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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=12132",
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"results": [
{
"id": "mp-1212170",
"created_at": "2022-09-04T14:41:45.330961Z",
"structure_string": "Sr8 Cd22\n1.0\n0.000000 0.000000 7.936055\n-7.770125 7.770125 3.968028\n-7.770125 -7.770125 3.968028\nSr Cd\n8 22\ndirect\n0.693384 0.136351 0.863649 Sr\n0.693384 0.863649 0.136351 Sr\n0.807032 0.636351 0.636351 Sr\n0.556616 0.636351 0.363649 Sr\n0.556616 0.363649 0.636351 Sr\n0.079735 0.363649 0.363649 Sr\n0.442968 0.863649 0.863649 Sr\n0.170265 0.136351 0.136351 Sr\n0.000000 0.000000 0.000000 Cd\n0.250000 0.500000 0.500000 Cd\n0.125000 0.750000 0.250000 Cd\n0.125000 0.250000 0.750000 Cd\n0.625000 0.250000 0.250000 Cd\n0.125000 0.750000 0.750000 Cd\n0.373643 0.876980 0.590627 Cd\n0.841251 0.123020 0.409373 Cd\n0.214271 0.909373 0.376980 Cd\n0.876357 0.909373 0.623020 Cd\n0.876357 0.623020 0.909373 Cd\n0.500623 0.090627 0.623020 Cd\n0.408749 0.090627 0.376980 Cd\n0.408749 0.376980 0.090627 Cd\n0.035729 0.123020 0.590627 Cd\n0.035729 0.590627 0.123020 Cd\n0.749377 0.876980 0.409373 Cd\n0.749377 0.409373 0.876980 Cd\n0.373643 0.590627 0.876980 Cd\n0.841251 0.409373 0.123020 Cd\n0.500623 0.623020 0.090627 Cd\n0.214271 0.376980 0.909373 Cd\n",
"nsites": 30,
"nelements": 2,
"elements": [
"Sr",
"Cd"
],
"chemical_system": "Cd-Sr",
"density": 5.500037086849256,
"density_atomic": 0.031306216127468874,
"volume": 958.2761416406767,
"volume_molar": 19.23624603969951,
"formula_full": "Sr8 Cd22",
"formula_reduced": "Sr4Cd11",
"formula_anonymous": "A4B11",
"energy": -35.67423842,
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"updated_at": "2021-11-28T01:35:20.693000Z",
"spacegroup": 141
},
{
"id": "mp-1094812",
"created_at": "2022-09-04T14:45:15.401171Z",
"structure_string": "Mg2 Cd4\n1.0\n1.592646 5.982769 0.000000\n-1.592646 5.982769 0.000000\n0.000000 2.067692 7.004689\nMg Cd\n2 4\ndirect\n0.638487 0.638487 0.469825 Mg\n0.361513 0.361513 0.530175 Mg\n0.303840 0.303840 0.145975 Cd\n0.027497 0.027497 0.198767 Cd\n0.972503 0.972503 0.801233 Cd\n0.696160 0.696160 0.854025 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.1981138308941786,
"density_atomic": 0.044948055348131614,
"volume": 133.4874212806051,
"volume_molar": 13.398000677353723,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.12648159,
"energy_per_atom": -1.1877469316666667,
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"energy_uncorrected": -7.12648159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.830000Z",
"spacegroup": 12
},
{
"id": "mp-1184918",
"created_at": "2022-09-04T14:43:05.383172Z",
"structure_string": "K3 Li1\n1.0\n-3.050687 3.050687 6.237136\n3.050687 -3.050687 6.237136\n3.050687 3.050687 -6.237136\nK Li\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Li\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Li"
],
"chemical_system": "K-Li",
"density": 0.8884964562356193,
"density_atomic": 0.017227389912452516,
"volume": 232.18839419828015,
"volume_molar": 34.95677981751026,
"formula_full": "K3 Li1",
"formula_reduced": "K3Li",
"formula_anonymous": "AB3",
"energy": -4.75010415,
"energy_per_atom": -1.1875260375,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -4.75010415,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:56.148000Z",
"spacegroup": 139
},
{
"id": "mp-1039204",
"created_at": "2022-09-04T14:43:10.414305Z",
"structure_string": "Mg2 Cd4\n1.0\n1.599235 5.905968 0.000000\n-1.599235 5.905968 0.000000\n0.000000 2.291614 7.073189\nMg Cd\n2 4\ndirect\n0.807249 0.807249 0.639353 Mg\n0.192751 0.192751 0.360647 Mg\n0.139640 0.139640 0.974775 Cd\n0.532421 0.532421 0.689448 Cd\n0.467579 0.467579 0.310552 Cd\n0.860360 0.860360 0.025225 Cd\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Cd"
],
"chemical_system": "Cd-Mg",
"density": 6.192289574735589,
"density_atomic": 0.044905818468442,
"volume": 133.61297499157172,
"volume_molar": 13.410602379360078,
"formula_full": "Mg2 Cd4",
"formula_reduced": "MgCd2",
"formula_anonymous": "AB2",
"energy": -7.12367891,
"energy_per_atom": -1.1872798183333333,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -7.12367891,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.812000Z",
"spacegroup": 12
},
{
"id": "mp-979935",
"created_at": "2022-09-04T14:45:54.565134Z",
"structure_string": "Rb1 Yb3\n1.0\n0.000000 4.648581 4.648581\n4.648581 0.000000 4.648581\n4.648581 4.648581 0.000000\nRb Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.250000 0.250000 0.250000 Yb\n0.750000 0.750000 0.750000 Yb\n0.500000 0.500000 0.500000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Yb"
],
"chemical_system": "Rb-Yb",
"density": 4.997091165818855,
"density_atomic": 0.019909886637813866,
"volume": 200.90521220763745,
"volume_molar": 30.246986683301575,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.74412645,
"energy_per_atom": -1.1860316125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -4.74412645,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0367046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.147000Z",
"spacegroup": 225
},
{
"id": "mp-1097166",
"created_at": "2022-09-04T14:46:35.317995Z",
"structure_string": "Li1 Zn1 Ga2\n1.0\n-5.198101 5.240095 7.403939\n5.198101 -5.240095 7.403939\n5.198101 5.240095 -7.403939\nLi Zn Ga\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 Zn\n0.000000 0.256056 0.256056 Ga\n0.000000 0.743944 0.743944 Ga\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Zn",
"Ga"
],
"chemical_system": "Ga-Li-Zn",
"density": 0.4359735617271522,
"density_atomic": 0.004958533980371251,
"volume": 806.6900450484591,
"volume_molar": 121.45002502431406,
"formula_full": "Li1 Zn1 Ga2",
"formula_reduced": "LiZnGa2",
"formula_anonymous": "ABC2",
"energy": -4.74400916,
"energy_per_atom": -1.18600229,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -4.74400916,
"band_gap": 0.1815000000000002,
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"total_magnetization": 0.9999807,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.328000Z",
"spacegroup": 71
},
{
"id": "mp-1093877",
"created_at": "2022-09-04T14:47:20.873158Z",
"structure_string": "Ca2 Cd1 Ge1\n1.0\n-6.159684 6.473131 9.147462\n6.159684 -6.473131 9.147462\n6.159684 6.473131 -9.147462\nCa Cd Ge\n2 1 1\ndirect\n0.000000 0.227265 0.227265 Ca\n0.000000 0.772735 0.772735 Ca\n0.000000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
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"elements": [
"Ca",
"Cd",
"Ge"
],
"chemical_system": "Ca-Cd-Ge",
"density": 0.3018565791231011,
"density_atomic": 0.0027417418234655837,
"volume": 1458.9265720665003,
"volume_molar": 219.64652938721875,
"formula_full": "Ca2 Cd1 Ge1",
"formula_reduced": "Ca2CdGe",
"formula_anonymous": "ABC2",
"energy": -4.74181942,
"energy_per_atom": -1.185454855,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -4.74181942,
"band_gap": 0.0046999999999997,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:03.979000Z",
"spacegroup": 71
},
{
"id": "mp-975110",
"created_at": "2022-09-04T14:45:35.057402Z",
"structure_string": "Rb2 Mg6\n1.0\n4.245118 -7.352760 0.000000\n4.245118 7.352760 0.000000\n0.000000 0.000000 5.107639\nRb Mg\n2 6\ndirect\n0.666667 0.333333 0.250000 Rb\n0.333333 0.666667 0.750000 Rb\n0.123524 0.247049 0.250000 Mg\n0.752951 0.876476 0.250000 Mg\n0.123524 0.876476 0.250000 Mg\n0.876476 0.123524 0.750000 Mg\n0.247049 0.123524 0.750000 Mg\n0.876476 0.752951 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Rb",
"Mg"
],
"chemical_system": "Mg-Rb",
"density": 1.6496688061941192,
"density_atomic": 0.025089940982771643,
"volume": 318.8528823361247,
"volume_molar": 24.002211739498257,
"formula_full": "Rb2 Mg6",
"formula_reduced": "RbMg3",
"formula_anonymous": "AB3",
"energy": -9.48259928,
"energy_per_atom": -1.18532491,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.48259928,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.145000Z",
"spacegroup": 194
},
{
"id": "mp-975109",
"created_at": "2022-09-04T14:40:02.790227Z",
"structure_string": "Rb2 Na6\n1.0\n4.168099 -7.219360 0.000000\n4.168099 7.219360 0.000000\n0.000000 0.000000 6.557049\nRb Na\n2 6\ndirect\n0.333333 0.666667 0.750000 Rb\n0.666667 0.333333 0.250000 Rb\n0.153392 0.306785 0.250000 Na\n0.693215 0.846608 0.250000 Na\n0.153392 0.846608 0.250000 Na\n0.846608 0.693215 0.750000 Na\n0.306785 0.153392 0.750000 Na\n0.846608 0.153392 0.750000 Na\n",
"nsites": 8,
"nelements": 2,
"elements": [
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],
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"density": 1.299737363481451,
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"volume": 394.61641729544226,
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"formula_full": "Rb2 Na6",
"formula_reduced": "RbNa3",
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"energy": -9.48090277,
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"updated_at": "2021-11-28T01:34:45.940000Z",
"spacegroup": 194
},
{
"id": "mp-1096508",
"created_at": "2022-09-04T14:41:56.334195Z",
"structure_string": "K2 Hg1 Au1\n1.0\n-6.232290 6.723906 8.798057\n6.232290 -6.723906 8.798057\n6.232290 6.723906 -8.798057\nK Hg Au\n2 1 1\ndirect\n0.228499 0.000000 0.228499 K\n0.771501 0.000000 0.771501 K\n0.500000 0.000000 0.500000 Hg\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"elements": [
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],
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"density": 0.5356914781144544,
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"volume": 1474.7420025495746,
"volume_molar": 222.02759810094543,
"formula_full": "K2 Hg1 Au1",
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"formula_anonymous": "ABC2",
"energy": -4.73742917,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:29.437000Z",
"spacegroup": 71
},
{
"id": "mp-1184910",
"created_at": "2022-09-04T14:39:24.686741Z",
"structure_string": "K3 Ba1\n1.0\n-3.138507 3.138507 7.190885\n3.138507 -3.138507 7.190885\n3.138507 3.138507 -7.190885\nK Ba\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ba\n",
"nsites": 4,
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"density": 1.4923006016106404,
"density_atomic": 0.014117943950991835,
"volume": 283.3273749977585,
"volume_molar": 42.65593333494516,
"formula_full": "K3 Ba1",
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"energy": -4.7370561,
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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": "2021-11-28T01:34:25.068000Z",
"spacegroup": 139
},
{
"id": "mp-1093975",
"created_at": "2022-09-04T14:39:19.109166Z",
"structure_string": "Tl1 Cd1 In2\n1.0\n-5.986041 6.264683 8.858761\n5.986041 -6.264683 8.858761\n5.986041 6.264683 -8.858761\nTl Cd In\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Cd\n0.000000 0.252300 0.252300 In\n0.000000 0.747700 0.747700 In\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Cd-In-Tl",
"density": 0.6828292354115165,
"density_atomic": 0.003010150624599244,
"volume": 1328.837157619825,
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"formula_full": "Tl1 Cd1 In2",
"formula_reduced": "TlCdIn2",
"formula_anonymous": "ABC2",
"energy": -4.73538377,
"energy_per_atom": -1.1838459425,
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"updated_at": "2021-11-28T01:34:41.766000Z",
"spacegroup": 71
}
]
}