.000000\n0.000000 0.000000 5.079506\nCa Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Zn\n",
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"updated_at": "2021-11-28T01:34:25.397000Z",
"spacegroup": 221
}
]
}