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"results": [
{
"id": "mp-1093982",
"created_at": "2022-09-04T14:42:15.431099Z",
"structure_string": "Ti1 Cd1 Pd2\n1.0\n-4.956240 6.534815 9.213601\n4.956240 -6.534815 9.213601\n4.956240 6.534815 -9.213601\nTi Cd Pd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.000000 0.500000 0.500000 Cd\n0.000000 0.222410 0.222410 Pd\n0.000000 0.777590 0.777590 Pd\n",
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"volume": 1193.6445458558867,
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{
"id": "mp-1248407",
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"nsites": 4,
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"elements": [
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"chemical_system": "Al-Ni-Pt",
"density": 0.5190666617247884,
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"updated_at": "2021-11-28T01:38:17.722000Z",
"spacegroup": 2
},
{
"id": "mp-1093611",
"created_at": "2022-09-04T14:39:12.441175Z",
"structure_string": "Li2 Cd1 Rh1\n1.0\n-4.400583 5.386036 7.728558\n4.400583 -5.386036 7.728558\n4.400583 5.386036 -7.728558\nLi Cd Rh\n2 1 1\ndirect\n0.778203 0.000000 0.778203 Li\n0.221797 0.000000 0.221797 Li\n0.500000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Cd-Li-Rh",
"density": 0.5194251072268911,
"density_atomic": 0.005459112709864014,
"volume": 732.7198049551974,
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"formula_full": "Li2 Cd1 Rh1",
"formula_reduced": "Li2CdRh",
"formula_anonymous": "ABC2",
"energy": -6.44524085,
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"energy_uncorrected": -6.44524085,
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"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.560000Z",
"spacegroup": 71
},
{
"id": "mp-1096160",
"created_at": "2022-09-04T14:45:59.545149Z",
"structure_string": "Sr2 In1 Hg1\n1.0\n-6.607176 6.733677 8.811030\n6.607176 -6.733677 8.811030\n6.607176 6.733677 -8.811030\nSr In Hg\n2 1 1\ndirect\n0.759600 0.000000 0.759600 Sr\n0.240400 0.000000 0.240400 Sr\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"In",
"Hg"
],
"chemical_system": "Hg-In-Sr",
"density": 0.5195942102289478,
"density_atomic": 0.0025509689008503815,
"volume": 1568.0316599181492,
"volume_molar": 236.07268430408863,
"formula_full": "Sr2 In1 Hg1",
"formula_reduced": "Sr2InHg",
"formula_anonymous": "ABC2",
"energy": -2.59934461,
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"energy_above_hull": null,
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"energy_uncorrected": -2.59934461,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:17.424000Z",
"spacegroup": 71
},
{
"id": "mp-1096361",
"created_at": "2022-09-04T14:42:40.369276Z",
"structure_string": "Mn1 Si2 Tc1\n1.0\n-4.722668 4.998373 7.073366\n4.722668 -4.998373 7.073366\n4.722668 4.998373 -7.073366\nMn Si Tc\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.000000 0.251153 0.251153 Si\n0.000000 0.748847 0.748847 Si\n0.000000 0.500000 0.500000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mn-Si-Tc",
"density": 0.519899878834146,
"density_atomic": 0.005989047967825872,
"volume": 667.8857844332927,
"volume_molar": 100.55255513650762,
"formula_full": "Mn1 Si2 Tc1",
"formula_reduced": "MnSi2Tc",
"formula_anonymous": "ABC2",
"energy": -20.43157609,
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"energy_uncorrected": -20.43157609,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:55.369000Z",
"spacegroup": 71
},
{
"id": "mp-1248716",
"created_at": "2022-09-04T14:41:52.074761Z",
"structure_string": "Al2 Os1 Pd1\n1.0\n-8.232173 -0.003125 -4.757951\n-9.601492 -0.592910 7.132116\n-5.662880 10.547170 0.310236\nAl Os Pd\n2 1 1\ndirect\n0.749568 0.000040 0.000040 Al\n0.250432 0.999960 0.999960 Al\n0.500000 0.000000 0.000000 Os\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"elements": [
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"Os",
"Pd"
],
"chemical_system": "Al-Os-Pd",
"density": 0.5204355672422981,
"density_atomic": 0.0035756067840434272,
"volume": 1118.6912436374375,
"volume_molar": 168.42290340410256,
"formula_full": "Al2 Os1 Pd1",
"formula_reduced": "Al2OsPd",
"formula_anonymous": "ABC2",
"energy": -14.75807907,
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"formation_energy": null,
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"energy_uncorrected": -14.75807907,
"band_gap": 0.3803999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.0000026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:34.666000Z",
"spacegroup": 71
},
{
"id": "mp-1097360",
"created_at": "2022-09-04T14:39:12.014550Z",
"structure_string": "Ba2 Sb1 I1\n1.0\n-6.570421 6.712476 9.464604\n6.570421 -6.712476 9.464604\n6.570421 6.712476 -9.464604\nBa Sb I\n2 1 1\ndirect\n0.000000 0.234663 0.234663 Ba\n0.000000 0.765337 0.765337 Ba\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.500000 I\n",
"nsites": 4,
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"elements": [
"Ba",
"Sb",
"I"
],
"chemical_system": "Ba-I-Sb",
"density": 0.5204473212666996,
"density_atomic": 0.0023956402898725293,
"volume": 1669.6997528843688,
"volume_molar": 251.37917347017213,
"formula_full": "Ba2 Sb1 I1",
"formula_reduced": "Ba2SbI",
"formula_anonymous": "ABC2",
"energy": -10.75172194,
"energy_per_atom": -2.687930485,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -10.18072194,
"band_gap": 0.8340000000000001,
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"total_magnetization": 0.0003051,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:43.169000Z",
"spacegroup": 71
},
{
"id": "mp-604313",
"created_at": "2022-09-04T14:46:53.760565Z",
"structure_string": "Li4\n1.0\n4.457586 0.000000 0.000000\n0.000000 4.457586 0.000000\n0.000000 0.000000 4.457586\nLi\n4\ndirect\n0.875000 0.125000 0.625000 Li\n0.375000 0.375000 0.375000 Li\n0.125000 0.625000 0.875000 Li\n0.625000 0.875000 0.125000 Li\n",
"nsites": 4,
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"elements": [
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"density": 0.5205134318254991,
"density_atomic": 0.04516071394621916,
"volume": 88.57255898929115,
"volume_molar": 13.334910442672868,
"formula_full": "Li4",
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"formula_anonymous": "A",
"energy": -6.58849649,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:39.145000Z",
"spacegroup": 213
},
{
"id": "mp-1097309",
"created_at": "2022-09-04T14:48:11.098255Z",
"structure_string": "Ba2 In1 Hg1\n1.0\n-6.872352 7.082815 9.664029\n6.872352 -7.082815 9.664029\n6.872352 7.082815 -9.664029\nBa In Hg\n2 1 1\ndirect\n0.762761 0.000000 0.762761 Ba\n0.237239 0.000000 0.237239 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
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"elements": [
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"Hg"
],
"chemical_system": "Ba-Hg-In",
"density": 0.5207355583039572,
"density_atomic": 0.002125839543591916,
"volume": 1881.6095561198456,
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"formula_full": "Ba2 In1 Hg1",
"formula_reduced": "Ba2InHg",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:25.337000Z",
"spacegroup": 71
},
{
"id": "mp-1097482",
"created_at": "2022-09-04T14:45:15.874784Z",
"structure_string": "Sr1 La1 Cd2\n1.0\n-6.168746 6.727136 8.667369\n6.168746 -6.727136 8.667369\n6.168746 6.727136 -8.667369\nSr La Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.000000 0.500000 La\n0.261958 0.000000 0.261958 Cd\n0.738042 0.000000 0.738042 Cd\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-La-Sr",
"density": 0.520937637335377,
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"volume": 1438.7136824662948,
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"formula_full": "Sr1 La1 Cd2",
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"updated_at": "2021-11-28T01:36:56.449000Z",
"spacegroup": 71
},
{
"id": "mp-1096391",
"created_at": "2022-09-04T14:44:03.808322Z",
"structure_string": "Ba2 Tl1 Pd1\n1.0\n-6.472407 7.121714 10.121526\n6.472407 -7.121714 10.121526\n6.472407 7.121714 -10.121526\nBa Tl Pd\n2 1 1\ndirect\n0.000000 0.218368 0.218368 Ba\n0.000000 0.781632 0.781632 Ba\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 4,
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"volume": 1866.1920465967612,
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"formula_full": "Ba2 Tl1 Pd1",
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"updated_at": "2021-11-28T01:36:24.387000Z",
"spacegroup": 71
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{
"id": "mp-1093964",
"created_at": "2022-09-04T14:48:01.363749Z",
"structure_string": "Ti2 Zn1 Mo1\n1.0\n-5.008543 5.375314 7.597568\n5.008543 -5.375314 7.597568\n5.008543 5.375314 -7.597568\nTi Zn Mo\n2 1 1\ndirect\n0.000000 0.285226 0.285226 Ti\n0.000000 0.714774 0.714774 Ti\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
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"elements": [
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"chemical_system": "Mo-Ti-Zn",
"density": 0.5217622137865755,
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"volume": 818.1818337526215,
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"formula_full": "Ti2 Zn1 Mo1",
"formula_reduced": "Ti2ZnMo",
"formula_anonymous": "ABC2",
"energy": -15.67343542,
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"updated_at": "2021-11-28T01:38:27.909000Z",
"spacegroup": 71
}
]
}