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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=65",
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"results": [
{
"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": [
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"Cd",
"Ge"
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"chemical_system": "Ca-Cd-Ge",
"density": 0.3018565791231011,
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"volume": 1458.9265720665003,
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"formula_full": "Ca2 Cd1 Ge1",
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"spacegroup": 71
},
{
"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,
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"elements": [
"Li",
"Zn",
"Ga"
],
"chemical_system": "Ga-Li-Zn",
"density": 0.4359735617271522,
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"volume": 806.6900450484591,
"volume_molar": 121.45002502431406,
"formula_full": "Li1 Zn1 Ga2",
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"updated_at": "2021-11-28T01:37:42.328000Z",
"spacegroup": 71
},
{
"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,
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"elements": [
"Rb",
"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,
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"is_stable": null,
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"energy_uncorrected": -4.74412645,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.147000Z",
"spacegroup": 225
},
{
"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,
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"total_magnetization": 0.0001187,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.812000Z",
"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": [
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"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",
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"band_gap": 0.0,
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"total_magnetization": 0.0086629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.148000Z",
"spacegroup": 139
},
{
"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,
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"formation_energy": null,
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"energy_uncorrected": -7.12648159,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:56.830000Z",
"spacegroup": 12
},
{
"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-980188",
"created_at": "2022-09-04T14:46:19.864295Z",
"structure_string": "Rb1 Yb3\n1.0\n-2.912893 2.912893 5.819939\n2.912893 -2.912893 5.819939\n2.912893 2.912893 -5.819939\nRb Yb\n1 3\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Yb\n0.250000 0.750000 0.500000 Yb\n0.500000 0.500000 0.000000 Yb\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Rb",
"Yb"
],
"chemical_system": "Rb-Yb",
"density": 5.082542149488592,
"density_atomic": 0.02025034858687566,
"volume": 197.52746392683915,
"volume_molar": 29.738454793331194,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.76087299,
"energy_per_atom": -1.1902182475,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:27.844000Z",
"spacegroup": 139
},
{
"id": "mp-1096616",
"created_at": "2022-09-04T14:42:24.587774Z",
"structure_string": "Mg1 Zr1 Cd2\n1.0\n-5.957151 6.010980 8.501329\n5.957151 -6.010980 8.501329\n5.957151 6.010980 -8.501329\nMg Zr Cd\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Zr\n0.000000 0.250338 0.250338 Cd\n0.000000 0.749662 0.749662 Cd\n",
"nsites": 4,
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"elements": [
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"Zr",
"Cd"
],
"chemical_system": "Cd-Mg-Zr",
"density": 0.4641361782537224,
"density_atomic": 0.0032849539425102814,
"volume": 1217.6730846166136,
"volume_molar": 183.32496788061596,
"formula_full": "Mg1 Zr1 Cd2",
"formula_reduced": "MgZrCd2",
"formula_anonymous": "ABC2",
"energy": -4.7628405,
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"updated_at": "2021-11-28T01:35:47.892000Z",
"spacegroup": 71
},
{
"id": "mp-1038797",
"created_at": "2022-09-04T14:46:18.547820Z",
"structure_string": "Mg2 Cd4\n1.0\n1.649635 5.637006 0.000000\n-1.649635 5.637006 0.000000\n0.000000 1.524431 7.207220\nMg Cd\n2 4\ndirect\n0.614778 0.614778 0.272373 Mg\n0.941891 0.941891 0.614408 Mg\n0.000427 0.000427 0.002119 Cd\n0.335491 0.335491 0.338152 Cd\n0.663510 0.663510 0.660601 Cd\n0.277236 0.277236 0.945680 Cd\n",
"nsites": 6,
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"density": 6.172566211285006,
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"volume": 134.0399120510162,
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"formula_full": "Mg2 Cd4",
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"energy": -7.1446477,
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"updated_at": "2021-11-28T01:37:30.888000Z",
"spacegroup": 8
},
{
"id": "mp-1008283",
"created_at": "2022-09-04T14:48:16.076003Z",
"structure_string": "Ba2\n1.0\n3.698491 -6.405974 0.000000\n3.698491 6.405974 0.000000\n0.000000 0.000000 4.071332\nBa\n2\ndirect\n0.666667 0.333333 0.500000 Ba\n0.333333 0.666667 0.500000 Ba\n",
"nsites": 2,
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"density_atomic": 0.01036701539390541,
"volume": 192.91955534046622,
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"formula_full": "Ba2",
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"formula_anonymous": "A",
"energy": -2.38228657,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:38:52.180000Z",
"spacegroup": 191
},
{
"id": "mp-979936",
"created_at": "2022-09-04T14:46:22.270750Z",
"structure_string": "Rb1 Yb3\n1.0\n5.843326 0.000000 0.000000\n0.000000 5.843326 0.000000\n0.000000 0.000000 5.843326\nRb Yb\n1 3\ndirect\n0.500000 0.500000 0.500000 Rb\n0.500000 0.000000 0.000000 Yb\n0.000000 0.500000 0.000000 Yb\n0.000000 0.000000 0.500000 Yb\n",
"nsites": 4,
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"elements": [
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"Yb"
],
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"density": 5.03185511501828,
"density_atomic": 0.02004839647577274,
"volume": 199.51720352466867,
"volume_molar": 30.03801709167807,
"formula_full": "Rb1 Yb3",
"formula_reduced": "RbYb3",
"formula_anonymous": "AB3",
"energy": -4.764799,
"energy_per_atom": -1.19119975,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:33.470000Z",
"spacegroup": 221
}
]
}