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{
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"results": [
{
"id": "mp-1094428",
"created_at": "2022-09-04T14:40:05.986438Z",
"structure_string": "Mg1 Zn5\n1.0\n1.398633 -2.422503 0.000000\n1.398633 2.422503 0.000000\n0.000000 0.000000 14.372677\nMg Zn\n1 5\ndirect\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.824952 Zn\n0.666667 0.333333 0.663621 Zn\n0.000000 0.000000 0.500000 Zn\n0.666667 0.333333 0.336379 Zn\n0.000000 0.000000 0.175048 Zn\n",
"nsites": 6,
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"density": 5.990365195609467,
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{
"id": "mp-570025",
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"structure_string": "Mg42 Zn50\n1.0\n7.925861 -12.784967 0.000000\n7.925861 12.784967 0.000000\n-12.697184 0.000000 8.065741\nMg Zn\n42 50\ndirect\n0.750000 0.057197 0.442803 Mg\n0.454945 0.936864 0.358766 Mg\n0.641234 0.545055 0.063136 Mg\n0.181332 0.065291 0.947866 Mg\n0.442803 0.750000 0.057197 Mg\n0.045055 0.141234 0.563136 Mg\n0.250000 0.942803 0.557197 Mg\n0.683823 0.223599 0.451732 Mg\n0.776401 0.548268 0.316177 Mg\n0.947866 0.181332 0.065291 Mg\n0.936864 0.358766 0.454945 Mg\n0.858766 0.436864 0.954945 Mg\n0.681332 0.447866 0.565291 Mg\n0.316177 0.776401 0.548268 Mg\n0.557197 0.250000 0.942803 Mg\n0.954945 0.858766 0.436864 Mg\n0.141234 0.563136 0.045055 Mg\n0.436864 0.954945 0.858766 Mg\n0.951732 0.723599 0.183823 Mg\n0.318668 0.552134 0.434709 Mg\n0.451732 0.683823 0.223599 Mg\n0.358766 0.454945 0.936864 Mg\n0.052134 0.818668 0.934709 Mg\n0.934709 0.052134 0.818668 Mg\n0.723599 0.183823 0.951732 Mg\n0.942803 0.557197 0.250000 Mg\n0.276401 0.816177 0.048268 Mg\n0.223599 0.451732 0.683823 Mg\n0.057197 0.442803 0.750000 Mg\n0.183823 0.951732 0.723599 Mg\n0.434709 0.318668 0.552134 Mg\n0.063136 0.641234 0.545055 Mg\n0.552134 0.434709 0.318668 Mg\n0.565291 0.681332 0.447866 Mg\n0.545055 0.063136 0.641234 Mg\n0.447866 0.565291 0.681332 Mg\n0.548268 0.316177 0.776401 Mg\n0.816177 0.048268 0.276401 Mg\n0.048268 0.276401 0.816177 Mg\n0.563136 0.045055 0.141234 Mg\n0.065291 0.947866 0.181332 Mg\n0.818668 0.934709 0.052134 Mg\n0.310919 0.019151 0.427715 Zn\n0.250000 0.691917 0.808083 Zn\n0.119252 0.763980 0.118977 Zn\n0.736020 0.380748 0.381023 Zn\n0.980849 0.572285 0.689081 Zn\n0.308597 0.372879 0.071467 Zn\n0.689209 0.810791 0.750000 Zn\n0.810919 0.927715 0.519151 Zn\n0.881023 0.880748 0.236020 Zn\n0.480849 0.189081 0.072285 Zn\n0.072285 0.480849 0.189081 Zn\n0.750000 0.689209 0.810791 Zn\n0.372879 0.071467 0.308597 Zn\n0.236020 0.881023 0.880748 Zn\n0.118977 0.119252 0.763980 Zn\n0.750000 0.308083 0.191917 Zn\n0.691917 0.808083 0.250000 Zn\n0.519151 0.810919 0.927715 Zn\n0.191403 0.428533 0.127121 Zn\n0.927715 0.519151 0.810919 Zn\n0.310791 0.189209 0.250000 Zn\n0.127121 0.191403 0.428533 Zn\n0.572285 0.689081 0.980849 Zn\n0.381023 0.736020 0.380748 Zn\n0.810791 0.750000 0.689209 Zn\n0.500000 0.500000 0.500000 Zn\n0.808083 0.250000 0.691917 Zn\n0.571467 0.872879 0.808597 Zn\n0.872879 0.808597 0.571467 Zn\n0.428533 0.127121 0.191403 Zn\n0.250000 0.310791 0.189209 Zn\n0.928533 0.691403 0.627121 Zn\n0.763980 0.118977 0.119252 Zn\n0.308083 0.191917 0.750000 Zn\n0.189209 0.250000 0.310791 Zn\n0.427715 0.310919 0.019151 Zn\n0.000000 0.000000 0.000000 Zn\n0.880748 0.236020 0.881023 Zn\n0.263980 0.619252 0.618977 Zn\n0.627121 0.928533 0.691403 Zn\n0.019151 0.427715 0.310919 Zn\n0.380748 0.381023 0.736020 Zn\n0.691403 0.627121 0.928533 Zn\n0.689081 0.980849 0.572285 Zn\n0.191917 0.750000 0.308083 Zn\n0.189081 0.072285 0.480849 Zn\n0.808597 0.571467 0.872879 Zn\n0.618977 0.263980 0.619252 Zn\n0.619252 0.618977 0.263980 Zn\n0.071467 0.308597 0.372879 Zn\n",
"nsites": 92,
"nelements": 2,
"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 4.3592682568206484,
"density_atomic": 0.056281737525263616,
"volume": 1634.6332584118118,
"volume_molar": 10.699990840362375,
"formula_full": "Mg42 Zn50",
"formula_reduced": "Mg21Zn25",
"formula_anonymous": "A21B25",
"energy": -136.62711737,
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"updated_at": "2021-11-28T01:34:53.136000Z",
"spacegroup": 167
},
{
"id": "mp-1094422",
"created_at": "2022-09-04T14:40:07.428061Z",
"structure_string": "Mg4 Zn2\n1.0\n1.550096 -7.818296 0.000000\n1.550096 7.818296 0.000000\n0.000000 0.000000 4.890197\nMg Zn\n4 2\ndirect\n0.098702 0.901298 0.250000 Mg\n0.784089 0.215911 0.250000 Mg\n0.215911 0.784089 0.750000 Mg\n0.901298 0.098702 0.750000 Mg\n0.445544 0.554456 0.250000 Zn\n0.554456 0.445544 0.750000 Zn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 3.194693998965241,
"density_atomic": 0.05062023948695707,
"volume": 118.52966443483488,
"volume_molar": 11.89670539103569,
"formula_full": "Mg4 Zn2",
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"formula_anonymous": "AB2",
"energy": -9.24708116,
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"total_magnetization": 3.04e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.814000Z",
"spacegroup": 63
},
{
"id": "mp-1094789",
"created_at": "2022-09-04T14:40:37.971366Z",
"structure_string": "Mg3 Zn1\n1.0\n1.575803 -2.729370 0.000000\n1.575803 2.729370 0.000000\n0.000000 0.000000 9.559527\nMg Zn\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.731236 Mg\n0.666667 0.333333 0.268764 Mg\n0.000000 0.000000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Mg-Zn",
"density": 2.7932891872269194,
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"volume": 82.23008448201851,
"volume_molar": 12.380028586435179,
"formula_full": "Mg3 Zn1",
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"updated_at": "2021-11-28T01:35:04.324000Z",
"spacegroup": 187
},
{
"id": "mp-1094503",
"created_at": "2022-09-04T14:40:43.245298Z",
"structure_string": "Mg4 Zn2\n1.0\n1.546976 5.706052 0.000000\n-1.546976 5.706052 0.000000\n0.000000 1.764449 6.644913\nMg Zn\n4 2\ndirect\n0.825547 0.825547 0.119870 Mg\n0.135423 0.135423 0.462779 Mg\n0.864577 0.864577 0.537221 Mg\n0.174453 0.174453 0.880130 Mg\n0.525745 0.525745 0.200324 Zn\n0.474255 0.474255 0.799676 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
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],
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"volume": 117.31096195857728,
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"formula_full": "Mg4 Zn2",
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"updated_at": "2021-11-28T01:35:06.482000Z",
"spacegroup": 12
},
{
"id": "mp-1094476",
"created_at": "2022-09-04T14:39:39.185906Z",
"structure_string": "Mg1 Zn3\n1.0\n-2.059242 2.059242 3.886386\n2.059242 -2.059242 3.886386\n2.059242 2.059242 -3.886386\nMg Zn\n1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Zn\n0.250000 0.750000 0.500000 Zn\n0.750000 0.250000 0.500000 Zn\n",
"nsites": 4,
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"elements": [
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"density": 5.5552040312987145,
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"volume": 65.92053133821969,
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"formula_full": "Mg1 Zn3",
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"updated_at": "2021-11-28T01:34:25.127000Z",
"spacegroup": 139
},
{
"id": "mp-1094432",
"created_at": "2022-09-04T14:47:17.057986Z",
"structure_string": "Mg2 Zn4\n1.0\n1.472613 5.319645 0.000000\n-1.472613 5.319645 0.000000\n0.000000 1.692257 6.418808\nMg Zn\n2 4\ndirect\n0.525660 0.525660 0.205322 Mg\n0.474340 0.474340 0.794678 Mg\n0.802509 0.802509 0.142354 Zn\n0.147682 0.147682 0.468692 Zn\n0.852318 0.852318 0.531308 Zn\n0.197491 0.197491 0.857646 Zn\n",
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"updated_at": "2021-11-28T01:38:00.201000Z",
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},
{
"id": "mp-1094468",
"created_at": "2022-09-04T14:47:16.521989Z",
"structure_string": "Mg4 Zn2\n1.0\n2.553000 4.600931 0.000000\n-2.553000 4.600931 0.000000\n0.000000 3.303390 5.019440\nMg Zn\n4 2\ndirect\n0.246585 0.416125 0.751204 Mg\n0.583875 0.753415 0.748796 Mg\n0.416125 0.246585 0.251204 Mg\n0.753415 0.583875 0.248796 Mg\n0.082373 0.917627 0.250000 Zn\n0.917627 0.082373 0.750000 Zn\n",
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"volume": 117.91845978565586,
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"updated_at": "2021-11-28T01:37:59.687000Z",
"spacegroup": 15
},
{
"id": "mp-1094493",
"created_at": "2022-09-04T14:45:36.907070Z",
"structure_string": "Mg3 Zn3\n1.0\n1.518709 5.532022 0.000000\n-1.518709 5.532022 0.000000\n0.000000 1.855953 6.587230\nMg Zn\n3 3\ndirect\n0.999020 0.999020 0.016798 Mg\n0.667510 0.667510 0.647811 Mg\n0.278425 0.278425 0.946887 Mg\n0.608203 0.608203 0.283875 Zn\n0.336281 0.336281 0.333619 Zn\n0.943894 0.943894 0.604343 Zn\n",
"nsites": 6,
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"elements": [
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"density": 4.037748685347887,
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"volume": 110.68564199763989,
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"formula_full": "Mg3 Zn3",
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"updated_at": "2021-11-28T01:37:02.604000Z",
"spacegroup": 8
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{
"id": "mp-1094198",
"created_at": "2022-09-04T14:47:10.425933Z",
"structure_string": "Mg2 Zn4\n1.0\n2.417489 -4.555072 0.000000\n2.417489 4.555072 0.000000\n0.000000 0.000000 4.671581\nMg Zn\n2 4\ndirect\n0.700274 0.700274 0.750000 Mg\n0.299726 0.299726 0.250000 Mg\n0.985695 0.353104 0.750000 Zn\n0.353104 0.985695 0.750000 Zn\n0.646896 0.014305 0.250000 Zn\n0.014305 0.646896 0.250000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 5.007277455450032,
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"volume": 102.88537190917094,
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"formula_full": "Mg2 Zn4",
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"spacegroup": 63
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{
"id": "mp-1094956",
"created_at": "2022-09-04T14:42:04.649476Z",
"structure_string": "Mg2 Zn2\n1.0\n3.028202 0.000000 0.000000\n0.000000 4.934615 0.000000\n0.000000 0.000000 4.982497\nMg Zn\n2 2\ndirect\n0.000000 0.000000 0.100835 Mg\n0.500000 0.500000 0.899165 Mg\n0.500000 0.000000 0.594896 Zn\n0.000000 0.500000 0.405104 Zn\n",
"nsites": 4,
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"volume": 74.45350753940293,
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"updated_at": "2021-11-28T01:35:40.661000Z",
"spacegroup": 59
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{
"id": "mp-978268",
"created_at": "2022-09-04T14:42:06.652024Z",
"structure_string": "Mg2 Zn2\n1.0\n3.148879 0.000000 0.000000\n0.000000 4.656355 0.000000\n0.000000 0.000000 4.952332\nMg Zn\n2 2\ndirect\n0.500000 0.750000 0.195692 Mg\n0.500000 0.250000 0.804308 Mg\n0.000000 0.750000 0.679043 Zn\n0.000000 0.250000 0.320957 Zn\n",
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"updated_at": "2021-11-28T01:35:36.595000Z",
"spacegroup": 51
}
]
}