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"results": [
{
"id": "mp-1208620",
"created_at": "2022-09-04T14:47:59.904459Z",
"structure_string": "Zn24 Si2 Ni8\n1.0\n-15.996837 -15.996837 0.000000\n-15.996837 -0.000000 -15.996837\n0.000000 -15.996837 -15.996837\nZn Si Ni\n24 2 8\ndirect\n0.560286 0.560286 0.189989 Zn\n0.689440 0.189989 0.560286 Zn\n0.189989 0.689440 0.560286 Zn\n0.560286 0.189989 0.560286 Zn\n0.060560 0.189714 0.560011 Zn\n0.189714 0.189714 0.560011 Zn\n0.560286 0.560286 0.689440 Zn\n0.189989 0.560286 0.689440 Zn\n0.189714 0.560011 0.189714 Zn\n0.060560 0.560011 0.189714 Zn\n0.689440 0.560286 0.189989 Zn\n0.189714 0.060560 0.189714 Zn\n0.560011 0.060560 0.189714 Zn\n0.560286 0.689440 0.560286 Zn\n0.560011 0.189714 0.060560 Zn\n0.189714 0.189714 0.060560 Zn\n0.189989 0.560286 0.560286 Zn\n0.560286 0.189989 0.689440 Zn\n0.689440 0.560286 0.560286 Zn\n0.560286 0.689440 0.189989 Zn\n0.189714 0.560011 0.060560 Zn\n0.560011 0.189714 0.189714 Zn\n0.189714 0.060560 0.560011 Zn\n0.060560 0.189714 0.189714 Zn\n-0.000000 -0.000000 0.000000 Si\n0.750000 0.750000 0.750000 Si\n0.787865 0.787865 0.787865 Ni\n0.636404 0.787865 0.787865 Ni\n0.787865 0.636404 0.787865 Ni\n0.113596 0.962135 0.962135 Ni\n0.962135 0.962135 0.962135 Ni\n0.787865 0.787865 0.636404 Ni\n0.962135 0.113596 0.962135 Ni\n0.962135 0.962135 0.113596 Ni\n",
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"elements": [
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],
"chemical_system": "Ni-Si-Zn",
"density": 0.42502208374103917,
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"volume": 8187.142592375334,
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"formula_full": "Zn24 Si2 Ni8",
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"spacegroup": 227
},
{
"id": "mp-1095720",
"created_at": "2022-09-04T14:48:05.109895Z",
"structure_string": "Ti2 Be1 Mo1\n1.0\n-4.789315 5.382487 7.604198\n4.789315 -5.382487 7.604198\n4.789315 5.382487 -7.604198\nTi Be Mo\n2 1 1\ndirect\n0.000000 0.273700 0.273700 Ti\n0.000000 0.726300 0.726300 Ti\n0.000000 0.000000 0.000000 Be\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Be-Mo-Ti",
"density": 0.4250076707849961,
"density_atomic": 0.005101409559790181,
"volume": 784.0970134075098,
"volume_molar": 118.04856460589079,
"formula_full": "Ti2 Be1 Mo1",
"formula_reduced": "Ti2BeMo",
"formula_anonymous": "ABC2",
"energy": -16.36506535,
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"energy_uncorrected": -16.36506535,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:24.110000Z",
"spacegroup": 71
},
{
"id": "mp-1093898",
"created_at": "2022-09-04T14:47:38.516960Z",
"structure_string": "Mn2 Be1 Cr1\n1.0\n-4.798721 5.125782 6.790542\n4.798721 -5.125782 6.790542\n4.798721 5.125782 -6.790542\nMn Be Cr\n2 1 1\ndirect\n0.224920 0.000000 0.224920 Mn\n0.775080 0.000000 0.775080 Mn\n0.000000 0.000000 0.000000 Be\n0.500000 0.000000 0.500000 Cr\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Be",
"Cr"
],
"chemical_system": "Be-Cr-Mn",
"density": 0.4247186979490389,
"density_atomic": 0.005987009235313637,
"volume": 668.1132169308329,
"volume_molar": 100.58679589934728,
"formula_full": "Mn2 Be1 Cr1",
"formula_reduced": "Mn2BeCr",
"formula_anonymous": "ABC2",
"energy": -19.86586781,
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"updated_at": "2021-11-28T01:38:16.805000Z",
"spacegroup": 71
},
{
"id": "mp-1097081",
"created_at": "2022-09-04T14:40:00.968672Z",
"structure_string": "Al2 Fe1 Tc1\n1.0\n-4.953993 5.309016 7.723454\n4.953993 -5.309016 7.723454\n4.953993 5.309016 -7.723454\nAl Fe Tc\n2 1 1\ndirect\n0.000000 0.250981 0.250981 Al\n0.000000 0.749019 0.749019 Al\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Al-Fe-Tc",
"density": 0.42468854105579595,
"density_atomic": 0.004922877317842526,
"volume": 812.5329439964632,
"volume_molar": 122.32969402209747,
"formula_full": "Al2 Fe1 Tc1",
"formula_reduced": "Al2FeTc",
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"energy": -15.32352257,
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"energy_uncorrected": -15.32352257,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:46.212000Z",
"spacegroup": 71
},
{
"id": "mp-1097631",
"created_at": "2022-09-04T14:42:04.257047Z",
"structure_string": "Ba2 Mg1 Tl1\n1.0\n-6.718384 7.199873 10.180575\n6.718384 -7.199873 10.180575\n6.718384 7.199873 -10.180575\nBa Mg Tl\n2 1 1\ndirect\n0.000000 0.259968 0.259968 Ba\n0.000000 0.740032 0.740032 Ba\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
"nsites": 4,
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"elements": [
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"Mg",
"Tl"
],
"chemical_system": "Ba-Mg-Tl",
"density": 0.4243171338101535,
"density_atomic": 0.002030663830611936,
"volume": 1969.7992054128472,
"volume_molar": 296.56020209830797,
"formula_full": "Ba2 Mg1 Tl1",
"formula_reduced": "Ba2MgTl",
"formula_anonymous": "ABC2",
"energy": -2.74159245,
"energy_per_atom": -0.6853981125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -2.74159245,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.8060041,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.515000Z",
"spacegroup": 71
},
{
"id": "mp-1093727",
"created_at": "2022-09-04T14:41:48.641620Z",
"structure_string": "Li1 Mg2 Au1\n1.0\n-5.534827 5.623704 7.949642\n5.534827 -5.623704 7.949642\n5.534827 5.623704 -7.949642\nLi Mg Au\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.260442 0.260442 Mg\n0.000000 0.739558 0.739558 Mg\n0.000000 0.500000 0.500000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Mg",
"Au"
],
"chemical_system": "Au-Li-Mg",
"density": 0.42364943336941074,
"density_atomic": 0.0040413449751316105,
"volume": 989.7695011472599,
"volume_molar": 149.0132813965945,
"formula_full": "Li1 Mg2 Au1",
"formula_reduced": "LiMg2Au",
"formula_anonymous": "ABC2",
"energy": -5.31829493,
"energy_per_atom": -1.3295737325,
"energy_above_hull": null,
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"energy_uncorrected": -5.31829493,
"band_gap": 1.1865,
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"is_magnetic": false,
"total_magnetization": 5.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:29.365000Z",
"spacegroup": 71
},
{
"id": "mp-1096315",
"created_at": "2022-09-04T14:44:59.048070Z",
"structure_string": "Ti2 Fe1 Co1\n1.0\n-3.957539 6.156583 8.467853\n3.957539 -6.156583 8.467853\n3.957539 6.156583 -8.467853\nTi Fe Co\n2 1 1\ndirect\n0.000000 0.245095 0.245095 Ti\n0.000000 0.754905 0.754905 Ti\n0.000000 0.000000 0.000000 Fe\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Fe",
"Co"
],
"chemical_system": "Co-Fe-Ti",
"density": 0.4235728484114848,
"density_atomic": 0.004846874198674544,
"volume": 825.2741532045261,
"volume_molar": 124.24792790468653,
"formula_full": "Ti2 Fe1 Co1",
"formula_reduced": "Ti2FeCo",
"formula_anonymous": "ABC2",
"energy": -19.21716942,
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"energy_uncorrected": -19.21716942,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:36:45.520000Z",
"spacegroup": 71
},
{
"id": "mp-1096612",
"created_at": "2022-09-04T14:48:16.236432Z",
"structure_string": "Mg2 Tl1 Cd1\n1.0\n-6.240350 6.504374 8.823433\n6.240350 -6.504374 8.823433\n6.240350 6.504374 -8.823433\nMg Tl Cd\n2 1 1\ndirect\n0.248040 0.000000 0.248040 Mg\n0.751960 0.000000 0.751960 Mg\n0.500000 0.000000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-Mg-Tl",
"density": 0.4235558788384849,
"density_atomic": 0.0027922092027623468,
"volume": 1432.5574158421869,
"volume_molar": 215.6765601245876,
"formula_full": "Mg2 Tl1 Cd1",
"formula_reduced": "Mg2TlCd",
"formula_anonymous": "ABC2",
"energy": -1.84454106,
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"updated_at": "2021-11-28T01:40:09.403000Z",
"spacegroup": 71
},
{
"id": "mp-1097198",
"created_at": "2022-09-04T14:44:21.280262Z",
"structure_string": "Y2 Ni1 Rh1\n1.0\n-4.971642 6.764998 9.898568\n4.971642 -6.764998 9.898568\n4.971642 6.764998 -9.898568\nY Ni Rh\n2 1 1\ndirect\n0.000000 0.253813 0.253813 Y\n0.000000 0.746187 0.746187 Y\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Rh\n",
"nsites": 4,
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"elements": [
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"density": 0.4232282181174944,
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"volume": 1331.6800175211401,
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"formula_full": "Y2 Ni1 Rh1",
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"updated_at": "2021-11-28T01:36:38.755000Z",
"spacegroup": 71
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{
"id": "mp-674158",
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"structure_string": "P1\n1.0\n0.000000 3.936770 3.936770\n3.936770 0.000000 3.936770\n3.936770 3.936770 0.000000\nP\n1\ndirect\n0.000000 0.000000 0.000000 P\n",
"nsites": 1,
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"updated_at": "2021-11-28T01:35:26.730000Z",
"spacegroup": 225
},
{
"id": "mp-1214258",
"created_at": "2022-09-04T14:41:45.901829Z",
"structure_string": "Ca2 Mn1 Si2\n1.0\n6.116838 0.000000 0.000000\n0.000000 6.116838 0.000000\n0.000000 0.000000 20.139177\nCa Mn Si\n2 1 2\ndirect\n0.500000 0.500000 0.161027 Ca\n0.500000 0.500000 0.838973 Ca\n0.500000 0.500000 0.000000 Mn\n0.500000 0.500000 0.702277 Si\n0.500000 0.500000 0.297723 Si\n",
"nsites": 5,
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"elements": [
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],
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"density": 0.42149170125480906,
"density_atomic": 0.006635510307190488,
"volume": 753.521548234476,
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"formula_full": "Ca2 Mn1 Si2",
"formula_reduced": "Ca2MnSi2",
"formula_anonymous": "AB2C2",
"energy": -11.946056600000002,
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"updated_at": "2021-11-28T01:35:22.538000Z",
"spacegroup": 123
},
{
"id": "mp-1093931",
"created_at": "2022-09-04T14:41:00.215002Z",
"structure_string": "Ba2 Cd1 Ag1\n1.0\n-6.961103 7.128764 9.828739\n6.961103 -7.128764 9.828739\n6.961103 7.128764 -9.828739\nBa Cd Ag\n2 1 1\ndirect\n0.766302 0.000000 0.766302 Ba\n0.233698 0.000000 0.233698 Ba\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Ag\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ag-Ba-Cd",
"density": 0.4212555088935082,
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"volume": 1950.9677537893353,
"volume_molar": 293.72506078851,
"formula_full": "Ba2 Cd1 Ag1",
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"formula_anonymous": "ABC2",
"energy": -3.34931346,
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"updated_at": "2021-11-28T01:35:11.348000Z",
"spacegroup": 71
}
]
}