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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=107",
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"results": [
{
"id": "mp-1102731",
"created_at": "2022-09-04T14:42:23.081831Z",
"structure_string": "Yb4 Cd8\n1.0\n2.972021 -5.147691 0.000000\n2.972021 5.147691 0.000000\n0.000000 0.000000 9.985095\nYb Cd\n4 8\ndirect\n0.333333 0.666667 0.441334 Yb\n0.666667 0.333333 0.558666 Yb\n0.666667 0.333333 0.941334 Yb\n0.333333 0.666667 0.058666 Yb\n0.000000 0.000000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.829672 0.170328 0.250000 Cd\n0.829672 0.659344 0.250000 Cd\n0.340656 0.170328 0.250000 Cd\n0.170328 0.829672 0.750000 Cd\n0.170328 0.340656 0.750000 Cd\n0.659344 0.829672 0.750000 Cd\n",
"nsites": 12,
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"spacegroup": 194
},
{
"id": "mp-1094474",
"created_at": "2022-09-04T14:46:15.927161Z",
"structure_string": "Mg3 Zn3\n1.0\n1.524973 -7.587880 0.000000\n1.524973 7.587880 0.000000\n0.000000 0.000000 4.800304\nMg Zn\n3 3\ndirect\n0.998286 0.001714 0.000000 Mg\n0.673049 0.326951 0.000000 Mg\n0.439279 0.560721 0.500000 Mg\n0.333241 0.666759 0.000000 Zn\n0.113130 0.886870 0.500000 Zn\n0.776348 0.223652 0.500000 Zn\n",
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"total_magnetization": 8.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:29.233000Z",
"spacegroup": 38
},
{
"id": "mp-1222218",
"created_at": "2022-09-04T14:42:21.564779Z",
"structure_string": "Mg4 Al1 Zn11\n1.0\n-2.671408 -4.505752 0.000000\n-2.671408 4.505752 0.000000\n0.000000 0.000000 -11.815635\nMg Al Zn\n4 1 11\ndirect\n0.334464 0.665536 0.164590 Mg\n0.334464 0.665536 0.835410 Mg\n0.000917 0.999083 0.117002 Mg\n0.000917 0.999083 0.882998 Mg\n0.662539 0.337461 0.500000 Al\n0.664060 0.335940 0.112911 Zn\n0.664060 0.335940 0.887089 Zn\n0.333281 0.666719 0.396859 Zn\n0.333281 0.666719 0.603141 Zn\n0.002679 0.997321 0.500000 Zn\n0.833517 0.166483 0.311238 Zn\n0.333635 0.165833 0.310496 Zn\n0.834167 0.666365 0.310496 Zn\n0.833517 0.166483 0.688762 Zn\n0.333635 0.165833 0.689504 Zn\n0.834167 0.666365 0.689504 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Al",
"Zn"
],
"chemical_system": "Al-Mg-Zn",
"density": 4.9254153008536985,
"density_atomic": 0.05625037395883272,
"volume": 284.44255342568437,
"volume_molar": 10.705956842895572,
"formula_full": "Mg4 Al1 Zn11",
"formula_reduced": "Mg4AlZn11",
"formula_anonymous": "AB4C11",
"energy": -23.20846971,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 0.0001369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.754000Z",
"spacegroup": 38
},
{
"id": "mp-1094323",
"created_at": "2022-09-04T14:39:58.934789Z",
"structure_string": "Sr2 Mg4\n1.0\n2.026057 -3.509234 0.000000\n2.026057 3.509234 0.000000\n0.000000 0.000000 14.957651\nSr Mg\n2 4\ndirect\n0.666667 0.333333 0.182081 Sr\n0.666667 0.333333 0.817919 Sr\n0.666667 0.333333 0.500000 Mg\n0.000000 0.000000 0.367063 Mg\n0.000000 0.000000 0.000000 Mg\n0.000000 0.000000 0.632937 Mg\n",
"nsites": 6,
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"elements": [
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],
"chemical_system": "Mg-Sr",
"density": 2.1271321437630326,
"density_atomic": 0.028209401429835627,
"volume": 212.69504831301063,
"volume_molar": 21.34799199826584,
"formula_full": "Sr2 Mg4",
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"energy": -8.70435462,
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"updated_at": "2021-11-28T01:35:04.241000Z",
"spacegroup": 187
},
{
"id": "mp-1094488",
"created_at": "2022-09-04T14:42:17.163583Z",
"structure_string": "Mg3 Zn3\n1.0\n1.522950 -7.632145 0.000000\n1.522950 7.632145 0.000000\n0.000000 0.000000 4.776632\nMg Zn\n3 3\ndirect\n0.333622 0.666378 0.000000 Mg\n0.455492 0.544508 0.500000 Mg\n0.766648 0.233352 0.500000 Mg\n0.006145 0.993855 0.000000 Zn\n0.661186 0.338814 0.000000 Zn\n0.110241 0.889759 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 4.0248206761795675,
"density_atomic": 0.05403401175755818,
"volume": 111.04117212175589,
"volume_molar": 11.14509281121003,
"formula_full": "Mg3 Zn3",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -8.70803783,
"energy_per_atom": -1.4513396383333335,
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"band_gap": 0.0,
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"total_magnetization": 1.92e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:47.702000Z",
"spacegroup": 38
},
{
"id": "mp-1097077",
"created_at": "2022-09-04T14:47:31.618638Z",
"structure_string": "In2 Hg1 Pb1\n1.0\n-5.808414 6.305594 8.935032\n5.808414 -6.305594 8.935032\n5.808414 6.305594 -8.935032\nIn Hg Pb\n2 1 1\ndirect\n0.000000 0.256258 0.256258 In\n0.000000 0.743742 0.743742 In\n0.000000 0.000000 0.000000 Hg\n0.000000 0.500000 0.500000 Pb\n",
"nsites": 4,
"nelements": 3,
"elements": [
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"Hg",
"Pb"
],
"chemical_system": "Hg-In-Pb",
"density": 0.8086101715758113,
"density_atomic": 0.0030557675870642896,
"volume": 1309.0000747873778,
"volume_molar": 197.0745676305029,
"formula_full": "In2 Hg1 Pb1",
"formula_reduced": "In2HgPb",
"formula_anonymous": "ABC2",
"energy": -5.8070814,
"energy_per_atom": -1.45177035,
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"band_gap": 0.5059,
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"total_magnetization": 0.3725427,
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"updated_at": "2021-11-28T01:38:10.581000Z",
"spacegroup": 71
},
{
"id": "mp-1028196",
"created_at": "2022-09-04T14:40:09.361747Z",
"structure_string": "Rb1 Ca1 Mg14\n1.0\n6.671555 -0.001272 0.000000\n-3.336879 5.779644 0.000000\n0.000000 0.000000 10.836388\nRb Ca Mg\n1 1 14\ndirect\n0.166741 0.833370 0.125000 Rb\n0.175047 0.337523 0.125000 Ca\n0.163003 0.331501 0.625000 Mg\n0.165071 0.832535 0.625000 Mg\n0.664998 0.331130 0.125000 Mg\n0.669144 0.333674 0.625000 Mg\n0.664998 0.833868 0.125000 Mg\n0.669144 0.835469 0.625000 Mg\n0.342217 0.177679 0.394755 Mg\n0.342217 0.177679 0.855245 Mg\n0.342217 0.664538 0.394755 Mg\n0.342217 0.664538 0.855245 Mg\n0.828122 0.164061 0.377991 Mg\n0.828122 0.164061 0.872009 Mg\n0.818371 0.659186 0.387820 Mg\n0.818371 0.659186 0.862180 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Rb",
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg-Rb",
"density": 1.8513921394732684,
"density_atomic": 0.038296147343112194,
"volume": 417.79659600348026,
"volume_molar": 15.725186938636323,
"formula_full": "Rb1 Ca1 Mg14",
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"formula_anonymous": "ABC14",
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"total_magnetization": 1.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.158000Z",
"spacegroup": 38
},
{
"id": "mp-19858",
"created_at": "2022-09-04T14:46:35.674047Z",
"structure_string": "Sr1\n1.0\n2.035118 -3.524927 0.000000\n2.035118 3.524927 0.000000\n0.000000 0.000000 3.773756\nSr\n1\ndirect\n0.000000 0.000000 0.000000 Sr\n",
"nsites": 1,
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"density": 2.687254577070871,
"density_atomic": 0.01846955641025743,
"volume": 54.14315199495698,
"volume_molar": 32.60576825037057,
"formula_full": "Sr1",
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"formula_anonymous": "A",
"energy": -1.45310347,
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"updated_at": "2021-11-28T01:37:39.240000Z",
"spacegroup": 191
},
{
"id": "mp-976221",
"created_at": "2022-09-04T14:42:25.324223Z",
"structure_string": "K6 Sm2\n1.0\n4.324414 -7.490106 0.000000\n4.324414 7.490106 0.000000\n0.000000 0.000000 7.164846\nK Sm\n6 2\ndirect\n0.171407 0.342814 0.250000 K\n0.657186 0.828593 0.250000 K\n0.171407 0.828593 0.250000 K\n0.828593 0.657186 0.750000 K\n0.342814 0.171407 0.750000 K\n0.828593 0.171407 0.750000 K\n0.333333 0.666667 0.750000 Sm\n0.666667 0.333333 0.250000 Sm\n",
"nsites": 8,
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"elements": [
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],
"chemical_system": "K-Sm",
"density": 1.915147408801693,
"density_atomic": 0.017236056243974934,
"volume": 464.14329860384936,
"volume_molar": 34.93920346253866,
"formula_full": "K6 Sm2",
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"updated_at": "2021-11-28T01:35:48.666000Z",
"spacegroup": 194
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{
"id": "mp-1094927",
"created_at": "2022-09-04T14:42:18.098382Z",
"structure_string": "Mg4 Cd2\n1.0\n1.601796 -8.219487 0.000000\n1.601796 8.219487 0.000000\n0.000000 0.000000 5.048288\nMg Cd\n4 2\ndirect\n0.000749 0.999251 0.000000 Mg\n0.332952 0.667048 0.000000 Mg\n0.666322 0.333678 0.000000 Mg\n0.444835 0.555165 0.500000 Mg\n0.109695 0.890305 0.500000 Cd\n0.778781 0.221219 0.500000 Cd\n",
"nsites": 6,
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"density": 4.022866088132288,
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"volume": 132.93092794303624,
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"formula_full": "Mg4 Cd2",
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.533000Z",
"spacegroup": 38
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{
"id": "mp-1026855",
"created_at": "2022-09-04T14:42:12.277855Z",
"structure_string": "K1 Ba1 Mg14\n1.0\n6.781109 0.098532 0.000000\n-3.305223 5.724814 0.000000\n0.000000 0.000000 10.915541\nK Ba Mg\n1 1 14\ndirect\n0.169761 0.334880 0.125000 K\n0.167536 0.833768 0.125000 Ba\n0.161972 0.330986 0.625000 Mg\n0.161745 0.830872 0.625000 Mg\n0.664970 0.335396 0.125000 Mg\n0.669093 0.334358 0.625000 Mg\n0.664970 0.829573 0.125000 Mg\n0.669093 0.834734 0.625000 Mg\n0.344944 0.173849 0.399970 Mg\n0.344944 0.173849 0.850030 Mg\n0.344944 0.671095 0.399970 Mg\n0.344944 0.671095 0.850030 Mg\n0.824012 0.162007 0.382708 Mg\n0.824012 0.162007 0.867292 Mg\n0.821530 0.660766 0.386184 Mg\n0.821530 0.660766 0.863816 Mg\n",
"nsites": 16,
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"elements": [
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],
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"density": 2.007927785930677,
"density_atomic": 0.03744419201635758,
"volume": 427.30258388297875,
"volume_molar": 16.082976920343782,
"formula_full": "K1 Ba1 Mg14",
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"formula_anonymous": "ABC14",
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"updated_at": "2021-11-28T01:35:41.982000Z",
"spacegroup": 38
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{
"id": "mp-982665",
"created_at": "2022-09-04T14:46:41.693655Z",
"structure_string": "K3 In1\n1.0\n5.832444 0.000000 0.000000\n0.000000 5.832444 0.000000\n0.000000 0.000000 5.832444\nK In\n3 1\ndirect\n0.000000 0.500000 0.500000 K\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 In\n",
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"volume": 198.40459809954694,
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"formula_full": "K3 In1",
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"updated_at": "2021-11-28T01:37:44.090000Z",
"spacegroup": 221
}
]
}