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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=118",
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"results": [
{
"id": "mp-1022607",
"created_at": "2022-09-04T14:46:03.249735Z",
"structure_string": "Mg12 Zn2 Cd2\n1.0\n5.038068 0.000000 0.000000\n0.000000 6.238523 0.000000\n0.000000 0.000000 10.864035\nMg Zn Cd\n12 2 2\ndirect\n0.000000 0.250142 0.084490 Mg\n0.000000 0.749858 0.084490 Mg\n0.000000 0.000000 0.332394 Mg\n0.500000 0.745401 0.413307 Mg\n0.500000 0.254599 0.413307 Mg\n0.500000 0.000000 0.167299 Mg\n0.000000 0.750142 0.584490 Mg\n0.000000 0.249858 0.584490 Mg\n0.000000 0.500000 0.832394 Mg\n0.500000 0.245401 0.913307 Mg\n0.500000 0.754599 0.913307 Mg\n0.500000 0.500000 0.667299 Mg\n0.000000 0.500000 0.338076 Zn\n0.000000 0.000000 0.838076 Zn\n0.500000 0.500000 0.166637 Cd\n0.500000 0.000000 0.666637 Cd\n",
"nsites": 16,
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"elements": [
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],
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"formula_full": "Mg12 Zn2 Cd2",
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"updated_at": "2021-11-28T01:37:19.909000Z",
"spacegroup": 38
},
{
"id": "mp-1026401",
"created_at": "2022-09-04T14:45:26.627440Z",
"structure_string": "K1 Li1 Mg14\n1.0\n6.547003 0.081865 0.000000\n-3.202605 5.547073 0.000000\n0.000000 0.000000 10.689095\nK Li Mg\n1 1 14\ndirect\n0.165603 0.332801 0.125000 K\n0.167210 0.833605 0.125000 Li\n0.165982 0.332990 0.625000 Mg\n0.164477 0.832238 0.625000 Mg\n0.665002 0.330180 0.125000 Mg\n0.666982 0.334758 0.625000 Mg\n0.665002 0.834821 0.125000 Mg\n0.666982 0.832222 0.625000 Mg\n0.339677 0.163498 0.389209 Mg\n0.339677 0.163498 0.860791 Mg\n0.339677 0.676181 0.389209 Mg\n0.339677 0.676181 0.860791 Mg\n0.823952 0.161976 0.388213 Mg\n0.823952 0.161976 0.861787 Mg\n0.833074 0.666538 0.371666 Mg\n0.833074 0.666538 0.878334 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Mg"
],
"chemical_system": "K-Li-Mg",
"density": 1.640638364723127,
"density_atomic": 0.04092122109214875,
"volume": 390.99517494774375,
"volume_molar": 14.716424875100866,
"formula_full": "K1 Li1 Mg14",
"formula_reduced": "KLiMg14",
"formula_anonymous": "ABC14",
"energy": -23.97601343,
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"energy_uncorrected": -23.97601343,
"band_gap": 0.0,
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"total_magnetization": 3.1e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.400000Z",
"spacegroup": 38
},
{
"id": "mp-1093569",
"created_at": "2022-09-04T14:46:34.559847Z",
"structure_string": "Li2 Zn1 Pd1\n1.0\n-4.905398 5.108005 6.847493\n4.905398 -5.108005 6.847493\n4.905398 5.108005 -6.847493\nLi Zn Pd\n2 1 1\ndirect\n0.726792 0.000000 0.726792 Li\n0.273208 0.000000 0.273208 Li\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.500000 Pd\n",
"nsites": 4,
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"elements": [
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"Zn",
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],
"chemical_system": "Li-Pd-Zn",
"density": 0.4493343026489218,
"density_atomic": 0.005828312635833888,
"volume": 686.3049822356859,
"volume_molar": 103.325630182815,
"formula_full": "Li2 Zn1 Pd1",
"formula_reduced": "Li2ZnPd",
"formula_anonymous": "ABC2",
"energy": -5.99614272,
"energy_per_atom": -1.49903568,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -5.99614272,
"band_gap": 0.0013,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 3.54e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.860000Z",
"spacegroup": 71
},
{
"id": "mp-1022589",
"created_at": "2022-09-04T14:41:29.286227Z",
"structure_string": "Mg12 Zn2 Cd2\n1.0\n5.006838 0.000000 0.000000\n0.000000 6.369141 0.000000\n0.000000 0.000000 10.685660\nMg Zn Cd\n12 2 2\ndirect\n0.500000 0.249768 0.584113 Mg\n0.500000 0.750232 0.584113 Mg\n0.000000 0.253842 0.414735 Mg\n0.000000 0.746158 0.414735 Mg\n0.000000 0.000000 0.669601 Mg\n0.000000 0.000000 0.167009 Mg\n0.500000 0.749768 0.084113 Mg\n0.500000 0.250232 0.084113 Mg\n0.000000 0.753842 0.914735 Mg\n0.000000 0.246158 0.914735 Mg\n0.000000 0.500000 0.169601 Mg\n0.000000 0.500000 0.667009 Mg\n0.500000 0.000000 0.832577 Zn\n0.500000 0.500000 0.332577 Zn\n0.500000 0.000000 0.333120 Cd\n0.500000 0.500000 0.833120 Cd\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Zn",
"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 3.1543432436793934,
"density_atomic": 0.046954176487827876,
"volume": 340.7577599438411,
"volume_molar": 12.825569971525631,
"formula_full": "Mg12 Zn2 Cd2",
"formula_reduced": "Mg6ZnCd",
"formula_anonymous": "ABC6",
"energy": -23.98567532,
"energy_per_atom": -1.4991047075,
"energy_above_hull": null,
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"energy_uncorrected": -23.98567532,
"band_gap": 0.0,
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"total_magnetization": 0.0064951,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.920000Z",
"spacegroup": 38
},
{
"id": "mp-1097470",
"created_at": "2022-09-04T14:42:05.424395Z",
"structure_string": "Li1 La1 Tl2\n1.0\n-5.946364 6.769157 9.519408\n5.946364 -6.769157 9.519408\n5.946364 6.769157 -9.519408\nLi La Tl\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.500000 La\n0.000000 0.233983 0.233983 Tl\n0.000000 0.766017 0.766017 Tl\n",
"nsites": 4,
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"elements": [
"Li",
"La",
"Tl"
],
"chemical_system": "La-Li-Tl",
"density": 0.6008736889529516,
"density_atomic": 0.0026097804980366756,
"volume": 1532.6959501035353,
"volume_molar": 230.75276884513565,
"formula_full": "Li1 La1 Tl2",
"formula_reduced": "LiLaTl2",
"formula_anonymous": "ABC2",
"energy": -6.00063972,
"energy_per_atom": -1.50015993,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -6.00063972,
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"is_magnetic": true,
"total_magnetization": 0.9996403,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.110000Z",
"spacegroup": 71
},
{
"id": "mp-975872",
"created_at": "2022-09-04T14:45:24.327530Z",
"structure_string": "K6 Pr2\n1.0\n4.341766 -7.520159 0.000000\n4.341766 7.520159 0.000000\n0.000000 0.000000 7.176730\nK Pr\n6 2\ndirect\n0.170814 0.341629 0.250000 K\n0.658371 0.829186 0.250000 K\n0.170814 0.829186 0.250000 K\n0.829186 0.658371 0.750000 K\n0.341629 0.170814 0.750000 K\n0.829186 0.170814 0.750000 K\n0.333333 0.666667 0.750000 Pr\n0.666667 0.333333 0.250000 Pr\n",
"nsites": 8,
"nelements": 2,
"elements": [
"K",
"Pr"
],
"chemical_system": "K-Pr",
"density": 1.829740834419546,
"density_atomic": 0.01707025257961593,
"volume": 468.65153064888017,
"volume_molar": 35.27856856196263,
"formula_full": "K6 Pr2",
"formula_reduced": "K3Pr",
"formula_anonymous": "AB3",
"energy": -12.00198235,
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"energy_above_hull": null,
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"energy_uncorrected": -12.00198235,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:05.235000Z",
"spacegroup": 194
},
{
"id": "mp-1183948",
"created_at": "2022-09-04T14:48:12.075617Z",
"structure_string": "Cs1 Ba3\n1.0\n0.000000 5.221284 5.221284\n5.221284 0.000000 5.221284\n5.221284 5.221284 0.000000\nCs Ba\n1 3\ndirect\n0.000000 0.000000 0.000000 Cs\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 Ba\n",
"nsites": 4,
"nelements": 2,
"elements": [
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"Ba"
],
"chemical_system": "Ba-Cs",
"density": 3.1782873732697547,
"density_atomic": 0.014050702767473623,
"volume": 284.68326931373963,
"volume_molar": 42.86006799560822,
"formula_full": "Cs1 Ba3",
"formula_reduced": "CsBa3",
"formula_anonymous": "AB3",
"energy": -6.00099648,
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"energy_above_hull": null,
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"energy_uncorrected": -6.00099648,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:47.685000Z",
"spacegroup": 225
},
{
"id": "mp-1187138",
"created_at": "2022-09-04T14:41:04.500874Z",
"structure_string": "Sr3 Zn1\n1.0\n5.479942 0.000000 0.000000\n0.000000 5.479942 0.000000\n0.000000 0.000000 5.479942\nSr Zn\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Zn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Sr",
"Zn"
],
"chemical_system": "Sr-Zn",
"density": 3.3124633658993146,
"density_atomic": 0.02430704167458115,
"volume": 164.56136676570398,
"volume_molar": 24.775292858026383,
"formula_full": "Sr3 Zn1",
"formula_reduced": "Sr3Zn",
"formula_anonymous": "AB3",
"energy": -6.00165737,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.026000Z",
"spacegroup": 221
},
{
"id": "mp-1094465",
"created_at": "2022-09-04T14:44:22.975216Z",
"structure_string": "Mg4 Zn2\n1.0\n1.547520 -7.926486 0.000000\n1.547521 7.926486 0.000000\n0.000000 0.000000 4.855972\nMg Zn\n4 2\ndirect\n0.002770 0.997230 0.000000 Mg\n0.330715 0.669285 0.000000 Mg\n0.666476 0.333524 0.000000 Mg\n0.444653 0.555347 0.500000 Mg\n0.112841 0.887159 0.500000 Zn\n0.775877 0.224123 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 3.178579247144115,
"density_atomic": 0.05036489966513924,
"volume": 119.1305857828003,
"volume_molar": 11.957019273421304,
"formula_full": "Mg4 Zn2",
"formula_reduced": "Mg2Zn",
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"updated_at": "2021-11-28T01:36:38.644000Z",
"spacegroup": 38
},
{
"id": "mp-1095725",
"created_at": "2022-09-04T14:41:07.364724Z",
"structure_string": "In1 Hg1 Pb2\n1.0\n-5.736310 6.043410 8.564927\n5.736310 -6.043410 8.564927\n5.736310 6.043410 -8.564927\nIn Hg Pb\n1 1 2\ndirect\n0.000000 0.000000 0.000000 In\n0.000000 0.500000 0.500000 Hg\n0.000000 0.244667 0.244667 Pb\n0.000000 0.755333 0.755333 Pb\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hg-In-Pb",
"density": 1.0203740094064706,
"density_atomic": 0.003367919186753148,
"volume": 1187.6769536908666,
"volume_molar": 178.80894481336003,
"formula_full": "In1 Hg1 Pb2",
"formula_reduced": "InHgPb2",
"formula_anonymous": "ABC2",
"energy": -6.00226267,
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"updated_at": "2021-11-28T01:35:13.369000Z",
"spacegroup": 71
},
{
"id": "mp-1096628",
"created_at": "2022-09-04T14:42:58.223099Z",
"structure_string": "La2 Cd1 In1\n1.0\n-6.118341 6.359202 9.050682\n6.118341 -6.359202 9.050682\n6.118341 6.359202 -9.050682\nLa Cd In\n2 1 1\ndirect\n0.000000 0.256760 0.256760 La\n0.000000 0.743240 0.743240 La\n0.000000 0.000000 0.000000 Cd\n0.000000 0.500000 0.500000 In\n",
"nsites": 4,
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],
"chemical_system": "Cd-In-La",
"density": 0.5953840911189814,
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"volume": 1408.56728131106,
"volume_molar": 212.06476094964304,
"formula_full": "La2 Cd1 In1",
"formula_reduced": "La2CdIn",
"formula_anonymous": "ABC2",
"energy": -6.00695945,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:59.310000Z",
"spacegroup": 71
},
{
"id": "mp-1100154",
"created_at": "2022-09-04T14:43:02.959380Z",
"structure_string": "Rb1 Mg6 Ga1\n1.0\n3.483589 -5.775544 0.000000\n3.483589 5.775544 0.000000\n0.000000 0.000000 5.261182\nRb Mg Ga\n1 6 1\ndirect\n0.835052 0.164948 0.500000 Rb\n0.336868 0.175978 0.500000 Mg\n0.824022 0.663132 0.500000 Mg\n0.190441 0.357173 0.000000 Mg\n0.642827 0.809559 0.000000 Mg\n0.652409 0.347591 0.000000 Mg\n0.165262 0.834738 0.000000 Mg\n0.353123 0.646877 0.500000 Ga\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "Ga-Mg-Rb",
"density": 2.361089633850614,
"density_atomic": 0.03778825682993063,
"volume": 211.7059814641544,
"volume_molar": 15.93654025138861,
"formula_full": "Rb1 Mg6 Ga1",
"formula_reduced": "RbMg6Ga",
"formula_anonymous": "ABC6",
"energy": -12.01760388,
"energy_per_atom": -1.502200485,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:57.121000Z",
"spacegroup": 38
}
]
}