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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=1719",
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"results": [
{
"id": "mp-580931",
"created_at": "2022-09-04T14:40:12.295169Z",
"structure_string": "Mg4 Zn20\n1.0\n2.521138 9.536974 0.000000\n-2.521138 9.536974 0.000000\n0.000000 3.438240 8.157461\nMg Zn\n4 20\ndirect\n0.280905 0.280905 0.373635 Mg\n0.719095 0.719095 0.626365 Mg\n0.466487 0.466487 0.202128 Mg\n0.533513 0.533513 0.797872 Mg\n0.500000 0.500000 0.500000 Zn\n0.035336 0.035336 0.295405 Zn\n0.210797 0.210797 0.125468 Zn\n0.123145 0.123145 0.711899 Zn\n0.876855 0.876855 0.288101 Zn\n0.122989 0.616147 0.038203 Zn\n0.119103 0.624895 0.540264 Zn\n0.964664 0.964664 0.704595 Zn\n0.746764 0.746764 0.235520 Zn\n0.375105 0.880897 0.459736 Zn\n0.624895 0.119103 0.540264 Zn\n0.880897 0.375105 0.459736 Zn\n0.383853 0.877011 0.961797 Zn\n0.789203 0.789203 0.874532 Zn\n0.616147 0.122989 0.038203 Zn\n0.877011 0.383853 0.961797 Zn\n0.000000 0.000000 0.000000 Zn\n0.387987 0.387987 0.778971 Zn\n0.612013 0.612013 0.221029 Zn\n0.253236 0.253236 0.764480 Zn\n",
"nsites": 24,
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"elements": [
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"spacegroup": 12
},
{
"id": "mp-1094492",
"created_at": "2022-09-04T14:39:38.333570Z",
"structure_string": "Mg2 Zn4\n1.0\n1.520889 5.174066 0.000000\n-1.520889 5.174066 0.000000\n0.000000 1.365860 6.609867\nMg Zn\n2 4\ndirect\n0.618061 0.618061 0.266800 Mg\n0.940002 0.940002 0.617545 Mg\n0.996328 0.996328 0.001110 Zn\n0.336104 0.336104 0.329320 Zn\n0.666087 0.666087 0.672402 Zn\n0.276751 0.276751 0.946156 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
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],
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"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
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"updated_at": "2021-11-28T01:34:26.426000Z",
"spacegroup": 8
},
{
"id": "mp-1094439",
"created_at": "2022-09-04T14:46:55.389220Z",
"structure_string": "Mg2 Zn4\n1.0\n1.477058 -7.403229 0.000000\n1.477058 7.403229 0.000000\n0.000000 0.000000 4.642417\nMg Zn\n2 4\ndirect\n0.438381 0.561619 0.250000 Mg\n0.561619 0.438381 0.750000 Mg\n0.117271 0.882729 0.250000 Zn\n0.772389 0.227611 0.250000 Zn\n0.227611 0.772389 0.750000 Zn\n0.882729 0.117271 0.750000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 5.0741396092922795,
"density_atomic": 0.05909603922102347,
"volume": 101.5296469795474,
"volume_molar": 10.190430423732387,
"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.5984498,
"energy_per_atom": -1.4330749666666664,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -8.5984498,
"band_gap": 0.0,
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"total_magnetization": 4.87e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:48.470000Z",
"spacegroup": 63
},
{
"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": [
"Mg",
"Zn"
],
"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,
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"updated_at": "2021-11-28T01:35:47.702000Z",
"spacegroup": 38
},
{
"id": "mp-1094862",
"created_at": "2022-09-04T14:42:43.149707Z",
"structure_string": "Mg1 Zn1\n1.0\n3.055511 0.000000 0.000000\n0.000000 3.055511 0.000000\n0.000000 0.000000 3.832878\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.163097853250339,
"density_atomic": 0.05589041014466256,
"volume": 35.78431424681532,
"volume_molar": 10.774908869719763,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
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"energy": -2.9962085,
"energy_per_atom": -1.49810425,
"energy_above_hull": null,
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"is_magnetic": false,
"total_magnetization": 0.0001696,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:56.616000Z",
"spacegroup": 123
},
{
"id": "mp-1094779",
"created_at": "2022-09-04T14:43:35.940200Z",
"structure_string": "Mg1 Zn1\n1.0\n3.297799 0.000000 0.000000\n0.000000 3.297799 0.000000\n0.000000 0.000000 3.297799\nMg Zn\n1 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.1537157392592,
"density_atomic": 0.05576445341304758,
"volume": 35.86514127890737,
"volume_molar": 10.799246457943331,
"formula_full": "Mg1 Zn1",
"formula_reduced": "MgZn",
"formula_anonymous": "AB",
"energy": -3.01631195,
"energy_per_atom": -1.508155975,
"energy_above_hull": null,
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"energy_uncorrected": -3.01631195,
"band_gap": 0.0,
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"total_magnetization": 0.0003387,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:19.620000Z",
"spacegroup": 221
},
{
"id": "mp-1094920",
"created_at": "2022-09-04T14:43:13.960550Z",
"structure_string": "Mg1 Zn3\n1.0\n1.488605 -2.578339 0.000000\n1.488605 2.578339 0.000000\n0.000000 0.000000 8.778603\nMg Zn\n1 3\ndirect\n0.666667 0.333333 0.500000 Mg\n0.666667 0.333333 0.000000 Zn\n0.000000 0.000000 0.759833 Zn\n0.000000 0.000000 0.240167 Zn\n",
"nsites": 4,
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"elements": [
"Mg",
"Zn"
],
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"density": 5.434327624389002,
"density_atomic": 0.05935879763723447,
"volume": 67.3868096932423,
"volume_molar": 10.14532133350094,
"formula_full": "Mg1 Zn3",
"formula_reduced": "MgZn3",
"formula_anonymous": "AB3",
"energy": -5.33308937,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 8.68e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.775000Z",
"spacegroup": 187
},
{
"id": "mp-1094463",
"created_at": "2022-09-04T14:47:21.457517Z",
"structure_string": "Mg2 Zn4\n1.0\n2.486394 -4.306560 0.000000\n2.486394 4.306560 0.000000\n0.000000 0.000000 4.772897\nMg Zn\n2 4\ndirect\n0.666667 0.333333 0.500000 Mg\n0.333333 0.666667 0.500000 Mg\n0.000000 0.319620 0.000000 Zn\n0.680380 0.680380 0.000000 Zn\n0.319620 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.040142076515887,
"density_atomic": 0.05870008647138048,
"volume": 102.21450019371487,
"volume_molar": 10.259168464659972,
"formula_full": "Mg2 Zn4",
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"energy": -8.35288994,
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"updated_at": "2021-11-28T01:38:03.853000Z",
"spacegroup": 189
},
{
"id": "mp-1094788",
"created_at": "2022-09-04T14:47:25.223369Z",
"structure_string": "Mg2 Zn2\n1.0\n1.539936 -2.667247 0.000000\n1.539936 2.667247 0.000000\n0.000000 0.000000 9.160490\nMg Zn\n2 2\ndirect\n0.333333 0.666667 0.643243 Mg\n0.666667 0.333333 0.356757 Mg\n0.666667 0.333333 0.889837 Zn\n0.333333 0.666667 0.110163 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 3.959357398932831,
"density_atomic": 0.053155154343270596,
"volume": 75.25140410972011,
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"formula_full": "Mg2 Zn2",
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"energy": -5.68653074,
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"updated_at": "2021-11-28T01:38:08.635000Z",
"spacegroup": 164
},
{
"id": "mp-1016279",
"created_at": "2022-09-04T14:47:21.343644Z",
"structure_string": "Mg7 Zn1\n1.0\n3.148341 -5.453087 0.000000\n3.148341 5.453087 0.000000\n0.000000 0.000000 5.059987\nMg Zn\n7 1\ndirect\n0.998862 0.499431 0.500000 Mg\n0.500569 0.499431 0.500000 Mg\n0.500569 0.001138 0.500000 Mg\n0.164076 0.328152 0.000000 Mg\n0.164076 0.835924 0.000000 Mg\n0.671848 0.835924 0.000000 Mg\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 8,
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],
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"density": 2.251218012499969,
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"volume": 173.74150869949818,
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"formula_full": "Mg7 Zn1",
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"updated_at": "2021-11-28T01:38:06.198000Z",
"spacegroup": 187
},
{
"id": "mp-1094791",
"created_at": "2022-09-04T14:42:44.415737Z",
"structure_string": "Mg3 Zn1\n1.0\n4.354389 0.000000 0.000000\n0.000000 4.354389 0.000000\n0.000000 0.000000 4.354389\nMg Zn\n3 1\ndirect\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.000000 0.000000 0.000000 Zn\n",
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"volume": 82.56227902838577,
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"formula_full": "Mg3 Zn1",
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"updated_at": "2021-11-28T01:35:57.366000Z",
"spacegroup": 221
},
{
"id": "mp-1094489",
"created_at": "2022-09-04T14:42:07.076809Z",
"structure_string": "Mg4 Zn2\n1.0\n1.554997 5.581139 0.000000\n-1.554997 5.581139 0.000000\n0.000000 2.030645 6.886748\nMg Zn\n4 2\ndirect\n0.142706 0.142706 0.963667 Mg\n0.530181 0.530181 0.683935 Mg\n0.469819 0.469819 0.316065 Mg\n0.857294 0.857294 0.036333 Mg\n0.803453 0.803453 0.638320 Zn\n0.196547 0.196547 0.361680 Zn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 3.167814477147044,
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"volume": 119.53541168558584,
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"formula_full": "Mg4 Zn2",
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"energy": -8.92814748,
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"updated_at": "2021-11-28T01:35:31.072000Z",
"spacegroup": 12
}
]
}