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{
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{
"id": "mp-1094463",
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"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",
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{
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{
"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": [
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"volume": 67.3868096932423,
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"formula_full": "Mg1 Zn3",
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"updated_at": "2021-11-28T01:36:10.775000Z",
"spacegroup": 187
},
{
"id": "mp-1094445",
"created_at": "2022-09-04T14:44:16.192489Z",
"structure_string": "Mg3 Zn3\n1.0\n2.444272 4.719807 0.000000\n-2.444272 4.719807 0.000000\n0.000000 3.066391 4.802362\nMg Zn\n3 3\ndirect\n0.005582 0.300803 0.015785 Mg\n0.699197 0.994418 0.984215 Mg\n0.463799 0.536201 0.500000 Mg\n0.343802 0.656198 0.000000 Zn\n0.806287 0.818667 0.506142 Zn\n0.181333 0.193713 0.493858 Zn\n",
"nsites": 6,
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"elements": [
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"chemical_system": "Mg-Zn",
"density": 4.033405725104459,
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"volume": 110.80482250549755,
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"formula_full": "Mg3 Zn3",
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"formula_anonymous": "AB",
"energy": -8.80075442,
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"updated_at": "2021-11-28T01:36:29.378000Z",
"spacegroup": 5
},
{
"id": "mp-1094191",
"created_at": "2022-09-04T14:44:01.226322Z",
"structure_string": "Mg2 Zn4\n1.0\n1.485439 -7.604798 0.000000\n1.485439 7.604798 0.000000\n0.000000 0.000000 4.616463\nMg Zn\n2 4\ndirect\n0.104774 0.895226 0.500000 Mg\n0.784136 0.215864 0.500000 Mg\n0.993926 0.006074 0.000000 Zn\n0.339391 0.660609 0.000000 Zn\n0.667635 0.332365 0.000000 Zn\n0.443470 0.556530 0.500000 Zn\n",
"nsites": 6,
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"elements": [
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"density": 4.93939125742219,
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"volume": 104.29941189255935,
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"formula_full": "Mg2 Zn4",
"formula_reduced": "MgZn2",
"formula_anonymous": "AB2",
"energy": -8.42662881,
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"updated_at": "2021-11-28T01:36:24.785000Z",
"spacegroup": 38
},
{
"id": "mp-1094456",
"created_at": "2022-09-04T14:39:09.059931Z",
"structure_string": "Mg2 Zn4\n1.0\n1.472128 5.407796 0.000000\n-1.472128 5.407796 0.000000\n0.000000 2.041790 6.470570\nMg Zn\n2 4\ndirect\n0.811911 0.811911 0.645465 Mg\n0.188089 0.188089 0.354535 Mg\n0.132962 0.132962 0.978203 Zn\n0.530729 0.530729 0.704536 Zn\n0.469271 0.469271 0.295464 Zn\n0.867038 0.867038 0.021797 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
"Zn"
],
"chemical_system": "Mg-Zn",
"density": 5.000539699190526,
"density_atomic": 0.058238856819878684,
"volume": 103.024000257368,
"volume_molar": 10.34041718680244,
"formula_full": "Mg2 Zn4",
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"energy": -8.29773264,
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"total_magnetization": 9.8e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.790000Z",
"spacegroup": 12
},
{
"id": "mp-1094484",
"created_at": "2022-09-04T14:42:17.999016Z",
"structure_string": "Mg1 Zn5\n1.0\n1.444109 -7.330006 0.000000\n1.444109 7.330006 0.000000\n0.000000 0.000000 4.568673\nMg Zn\n1 5\ndirect\n0.777656 0.222344 0.500000 Mg\n0.000547 0.999453 0.000000 Zn\n0.337695 0.662305 0.000000 Zn\n0.663594 0.336406 0.000000 Zn\n0.106155 0.893845 0.500000 Zn\n0.447685 0.552315 0.500000 Zn\n",
"nsites": 6,
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"elements": [
"Mg",
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"density": 6.032046490933879,
"density_atomic": 0.06203358426381894,
"volume": 96.7218011211952,
"volume_molar": 9.707871681876053,
"formula_full": "Mg1 Zn5",
"formula_reduced": "MgZn5",
"formula_anonymous": "AB5",
"energy": -8.06834569,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:43.769000Z",
"spacegroup": 38
},
{
"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",
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"volume": 111.04117212175589,
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"formula_full": "Mg3 Zn3",
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"energy": -8.70803783,
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"updated_at": "2021-11-28T01:35:47.702000Z",
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},
{
"id": "mp-1094427",
"created_at": "2022-09-04T14:41:53.599534Z",
"structure_string": "Mg3 Zn1\n1.0\n-1.565552 2.612038 5.001405\n1.565552 -2.612038 5.001405\n1.565552 2.612038 -5.001405\nMg Zn\n3 1\ndirect\n0.345328 0.000000 0.345328 Mg\n0.753870 0.758381 0.995490 Mg\n0.237109 0.241619 0.995490 Mg\n0.830359 0.500000 0.330359 Zn\n",
"nsites": 4,
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"spacegroup": 44
},
{
"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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"spacegroup": 51
},
{
"id": "mp-978269",
"created_at": "2022-09-04T14:45:05.094193Z",
"structure_string": "Mg2 Zn4\n1.0\n0.000000 3.701113 3.701113\n3.701113 0.000000 3.701113\n3.701113 3.701113 0.000000\nMg Zn\n2 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Mg\n0.125000 0.125000 0.125000 Zn\n0.625000 0.125000 0.125000 Zn\n0.125000 0.125000 0.625000 Zn\n0.125000 0.625000 0.125000 Zn\n",
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"updated_at": "2021-11-28T01:36:53.075000Z",
"spacegroup": 227
},
{
"id": "mp-935148",
"created_at": "2022-09-04T14:45:07.331783Z",
"structure_string": "Mg20 Zn35\n1.0\n2.643390 12.883139 0.000000\n-2.643390 12.883139 0.000000\n0.000000 3.078217 13.801519\nMg Zn\n20 35\ndirect\n0.127369 0.127369 0.897541 Mg\n0.965685 0.965685 0.712750 Mg\n0.696367 0.696367 0.350294 Mg\n0.559463 0.559463 0.950970 Mg\n0.517681 0.517681 0.600688 Mg\n0.215653 0.215653 0.024251 Mg\n0.642768 0.642768 0.572406 Mg\n0.440537 0.440537 0.049030 Mg\n0.178740 0.178740 0.674802 Mg\n0.482319 0.482319 0.399312 Mg\n0.303633 0.303633 0.649706 Mg\n0.821260 0.821260 0.325198 Mg\n0.994280 0.994280 0.902742 Mg\n0.163069 0.163069 0.251420 Mg\n0.836931 0.836931 0.748580 Mg\n0.357232 0.357232 0.427594 Mg\n0.872631 0.872631 0.102459 Mg\n0.784347 0.784347 0.975749 Mg\n0.034315 0.034315 0.287250 Mg\n0.005720 0.005720 0.097258 Mg\n0.078785 0.078785 0.591705 Zn\n0.482647 0.482647 0.819828 Zn\n0.742533 0.742533 0.660740 Zn\n0.177511 0.687430 0.243961 Zn\n0.657946 0.170043 0.570679 Zn\n0.312570 0.822489 0.756039 Zn\n0.501919 0.002129 0.498117 Zn\n0.921215 0.921215 0.408295 Zn\n0.312626 0.312626 0.858603 Zn\n0.829957 0.342054 0.429321 Zn\n0.477095 0.989609 0.824505 Zn\n0.670711 0.670711 0.962978 Zn\n0.169614 0.169614 0.465664 Zn\n0.599157 0.599157 0.266806 Zn\n0.517353 0.517353 0.180172 Zn\n0.687374 0.687374 0.141397 Zn\n0.870575 0.344885 0.100649 Zn\n0.170043 0.657946 0.570679 Zn\n0.687430 0.177511 0.243961 Zn\n0.830386 0.830386 0.534336 Zn\n0.129425 0.655115 0.899351 Zn\n0.342054 0.829957 0.429321 Zn\n0.997871 0.498081 0.501883 Zn\n0.651000 0.651000 0.785369 Zn\n0.989609 0.477095 0.824505 Zn\n0.344885 0.870575 0.100649 Zn\n0.349000 0.349000 0.214631 Zn\n0.655115 0.129425 0.899351 Zn\n0.400843 0.400843 0.733194 Zn\n0.010391 0.522905 0.175495 Zn\n0.822489 0.312570 0.756039 Zn\n0.000000 0.000000 0.500000 Zn\n0.522905 0.010391 0.175495 Zn\n0.329289 0.329289 0.037022 Zn\n0.257467 0.257467 0.339260 Zn\n",
"nsites": 55,
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"elements": [
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],
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"density": 4.902721345064598,
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"volume": 940.0258976919101,
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"formula_full": "Mg20 Zn35",
"formula_reduced": "Mg4Zn7",
"formula_anonymous": "A4B7",
"energy": -83.24908324,
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"updated_at": "2021-11-28T01:36:51.062000Z",
"spacegroup": 5
}
]
}