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{
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{
"id": "mp-1094594",
"created_at": "2022-09-04T14:40:18.847363Z",
"structure_string": "Li3 Mg3\n1.0\n2.682240 -4.585442 0.000000\n2.682240 4.585442 0.000000\n0.000000 0.000000 5.078566\nLi Mg\n3 3\ndirect\n0.333590 0.333590 0.000000 Li\n0.666471 0.333636 0.500000 Li\n0.333636 0.666471 0.500000 Li\n0.663775 0.999673 0.000000 Mg\n0.999673 0.663775 0.000000 Mg\n0.002854 0.002854 0.500000 Mg\n",
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{
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"spacegroup": 225
},
{
"id": "mp-1094581",
"created_at": "2022-09-04T14:45:23.120946Z",
"structure_string": "Li2 Mg4\n1.0\n1.585674 -2.746468 0.000000\n1.585674 2.746468 0.000000\n0.000000 0.000000 15.022544\nLi Mg\n2 4\ndirect\n0.666667 0.333333 0.667319 Li\n0.666667 0.333333 0.332681 Li\n0.666667 0.333333 0.000000 Mg\n0.000000 0.000000 0.830761 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.000000 0.169239 Mg\n",
"nsites": 6,
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"density": 1.4099673161063138,
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"volume": 130.8464453536896,
"volume_molar": 13.13292853109278,
"formula_full": "Li2 Mg4",
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"updated_at": "2021-11-28T01:37:06.492000Z",
"spacegroup": 187
},
{
"id": "mp-1094587",
"created_at": "2022-09-04T14:45:21.530898Z",
"structure_string": "Li2 Mg4\n1.0\n1.575792 -8.289073 0.000000\n1.575792 8.289073 0.000000\n0.000000 0.000000 5.014203\nLi Mg\n2 4\ndirect\n0.111019 0.888981 0.500000 Li\n0.777468 0.222532 0.500000 Li\n0.001107 0.998893 0.000000 Mg\n0.332055 0.667945 0.000000 Mg\n0.667159 0.332841 0.000000 Mg\n0.444526 0.555474 0.500000 Mg\n",
"nsites": 6,
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"elements": [
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"volume": 130.98958425904073,
"volume_molar": 13.147295241697062,
"formula_full": "Li2 Mg4",
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"total_magnetization": 9.68e-05,
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"updated_at": "2021-11-28T01:37:01.318000Z",
"spacegroup": 38
},
{
"id": "mp-866755",
"created_at": "2022-09-04T14:39:31.379402Z",
"structure_string": "Li1 Mg149\n1.0\n13.822148 -7.972367 0.000001\n0.007659 15.958001 0.000000\n0.000001 0.000000 15.657749\nLi Mg\n1 149\ndirect\n0.999996 0.000005 0.999997 Li\n0.198310 0.198317 0.999999 Mg\n0.999988 0.198303 0.000000 Mg\n0.800181 0.199821 0.999998 Mg\n0.399629 0.199818 0.999999 Mg\n0.599972 0.199953 0.999999 Mg\n0.399590 0.399677 0.999998 Mg\n0.000071 0.399676 0.999998 Mg\n0.199849 0.399710 0.999998 Mg\n0.800049 0.400030 0.999999 Mg\n0.599970 0.400031 0.999998 Mg\n0.200046 0.600029 0.999998 Mg\n0.399970 0.600032 0.999997 Mg\n0.800183 0.600373 0.999998 Mg\n0.600326 0.600413 0.999998 Mg\n0.000074 0.600411 0.999999 Mg\n0.399971 0.799956 0.999998 Mg\n0.600293 0.800153 0.999999 Mg\n0.199849 0.800152 0.999999 Mg\n0.801687 0.801693 0.999999 Mg\n0.999996 0.801704 0.000000 Mg\n0.600325 0.999930 0.999998 Mg\n0.399593 0.999929 0.999999 Mg\n0.801699 0.000012 0.999999 Mg\n0.198297 0.000005 0.999998 Mg\n0.066199 0.132378 0.165134 Mg\n0.867621 0.933799 0.165133 Mg\n0.066195 0.933803 0.165130 Mg\n0.666670 0.333326 0.166503 Mg\n0.466605 0.133364 0.166626 Mg\n0.666775 0.133365 0.166624 Mg\n0.466602 0.333226 0.166628 Mg\n0.866634 0.333224 0.166623 Mg\n0.666773 0.533395 0.166628 Mg\n0.866634 0.533395 0.166626 Mg\n0.866727 0.133269 0.166590 Mg\n0.266550 0.133273 0.166596 Mg\n0.866724 0.733448 0.166597 Mg\n0.266342 0.333034 0.166629 Mg\n0.066706 0.333037 0.166627 Mg\n0.066709 0.733654 0.166626 Mg\n0.666964 0.733656 0.166629 Mg\n0.666962 0.933293 0.166627 Mg\n0.266345 0.933291 0.166626 Mg\n0.066694 0.533343 0.166682 Mg\n0.466659 0.533341 0.166685 Mg\n0.466657 0.933305 0.166681 Mg\n0.266606 0.533197 0.166718 Mg\n0.266607 0.733392 0.166716 Mg\n0.466801 0.733392 0.166718 Mg\n0.999996 0.000006 0.332630 Mg\n0.800053 0.999902 0.332893 Mg\n0.199838 0.999904 0.332894 Mg\n0.199838 0.199948 0.332889 Mg\n0.000098 0.199948 0.332892 Mg\n0.800054 0.800164 0.332888 Mg\n0.000096 0.800165 0.332892 Mg\n0.400005 0.000052 0.333308 Mg\n0.600034 0.000049 0.333308 Mg\n0.400001 0.399967 0.333302 Mg\n0.999953 0.399967 0.333307 Mg\n0.999949 0.599997 0.333307 Mg\n0.600035 0.600002 0.333301 Mg\n0.599970 0.199958 0.333371 Mg\n0.599974 0.400028 0.333367 Mg\n0.800043 0.400031 0.333370 Mg\n0.399952 0.199981 0.333347 Mg\n0.800018 0.199984 0.333347 Mg\n0.800021 0.600049 0.333347 Mg\n0.200052 0.400120 0.333448 Mg\n0.200052 0.799949 0.333450 Mg\n0.599882 0.799950 0.333447 Mg\n0.199942 0.599975 0.333568 Mg\n0.400022 0.599979 0.333568 Mg\n0.400024 0.800059 0.333569 Mg\n0.066679 0.133339 0.500002 Mg\n0.266699 0.133343 0.500001 Mg\n0.866652 0.133345 0.500002 Mg\n0.666780 0.133560 0.500001 Mg\n0.466796 0.133559 0.500002 Mg\n0.066634 0.333213 0.500002 Mg\n0.266590 0.333210 0.500001 Mg\n0.866438 0.333217 0.500003 Mg\n0.466795 0.333221 0.500001 Mg\n0.666671 0.333327 0.500002 Mg\n0.866439 0.533202 0.500002 Mg\n0.666777 0.533202 0.500001 Mg\n0.066608 0.533298 0.500001 Mg\n0.466702 0.533298 0.500001 Mg\n0.266676 0.533336 0.500002 Mg\n0.266675 0.733324 0.500001 Mg\n0.466662 0.733323 0.500001 Mg\n0.866655 0.733300 0.500001 Mg\n0.666787 0.733408 0.500001 Mg\n0.066636 0.733407 0.500001 Mg\n0.866660 0.933321 0.500001 Mg\n0.066677 0.933321 0.500003 Mg\n0.666786 0.933366 0.500002 Mg\n0.266592 0.933364 0.500001 Mg\n0.466701 0.933390 0.500001 Mg\n0.199942 0.599976 0.666432 Mg\n0.400023 0.599978 0.666435 Mg\n0.400024 0.800059 0.666433 Mg\n0.200053 0.400121 0.666554 Mg\n0.200052 0.799947 0.666552 Mg\n0.599882 0.799950 0.666554 Mg\n0.399953 0.199981 0.666656 Mg\n0.800019 0.199985 0.666653 Mg\n0.800021 0.600050 0.666655 Mg\n0.599971 0.199959 0.666632 Mg\n0.599974 0.400029 0.666636 Mg\n0.800043 0.400031 0.666634 Mg\n0.400004 0.000052 0.666695 Mg\n0.600035 0.000048 0.666694 Mg\n0.400001 0.399966 0.666701 Mg\n0.999953 0.399967 0.666695 Mg\n0.999951 0.599997 0.666695 Mg\n0.600034 0.600001 0.666700 Mg\n0.800052 0.999902 0.667107 Mg\n0.199838 0.999904 0.667108 Mg\n0.199837 0.199948 0.667113 Mg\n0.000098 0.199947 0.667108 Mg\n0.800054 0.800164 0.667113 Mg\n0.000096 0.800165 0.667110 Mg\n0.999995 0.000005 0.667372 Mg\n0.266607 0.533198 0.833280 Mg\n0.266606 0.733391 0.833283 Mg\n0.466800 0.733391 0.833281 Mg\n0.066694 0.533343 0.833317 Mg\n0.466659 0.533340 0.833314 Mg\n0.466657 0.933304 0.833317 Mg\n0.266342 0.333034 0.833370 Mg\n0.066706 0.333038 0.833371 Mg\n0.066707 0.733653 0.833372 Mg\n0.666963 0.733654 0.833370 Mg\n0.666962 0.933294 0.833371 Mg\n0.266345 0.933292 0.833373 Mg\n0.866727 0.133269 0.833407 Mg\n0.266550 0.133274 0.833403 Mg\n0.866724 0.733449 0.833402 Mg\n0.466605 0.133364 0.833372 Mg\n0.666775 0.133366 0.833375 Mg\n0.466603 0.333226 0.833371 Mg\n0.866634 0.333223 0.833374 Mg\n0.666773 0.533395 0.833371 Mg\n0.866633 0.533394 0.833372 Mg\n0.666670 0.333327 0.833496 Mg\n0.066200 0.132378 0.834865 Mg\n0.867621 0.933800 0.834865 Mg\n0.066195 0.933804 0.834868 Mg\n",
"nsites": 150,
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"elements": [
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"volume": 3454.6460721850667,
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"formula_full": "Li1 Mg149",
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"updated_at": "2021-11-28T01:34:38.129000Z",
"spacegroup": 187
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{
"id": "mp-976139",
"created_at": "2022-09-04T14:44:46.710583Z",
"structure_string": "Li3 Mg1\n1.0\n3.084965 0.000000 0.000000\n0.000000 4.980281 0.000000\n0.000000 0.000000 5.250380\nLi Mg\n3 1\ndirect\n0.000000 0.000000 0.998656 Li\n0.500000 0.000000 0.499585 Li\n0.500000 0.500000 0.832902 Li\n0.000000 0.500000 0.335524 Mg\n",
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"volume": 80.66679933679481,
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"spacegroup": 25
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{
"id": "mp-976254",
"created_at": "2022-09-04T14:45:03.372551Z",
"structure_string": "Li3 Mg1\n1.0\n4.315900 0.000000 0.000000\n0.000000 4.315900 0.000000\n0.000000 0.000000 4.315900\nLi Mg\n3 1\ndirect\n0.500000 0.500000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Mg\n",
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"volume": 80.39223826867901,
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"formula_full": "Li3 Mg1",
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"spacegroup": 221
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{
"id": "mp-1100190",
"created_at": "2022-09-04T14:43:42.481718Z",
"structure_string": "Li3 Mg3\n1.0\n1.573746 5.616324 0.000000\n-1.573746 5.616324 0.000000\n0.000000 2.154951 7.101188\nLi Mg\n3 3\ndirect\n0.611512 0.611512 0.277047 Li\n0.332765 0.332765 0.334627 Li\n0.945816 0.945816 0.608419 Li\n0.997504 0.997504 0.008875 Mg\n0.666821 0.666821 0.660880 Mg\n0.278914 0.278914 0.943484 Mg\n",
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"volume": 125.53007817560976,
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"formula_full": "Li3 Mg3",
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"spacegroup": 8
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{
"id": "mp-1094598",
"created_at": "2022-09-04T14:43:42.299493Z",
"structure_string": "Li6 Mg2\n1.0\n3.063632 -5.306366 0.000000\n3.063632 5.306366 0.000000\n0.000000 0.000000 4.915538\nLi Mg\n6 2\ndirect\n0.327767 0.163884 0.250000 Li\n0.836116 0.163884 0.250000 Li\n0.836116 0.672233 0.250000 Li\n0.672233 0.836116 0.750000 Li\n0.163884 0.327767 0.750000 Li\n0.163884 0.836116 0.750000 Li\n0.333333 0.666667 0.250000 Mg\n0.666667 0.333333 0.750000 Mg\n",
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"formula_full": "Li6 Mg2",
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{
"id": "mp-1094562",
"created_at": "2022-09-04T14:43:35.369878Z",
"structure_string": "Li4 Mg2\n1.0\n1.526998 -7.929456 0.000000\n1.526998 7.929456 0.000000\n0.000000 0.000000 5.032142\nLi Mg\n4 2\ndirect\n0.999501 0.000499 0.000000 Li\n0.333292 0.666708 0.000000 Li\n0.666603 0.333397 0.000000 Li\n0.444427 0.555573 0.500000 Li\n0.109823 0.890177 0.500000 Mg\n0.779686 0.220314 0.500000 Mg\n",
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"spacegroup": 38
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{
"id": "mp-1094580",
"created_at": "2022-09-04T14:40:56.075054Z",
"structure_string": "Li3 Mg3\n1.0\n1.582285 -2.740598 0.000000\n1.582285 2.740598 0.000000\n0.000000 0.000000 15.029430\nLi Mg\n3 3\ndirect\n0.000000 0.000000 0.666243 Li\n0.666667 0.333333 0.500000 Li\n0.000000 0.000000 0.333757 Li\n0.000000 0.000000 0.000000 Mg\n0.666667 0.333333 0.831274 Mg\n0.666667 0.333333 0.168726 Mg\n",
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"elements": [
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"density": 1.1941591961389764,
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"formula_full": "Li3 Mg3",
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"formula_anonymous": "AB",
"energy": -10.56977416,
"energy_per_atom": -1.7616290266666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.56977416,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.926000Z",
"spacegroup": 187
},
{
"id": "mp-1094601",
"created_at": "2022-09-04T14:41:07.593168Z",
"structure_string": "Li4 Mg2\n1.0\n1.519819 5.637084 0.000000\n-1.519819 5.637084 0.000000\n0.000000 2.199163 7.181659\nLi Mg\n4 2\ndirect\n0.804462 0.804462 0.639464 Li\n0.139765 0.139765 0.970347 Li\n0.860235 0.860235 0.029653 Li\n0.195538 0.195538 0.360536 Li\n0.527166 0.527166 0.696291 Mg\n0.472834 0.472834 0.303709 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0306079366750516,
"density_atomic": 0.04875847329071529,
"volume": 123.0555346601169,
"volume_molar": 12.350962517004712,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy": -11.05644379,
"energy_per_atom": -1.8427406316666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.05644379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000753,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.091000Z",
"spacegroup": 12
}
]
}