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{
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"results": [
{
"id": "mp-1039345",
"created_at": "2022-09-04T14:48:02.959034Z",
"structure_string": "Ce2 Mg4\n1.0\n1.600313 -8.936033 0.000000\n1.600313 8.936033 0.000000\n0.000000 0.000000 5.218983\nCe Mg\n2 4\ndirect\n0.461301 0.538699 0.250000 Ce\n0.538699 0.461301 0.750000 Ce\n0.125650 0.874350 0.250000 Mg\n0.781444 0.218556 0.250000 Mg\n0.218556 0.781444 0.750000 Mg\n0.874350 0.125650 0.750000 Mg\n",
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"density": 4.198993993184869,
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"formula_full": "Ce2 Mg4",
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{
"id": "mp-1039344",
"created_at": "2022-09-04T14:39:32.540776Z",
"structure_string": "Sn3 Bi1\n1.0\n-2.351252 2.351252 5.283086\n2.351252 -2.351252 5.283086\n2.351252 2.351252 -5.283086\nSn Bi\n3 1\ndirect\n0.500000 0.500000 0.000000 Sn\n0.250000 0.750000 0.500000 Sn\n0.750000 0.250000 0.500000 Sn\n0.000000 0.000000 0.000000 Bi\n",
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"formula_full": "Sn3 Bi1",
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"updated_at": "2021-11-28T01:34:35.270000Z",
"spacegroup": 139
},
{
"id": "mp-1039340",
"created_at": "2022-09-04T14:39:22.104579Z",
"structure_string": "Ca4 Mg2\n1.0\n3.155806 -5.494422 0.000000\n3.155806 5.494422 0.000000\n0.000000 0.000000 5.945419\nCa Mg\n4 2\ndirect\n0.159901 0.479066 0.750000 Ca\n0.479066 0.159901 0.750000 Ca\n0.520934 0.840099 0.250000 Ca\n0.840099 0.520934 0.250000 Ca\n0.834465 0.834465 0.750000 Mg\n0.165535 0.165535 0.250000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.68262950417114,
"density_atomic": 0.02910090385277579,
"volume": 206.17916303749755,
"volume_molar": 20.69399902651333,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.30925415,
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"energy_uncorrected": -11.30925415,
"band_gap": 0.0,
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"total_magnetization": 0.001488,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:44.409000Z",
"spacegroup": 63
},
{
"id": "mp-1039334",
"created_at": "2022-09-04T14:42:28.731358Z",
"structure_string": "Mg3 Bi3\n1.0\n1.684245 6.442166 0.000000\n-1.684245 6.442166 0.000000\n0.000000 1.714782 7.646384\nMg Bi\n3 3\ndirect\n0.002547 0.002547 0.996303 Mg\n0.948816 0.948816 0.618315 Mg\n0.661470 0.661470 0.669038 Mg\n0.593859 0.593859 0.300751 Bi\n0.335979 0.335979 0.344878 Bi\n0.290662 0.290662 0.904048 Bi\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Bi"
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"chemical_system": "Bi-Mg",
"density": 7.003814476692236,
"density_atomic": 0.03615996256100226,
"volume": 165.9293753382054,
"volume_molar": 16.654167575092426,
"formula_full": "Mg3 Bi3",
"formula_reduced": "MgBi",
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"energy": -16.4799729,
"energy_per_atom": -2.74666215,
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"energy_uncorrected": -16.4799729,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:54.884000Z",
"spacegroup": 8
},
{
"id": "mp-1039332",
"created_at": "2022-09-04T14:44:15.810180Z",
"structure_string": "Ca4 Mg2\n1.0\n6.331842 -3.184412 0.000000\n6.331842 3.184412 0.000000\n4.730336 0.000000 5.277938\nCa Mg\n4 2\ndirect\n0.000000 0.671482 0.328518 Ca\n0.671482 0.328518 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.328518 0.000000 0.671482 Ca\n0.833417 0.833417 0.833417 Mg\n0.166583 0.166583 0.166583 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.629970224953825,
"density_atomic": 0.028190167046092705,
"volume": 212.8401719007064,
"volume_molar": 21.362557909477513,
"formula_full": "Ca4 Mg2",
"formula_reduced": "Ca2Mg",
"formula_anonymous": "AB2",
"energy": -11.04040418,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0025899,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.728000Z",
"spacegroup": 155
},
{
"id": "mp-1039330",
"created_at": "2022-09-04T14:42:12.887839Z",
"structure_string": "Ca2 Mg4\n1.0\n1.720700 -8.956400 0.000000\n1.720700 8.956400 0.000000\n0.000000 0.000000 5.617301\nCa Mg\n2 4\ndirect\n0.286474 0.713526 0.250000 Ca\n0.713526 0.286474 0.750000 Ca\n0.604934 0.395066 0.250000 Mg\n0.953311 0.046689 0.250000 Mg\n0.046689 0.953311 0.750000 Mg\n0.395066 0.604934 0.750000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ca",
"Mg"
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"chemical_system": "Ca-Mg",
"density": 1.7011696374186955,
"density_atomic": 0.03465412350052056,
"volume": 173.13956879936296,
"volume_molar": 17.377847573924466,
"formula_full": "Ca2 Mg4",
"formula_reduced": "CaMg2",
"formula_anonymous": "AB2",
"energy": -10.08990941,
"energy_per_atom": -1.6816515683333335,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -10.08990941,
"band_gap": 0.0,
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"total_magnetization": 6.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.428000Z",
"spacegroup": 63
},
{
"id": "mp-1039319",
"created_at": "2022-09-04T14:48:10.585572Z",
"structure_string": "Mg4 Cd2\n1.0\n1.593654 5.919102 0.000000\n-1.593654 5.919102 0.000000\n0.000000 1.892188 7.060701\nMg Cd\n4 2\ndirect\n0.304871 0.304871 0.141184 Mg\n0.027297 0.027297 0.197892 Mg\n0.972703 0.972703 0.802108 Mg\n0.695129 0.695129 0.858816 Mg\n0.637794 0.637794 0.472472 Cd\n0.362206 0.362206 0.527528 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 4.0145228578599745,
"density_atomic": 0.04504261259579487,
"volume": 133.2071932381683,
"volume_molar": 13.369874465412826,
"formula_full": "Mg4 Cd2",
"formula_reduced": "Mg2Cd",
"formula_anonymous": "AB2",
"energy": -8.4833776,
"energy_per_atom": -1.4138962666666668,
"energy_above_hull": null,
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"formation_energy": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:32.345000Z",
"spacegroup": 12
},
{
"id": "mp-1039318",
"created_at": "2022-09-04T14:40:58.059293Z",
"structure_string": "Ca1 Mg5\n1.0\n5.851470 -2.829684 0.000000\n5.851470 2.829684 0.000000\n4.483077 0.000000 4.706255\nCa Mg\n1 5\ndirect\n0.500000 0.500000 0.500000 Ca\n0.328824 0.000000 0.671176 Mg\n0.834117 0.834117 0.834117 Mg\n0.000000 0.671176 0.328824 Mg\n0.671176 0.328824 0.000000 Mg\n0.165883 0.165883 0.165883 Mg\n",
"nsites": 6,
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"elements": [
"Ca",
"Mg"
],
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"density": 1.7218294975837098,
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"volume": 155.85056194956584,
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"formula_full": "Ca1 Mg5",
"formula_reduced": "CaMg5",
"formula_anonymous": "AB5",
"energy": -9.94183347,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:00.349000Z",
"spacegroup": 155
},
{
"id": "mp-1039317",
"created_at": "2022-09-04T14:47:00.542360Z",
"structure_string": "Ca4 Mg2\n1.0\n1.869333 -9.449634 0.000000\n1.869333 9.449634 0.000000\n0.000000 0.000000 5.916778\nCa Mg\n4 2\ndirect\n0.092438 0.907562 0.250000 Ca\n0.786259 0.213741 0.250000 Ca\n0.213741 0.786259 0.750000 Ca\n0.907562 0.092438 0.750000 Ca\n0.441768 0.558232 0.250000 Mg\n0.558232 0.441768 0.750000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 209.0339999419324,
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"formula_full": "Ca4 Mg2",
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"energy": -11.40551842,
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"updated_at": "2021-11-28T01:37:51.089000Z",
"spacegroup": 63
},
{
"id": "mp-1039309",
"created_at": "2022-09-04T14:39:45.455777Z",
"structure_string": "Mg4 Cd2\n1.0\n1.566977 -2.714084 0.000000\n1.566977 2.714084 0.000000\n0.000000 0.000000 15.938961\nMg Cd\n4 2\ndirect\n0.333333 0.666667 0.751555 Mg\n0.666667 0.333333 0.583574 Mg\n0.333333 0.666667 0.416426 Mg\n0.666667 0.333333 0.248445 Mg\n0.666667 0.333333 0.915454 Cd\n0.333333 0.666667 0.084546 Cd\n",
"nsites": 6,
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"density": 3.9444431596617107,
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"volume": 135.5738441245178,
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"formula_full": "Mg4 Cd2",
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"energy": -8.20337758,
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"updated_at": "2021-11-28T01:34:34.843000Z",
"spacegroup": 164
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{
"id": "mp-1039305",
"created_at": "2022-09-04T14:41:22.594112Z",
"structure_string": "Mg1 Bi1\n1.0\n4.391520 -1.957504 0.000000\n4.391520 1.957504 0.000000\n3.518970 0.000000 3.276297\nMg Bi\n1 1\ndirect\n0.500000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Bi\n",
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"formula_full": "Mg1 Bi1",
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"updated_at": "2021-11-28T01:35:19.904000Z",
"spacegroup": 166
},
{
"id": "mp-1039304",
"created_at": "2022-09-04T14:44:07.316450Z",
"structure_string": "Ce2 Mg4\n1.0\n1.604986 5.737927 0.000000\n-1.604986 5.737927 0.000000\n0.000000 1.978536 8.102250\nCe Mg\n2 4\ndirect\n0.644561 0.644561 0.472532 Ce\n0.355439 0.355439 0.527468 Ce\n0.308710 0.308710 0.127467 Mg\n0.028179 0.028179 0.183254 Mg\n0.971821 0.971821 0.816746 Mg\n0.691290 0.691290 0.872533 Mg\n",
"nsites": 6,
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"elements": [
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],
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"density": 4.199996476387444,
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"volume": 149.2319803814245,
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"formula_full": "Ce2 Mg4",
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"energy": -18.23863048,
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"updated_at": "2021-11-28T01:36:31.385000Z",
"spacegroup": 12
}
]
}