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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=156",
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"results": [
{
"id": "mp-1187573",
"created_at": "2022-09-04T14:44:02.096880Z",
"structure_string": "Yb1 Mg1\n1.0\n3.975026 0.000000 0.000000\n0.000000 3.975026 0.000000\n0.000000 0.000000 3.859557\nYb Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
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"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.373506992952356,
"density_atomic": 0.032795374088612675,
"volume": 60.984210596165966,
"volume_molar": 18.362775017379747,
"formula_full": "Yb1 Mg1",
"formula_reduced": "YbMg",
"formula_anonymous": "AB",
"energy": -3.25549291,
"energy_per_atom": -1.627746455,
"energy_above_hull": null,
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"energy_uncorrected": -3.25549291,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0142914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:36.268000Z",
"spacegroup": 123
},
{
"id": "mp-972352",
"created_at": "2022-09-04T14:40:15.030046Z",
"structure_string": "Yb1 Mg1\n1.0\n3.947563 0.000000 0.000000\n0.000000 3.947563 0.000000\n0.000000 0.000000 3.947563\nYb Mg\n1 1\ndirect\n0.500000 0.500000 0.500000 Yb\n0.000000 0.000000 0.000000 Mg\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 5.327065241542377,
"density_atomic": 0.032511932639142496,
"volume": 61.51587548480939,
"volume_molar": 18.522863057207772,
"formula_full": "Yb1 Mg1",
"formula_reduced": "YbMg",
"formula_anonymous": "AB",
"energy": -3.25825223,
"energy_per_atom": -1.629126115,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -3.25825223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.005763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.267000Z",
"spacegroup": 221
},
{
"id": "mp-1093721",
"created_at": "2022-09-04T14:45:57.407177Z",
"structure_string": "Sc1 Hg2 Pd1\n1.0\n-5.589114 5.810132 8.316804\n5.589114 -5.810132 8.316804\n5.589114 5.810132 -8.316804\nSc Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.264683 0.264683 Hg\n0.000000 0.735317 0.735317 Hg\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Hg",
"Pd"
],
"chemical_system": "Hg-Pd-Sc",
"density": 0.8493367231190112,
"density_atomic": 0.003702666238798586,
"volume": 1080.3026095319601,
"volume_molar": 162.64335944991956,
"formula_full": "Sc1 Hg2 Pd1",
"formula_reduced": "ScHg2Pd",
"formula_anonymous": "ABC2",
"energy": -6.51668761,
"energy_per_atom": -1.6291719025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.51668761,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999986,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.113000Z",
"spacegroup": 71
},
{
"id": "mp-1184449",
"created_at": "2022-09-04T14:47:07.504917Z",
"structure_string": "Ca1 Mg149\n1.0\n13.843078 -7.992309 0.000000\n0.000000 15.984617 0.000000\n0.000000 0.000000 15.656876\nCa Mg\n1 149\ndirect\n0.000000 0.000000 0.000000 Ca\n0.600147 0.200293 0.000000 Mg\n0.400941 0.200471 0.000000 Mg\n0.799529 0.200471 0.000000 Mg\n0.002493 0.206355 0.000000 Mg\n0.203862 0.206355 0.000000 Mg\n0.600147 0.399853 0.000000 Mg\n0.799707 0.399853 0.000000 Mg\n0.000245 0.401055 0.000000 Mg\n0.400811 0.401056 0.000000 Mg\n0.201567 0.403135 0.000000 Mg\n0.799529 0.599059 0.000000 Mg\n0.000245 0.599189 0.000000 Mg\n0.598945 0.599190 0.000000 Mg\n0.200585 0.600292 0.000000 Mg\n0.399708 0.600293 0.000000 Mg\n0.793645 0.796138 0.000000 Mg\n0.002493 0.796138 0.000000 Mg\n0.596865 0.798433 0.000000 Mg\n0.201567 0.798433 0.000000 Mg\n0.399708 0.799415 0.000000 Mg\n0.793645 0.997506 0.000000 Mg\n0.203862 0.997507 0.000000 Mg\n0.400811 0.999755 0.000000 Mg\n0.598945 0.999755 0.000000 Mg\n0.264252 0.132126 0.165210 Mg\n0.867874 0.132126 0.165210 Mg\n0.867874 0.735748 0.165210 Mg\n0.666666 0.333333 0.166290 Mg\n0.465896 0.133058 0.166573 Mg\n0.667162 0.133058 0.166573 Mg\n0.465896 0.332838 0.166573 Mg\n0.866942 0.332838 0.166573 Mg\n0.667162 0.534104 0.166573 Mg\n0.866942 0.534104 0.166573 Mg\n0.066711 0.533356 0.167352 Mg\n0.466644 0.533356 0.167352 Mg\n0.466644 0.933289 0.167352 Mg\n0.267046 0.534093 0.167368 Mg\n0.465908 0.732954 0.167368 Mg\n0.267046 0.732954 0.167368 Mg\n0.267745 0.335441 0.167734 Mg\n0.067696 0.335442 0.167734 Mg\n0.664559 0.732255 0.167734 Mg\n0.067696 0.732255 0.167734 Mg\n0.267745 0.932305 0.167734 Mg\n0.664559 0.932305 0.167734 Mg\n0.068373 0.136746 0.170771 Mg\n0.863254 0.931627 0.170771 Mg\n0.068373 0.931627 0.170771 Mg\n0.399955 0.199978 0.332902 Mg\n0.800022 0.199979 0.332902 Mg\n0.800022 0.600044 0.332902 Mg\n0.600066 0.200131 0.333038 Mg\n0.799869 0.399934 0.333038 Mg\n0.600066 0.399934 0.333038 Mg\n0.400502 0.000223 0.333797 Mg\n0.599720 0.000223 0.333797 Mg\n0.400502 0.400280 0.333797 Mg\n0.999777 0.400280 0.333797 Mg\n0.999777 0.599497 0.333797 Mg\n0.599720 0.599497 0.333797 Mg\n0.199883 0.599941 0.333813 Mg\n0.400058 0.599941 0.333813 Mg\n0.400058 0.800117 0.333813 Mg\n0.200215 0.400431 0.334018 Mg\n0.599570 0.799785 0.334018 Mg\n0.200215 0.799785 0.334018 Mg\n0.799340 0.000157 0.334008 Mg\n0.200819 0.000158 0.334008 Mg\n0.999842 0.200660 0.334008 Mg\n0.200819 0.200661 0.334008 Mg\n0.999842 0.799181 0.334008 Mg\n0.799340 0.799181 0.334008 Mg\n0.000000 0.000000 0.334249 Mg\n0.066784 0.133568 0.500000 Mg\n0.866410 0.133589 0.500000 Mg\n0.267180 0.133589 0.500000 Mg\n0.466965 0.133962 0.500000 Mg\n0.666997 0.133962 0.500000 Mg\n0.466965 0.333003 0.500000 Mg\n0.866038 0.333003 0.500000 Mg\n0.666666 0.333333 0.500000 Mg\n0.266825 0.333731 0.500000 Mg\n0.066906 0.333731 0.500000 Mg\n0.866038 0.533035 0.500000 Mg\n0.666997 0.533035 0.500000 Mg\n0.066519 0.533259 0.500000 Mg\n0.466740 0.533259 0.500000 Mg\n0.266823 0.533647 0.500000 Mg\n0.866410 0.732820 0.500000 Mg\n0.666270 0.733174 0.500000 Mg\n0.066906 0.733175 0.500000 Mg\n0.466353 0.733176 0.500000 Mg\n0.266823 0.733177 0.500000 Mg\n0.266825 0.933095 0.500000 Mg\n0.666270 0.933095 0.500000 Mg\n0.866432 0.933215 0.500000 Mg\n0.066784 0.933216 0.500000 Mg\n0.466740 0.933481 0.500000 Mg\n0.000000 0.000000 0.665751 Mg\n0.799340 0.000157 0.665992 Mg\n0.200819 0.000158 0.665992 Mg\n0.999842 0.200660 0.665992 Mg\n0.200819 0.200661 0.665992 Mg\n0.999842 0.799181 0.665992 Mg\n0.799340 0.799181 0.665992 Mg\n0.200215 0.400431 0.665982 Mg\n0.599570 0.799785 0.665982 Mg\n0.200215 0.799785 0.665982 Mg\n0.199883 0.599941 0.666187 Mg\n0.400058 0.599941 0.666187 Mg\n0.400058 0.800117 0.666187 Mg\n0.400502 0.000223 0.666203 Mg\n0.599720 0.000223 0.666203 Mg\n0.400502 0.400280 0.666203 Mg\n0.999777 0.400280 0.666203 Mg\n0.999777 0.599497 0.666203 Mg\n0.599720 0.599497 0.666203 Mg\n0.600066 0.200131 0.666962 Mg\n0.799869 0.399934 0.666962 Mg\n0.600066 0.399934 0.666962 Mg\n0.399955 0.199978 0.667097 Mg\n0.800022 0.199979 0.667097 Mg\n0.800022 0.600044 0.667097 Mg\n0.068373 0.136746 0.829229 Mg\n0.863254 0.931627 0.829229 Mg\n0.068373 0.931627 0.829229 Mg\n0.267745 0.335441 0.832266 Mg\n0.067696 0.335442 0.832266 Mg\n0.664559 0.732255 0.832266 Mg\n0.067696 0.732255 0.832266 Mg\n0.267745 0.932305 0.832266 Mg\n0.664559 0.932305 0.832266 Mg\n0.267046 0.534093 0.832632 Mg\n0.465908 0.732954 0.832632 Mg\n0.267046 0.732954 0.832632 Mg\n0.066711 0.533356 0.832648 Mg\n0.466644 0.533356 0.832648 Mg\n0.466644 0.933289 0.832648 Mg\n0.465896 0.133058 0.833428 Mg\n0.667162 0.133058 0.833428 Mg\n0.465896 0.332838 0.833428 Mg\n0.866942 0.332838 0.833428 Mg\n0.667162 0.534104 0.833428 Mg\n0.866942 0.534104 0.833428 Mg\n0.666666 0.333333 0.833710 Mg\n0.264252 0.132126 0.834790 Mg\n0.867874 0.132126 0.834790 Mg\n0.867874 0.735748 0.834790 Mg\n",
"nsites": 150,
"nelements": 2,
"elements": [
"Ca",
"Mg"
],
"chemical_system": "Ca-Mg",
"density": 1.7549746643420718,
"density_atomic": 0.04329634606646207,
"volume": 3464.4955897604486,
"volume_molar": 13.909120069291088,
"formula_full": "Ca1 Mg149",
"formula_reduced": "CaMg149",
"formula_anonymous": "AB149",
"energy": -244.38903289,
"energy_per_atom": -1.6292602192666668,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.38903289,
"band_gap": 0.4999000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0009955,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.797000Z",
"spacegroup": 187
},
{
"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,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.7440503530058116,
"density_atomic": 0.04341978797993766,
"volume": 3454.6460721850667,
"volume_molar": 13.86957661511973,
"formula_full": "Li1 Mg149",
"formula_reduced": "LiMg149",
"formula_anonymous": "AB149",
"energy": -244.45511481,
"energy_per_atom": -1.6297007654,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -244.45511481,
"band_gap": 0.5707,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.00023,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.129000Z",
"spacegroup": 187
},
{
"id": "mp-1026747",
"created_at": "2022-09-04T14:40:22.847209Z",
"structure_string": "Cs1 Ce1 Mg14\n1.0\n6.614512 -0.000000 -0.000000\n-3.307256 5.728334 -0.000000\n-0.000000 -0.000000 10.401759\nCs Ce Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Cs\n0.166667 0.333333 0.125000 Ce\n0.170915 0.835457 0.125000 Mg\n0.172180 0.836089 0.625000 Mg\n0.664543 0.329085 0.125000 Mg\n0.663911 0.327820 0.625000 Mg\n0.664543 0.835457 0.125000 Mg\n0.663911 0.836089 0.625000 Mg\n0.342998 0.157002 0.365573 Mg\n0.342998 0.157002 0.884427 Mg\n0.342998 0.685997 0.365573 Mg\n0.342998 0.685997 0.884427 Mg\n0.814003 0.157002 0.365573 Mg\n0.814003 0.157002 0.884427 Mg\n0.833333 0.666667 0.372286 Mg\n0.833333 0.666667 0.877714 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Ce",
"Mg"
],
"chemical_system": "Ce-Cs-Mg",
"density": 2.5839439012330114,
"density_atomic": 0.04059635619270561,
"volume": 394.12404216895936,
"volume_molar": 14.834190367760305,
"formula_full": "Cs1 Ce1 Mg14",
"formula_reduced": "CsCeMg14",
"formula_anonymous": "ABC14",
"energy": -26.07692595,
"energy_per_atom": -1.629807871875,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -26.07692595,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.7123887,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.600000Z",
"spacegroup": 187
},
{
"id": "mp-1185549",
"created_at": "2022-09-04T14:47:10.628133Z",
"structure_string": "Mg149 Br1\n1.0\n13.776647 -7.953955 0.000000\n-0.000000 15.907910 -0.000000\n0.000000 0.000000 15.604007\nMg Br\n149 1\ndirect\n0.204402 0.001018 -0.000000 Mg\n0.796616 0.001018 -0.000000 Mg\n0.400832 0.200416 -0.000000 Mg\n0.799584 0.200416 -0.000000 Mg\n0.600459 0.200920 -0.000000 Mg\n0.204402 0.203384 -0.000000 Mg\n0.998982 0.203384 -0.000000 Mg\n0.600459 0.399540 -0.000000 Mg\n0.799080 0.399541 -0.000000 Mg\n0.200003 0.400005 -0.000000 Mg\n0.401200 0.401680 -0.000000 Mg\n0.000480 0.401680 -0.000000 Mg\n0.598320 0.598800 -0.000000 Mg\n0.000480 0.598800 -0.000000 Mg\n0.799584 0.599168 -0.000000 Mg\n0.201000 0.600499 -0.000000 Mg\n0.399500 0.600499 -0.000000 Mg\n0.796616 0.795598 -0.000000 Mg\n0.998982 0.795598 -0.000000 Mg\n0.399500 0.799000 -0.000000 Mg\n0.599995 0.799997 -0.000000 Mg\n0.200003 0.799997 -0.000000 Mg\n0.598320 0.999521 -0.000000 Mg\n0.401200 0.999521 -0.000000 Mg\n0.666667 0.333333 0.166060 Mg\n0.466406 0.133354 0.166247 Mg\n0.666949 0.133354 0.166247 Mg\n0.466406 0.333051 0.166247 Mg\n0.866647 0.333051 0.166247 Mg\n0.666949 0.533594 0.166247 Mg\n0.866647 0.533594 0.166247 Mg\n0.266595 0.533190 0.166416 Mg\n0.466810 0.733405 0.166416 Mg\n0.266595 0.733405 0.166416 Mg\n0.266687 0.333332 0.166598 Mg\n0.066645 0.333332 0.166598 Mg\n0.666668 0.733313 0.166598 Mg\n0.066645 0.733313 0.166598 Mg\n0.666668 0.933355 0.166598 Mg\n0.266687 0.933355 0.166598 Mg\n0.867038 0.132962 0.166964 Mg\n0.265925 0.132962 0.166964 Mg\n0.867038 0.734075 0.166964 Mg\n0.466485 0.533515 0.166889 Mg\n0.067030 0.533515 0.166889 Mg\n0.466485 0.932970 0.166889 Mg\n0.067506 0.135012 0.170011 Mg\n0.864988 0.932494 0.170011 Mg\n0.067506 0.932494 0.170011 Mg\n0.000000 0.000000 0.332147 Mg\n0.800035 0.199965 0.332779 Mg\n0.399931 0.199965 0.332779 Mg\n0.800035 0.600070 0.332779 Mg\n0.600156 0.200312 0.332895 Mg\n0.799688 0.399844 0.332895 Mg\n0.600156 0.399844 0.332895 Mg\n0.199920 0.399839 0.332844 Mg\n0.199920 0.800080 0.332844 Mg\n0.600160 0.800080 0.332844 Mg\n0.200198 0.600099 0.333135 Mg\n0.399901 0.600099 0.333135 Mg\n0.399901 0.799802 0.333135 Mg\n0.400272 0.000011 0.333489 Mg\n0.599739 0.000011 0.333489 Mg\n0.400272 0.400261 0.333489 Mg\n-0.000010 0.400261 0.333489 Mg\n-0.000010 0.599729 0.333489 Mg\n0.599739 0.599729 0.333489 Mg\n0.799489 0.000081 0.334499 Mg\n0.200593 0.000081 0.334499 Mg\n0.200593 0.200511 0.334499 Mg\n0.999919 0.200511 0.334499 Mg\n0.799489 0.799407 0.334499 Mg\n0.999919 0.799407 0.334499 Mg\n0.066526 0.133052 0.500000 Mg\n0.267109 0.133554 0.500000 Mg\n0.866446 0.133555 0.500000 Mg\n0.466657 0.133401 0.500000 Mg\n0.666744 0.133401 0.500000 Mg\n0.466657 0.333256 0.500000 Mg\n0.866599 0.333257 0.500000 Mg\n0.666667 0.333333 0.500000 Mg\n0.067129 0.333713 0.500000 Mg\n0.266585 0.333713 0.500000 Mg\n0.666744 0.533343 0.500000 Mg\n0.866599 0.533343 0.500000 Mg\n0.066689 0.533344 0.500000 Mg\n0.466656 0.533344 0.500000 Mg\n0.266667 0.533333 0.500000 Mg\n0.866446 0.732891 0.500000 Mg\n0.466667 0.733333 0.500000 Mg\n0.266667 0.733333 0.500000 Mg\n0.666287 0.733415 0.500000 Mg\n0.067129 0.733415 0.500000 Mg\n0.266585 0.932871 0.500000 Mg\n0.666287 0.932871 0.500000 Mg\n0.466656 0.933311 0.500000 Mg\n0.866948 0.933474 0.500000 Mg\n0.066526 0.933474 0.500000 Mg\n0.799489 0.000081 0.665500 Mg\n0.200593 0.000081 0.665500 Mg\n0.200593 0.200511 0.665500 Mg\n0.999919 0.200511 0.665500 Mg\n0.799489 0.799407 0.665500 Mg\n0.999919 0.799407 0.665500 Mg\n0.400272 0.000011 0.666511 Mg\n0.599739 0.000011 0.666511 Mg\n0.400272 0.400261 0.666511 Mg\n-0.000010 0.400261 0.666511 Mg\n-0.000010 0.599729 0.666511 Mg\n0.599739 0.599729 0.666511 Mg\n0.200198 0.600099 0.666864 Mg\n0.399901 0.600099 0.666864 Mg\n0.399901 0.799802 0.666864 Mg\n0.199920 0.399839 0.667156 Mg\n0.199920 0.800080 0.667156 Mg\n0.600160 0.800080 0.667156 Mg\n0.600156 0.200312 0.667105 Mg\n0.799688 0.399844 0.667105 Mg\n0.600156 0.399844 0.667105 Mg\n0.800035 0.199965 0.667221 Mg\n0.399931 0.199965 0.667221 Mg\n0.800035 0.600070 0.667221 Mg\n0.000000 0.000000 0.667852 Mg\n0.067506 0.135012 0.829989 Mg\n0.864988 0.932494 0.829989 Mg\n0.067506 0.932494 0.829989 Mg\n0.466485 0.533515 0.833112 Mg\n0.067030 0.533515 0.833112 Mg\n0.466485 0.932970 0.833112 Mg\n0.867038 0.132962 0.833036 Mg\n0.265925 0.132962 0.833036 Mg\n0.867038 0.734075 0.833036 Mg\n0.266687 0.333332 0.833403 Mg\n0.066645 0.333332 0.833403 Mg\n0.666668 0.733313 0.833403 Mg\n0.066645 0.733313 0.833403 Mg\n0.666668 0.933355 0.833403 Mg\n0.266687 0.933355 0.833403 Mg\n0.266595 0.533190 0.833584 Mg\n0.466810 0.733405 0.833584 Mg\n0.266595 0.733405 0.833584 Mg\n0.466406 0.133354 0.833754 Mg\n0.666949 0.133354 0.833754 Mg\n0.466406 0.333051 0.833754 Mg\n0.866647 0.333051 0.833754 Mg\n0.666949 0.533594 0.833754 Mg\n0.866647 0.533594 0.833754 Mg\n0.666667 0.333333 0.833940 Mg\n0.000000 0.000000 -0.000000 Br\n",
"nsites": 150,
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"elements": [
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],
"chemical_system": "Br-Mg",
"density": 1.7972824839671764,
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"formula_full": "Mg149 Br1",
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"updated_at": "2021-11-28T01:37:55.407000Z",
"spacegroup": 187
},
{
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"created_at": "2022-09-04T14:41:26.562600Z",
"structure_string": "Sr1 Cd1\n1.0\n4.081591 0.000000 0.000000\n0.000000 4.081591 0.000000\n0.000000 0.000000 4.081591\nSr Cd\n1 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.000000 Cd\n",
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},
{
"id": "mp-1094292",
"created_at": "2022-09-04T14:46:32.865493Z",
"structure_string": "Sr5 Mg1\n1.0\n3.550261 -6.149233 0.000000\n3.550261 6.149233 0.000000\n0.000000 0.000000 6.666744\nSr Mg\n5 1\ndirect\n0.682574 0.000000 0.000000 Sr\n0.000000 0.682574 0.000000 Sr\n0.317426 0.317426 0.000000 Sr\n0.333333 0.666667 0.500000 Sr\n0.666667 0.333333 0.500000 Sr\n0.000000 0.000000 0.500000 Mg\n",
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"density": 2.637828849045561,
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{
"id": "mp-1038991",
"created_at": "2022-09-04T14:40:16.685194Z",
"structure_string": "Ca2 Mg4\n1.0\n1.722537 -2.983522 0.000000\n1.722537 2.983522 0.000000\n0.000000 0.000000 16.887299\nCa Mg\n2 4\ndirect\n0.666667 0.333333 0.095567 Ca\n0.333333 0.666667 0.904433 Ca\n0.333333 0.666667 0.265987 Mg\n0.666667 0.333333 0.422014 Mg\n0.333333 0.666667 0.577986 Mg\n0.666667 0.333333 0.734013 Mg\n",
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{
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"created_at": "2022-09-04T14:47:15.480779Z",
"structure_string": "Tm2 Ga12\n1.0\n14.418349 0.000000 0.000000\n0.000000 14.418349 0.000000\n0.000000 0.000000 17.702735\nTm Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Tm\n0.000000 0.500000 0.000000 Tm\n0.872872 0.000000 0.351074 Ga\n0.127128 0.000000 0.351074 Ga\n0.000000 0.872872 0.351074 Ga\n0.000000 0.127128 0.648926 Ga\n0.127128 0.000000 0.648926 Ga\n0.000000 0.127128 0.351074 Ga\n0.000000 0.872872 0.648926 Ga\n0.872872 0.000000 0.648926 Ga\n0.000000 0.500000 0.158387 Ga\n0.500000 0.000000 0.158387 Ga\n0.500000 0.000000 0.841613 Ga\n0.000000 0.500000 0.841613 Ga\n",
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],
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"volume": 3680.2001214135453,
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"formula_full": "Tm2 Ga12",
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{
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"created_at": "2022-09-04T14:48:30.160267Z",
"structure_string": "Sr1 Mg3\n1.0\n-2.786103 2.786103 3.642255\n2.786103 -2.786103 3.642255\n2.786103 2.786103 -3.642255\nSr Mg\n1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Mg\n0.250000 0.750000 0.500000 Mg\n0.750000 0.250000 0.500000 Mg\n",
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"updated_at": "2021-11-28T01:39:44.659000Z",
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]
}