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{
"count": 146323,
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"results": [
{
"id": "mp-1364006",
"created_at": "2022-09-04T14:44:28.783055Z",
"structure_string": "Mn8 P14 O48\n1.0\n10.172512 0.000000 0.000000\n-3.030138 10.210748 0.000000\n-3.396258 -5.221248 8.767390\nMn P O\n8 14 48\ndirect\n0.498215 0.110403 0.743659 Mn\n0.987873 0.617462 0.077106 Mn\n0.486415 0.336054 0.893405 Mn\n0.003272 0.178152 0.416051 Mn\n0.996728 0.821848 0.583949 Mn\n0.513585 0.663946 0.106595 Mn\n0.012127 0.382538 0.922894 Mn\n0.501785 0.889597 0.256341 Mn\n0.223607 0.205922 0.768618 P\n0.803741 0.387101 0.436736 P\n0.801376 0.061249 0.262163 P\n0.776393 0.794078 0.231382 P\n0.737038 0.982745 0.756967 P\n0.744800 0.608106 0.528591 P\n0.269480 0.817756 0.112267 P\n0.246563 0.444960 0.051479 P\n0.753437 0.555040 0.948521 P\n0.730520 0.182244 0.887733 P\n0.255200 0.391894 0.471409 P\n0.262962 0.017255 0.243033 P\n0.198624 0.938751 0.737837 P\n0.196259 0.612899 0.563264 P\n0.129657 0.791487 0.879638 O\n0.380783 0.027571 0.662125 O\n0.889432 0.761740 0.133353 O\n0.367207 0.936499 0.945210 O\n0.623373 0.284682 0.547012 O\n0.827522 0.448078 0.275264 O\n0.339923 0.413217 0.926501 O\n0.844825 0.531519 0.466421 O\n0.357668 0.199231 0.803696 O\n0.631211 0.024124 0.693749 O\n0.685722 0.668894 0.409063 O\n0.869374 0.952319 0.215376 O\n0.840306 0.072046 0.382521 O\n0.125144 0.482223 0.006326 O\n0.597769 0.494981 0.678553 O\n0.909014 0.320351 0.463548 O\n0.134123 0.676838 0.153633 O\n0.651248 0.835190 0.902232 O\n0.812123 0.113586 0.791530 O\n0.878074 0.998183 0.626824 O\n0.852141 0.747419 0.516901 O\n0.618408 0.221706 0.825316 O\n0.156153 0.299419 0.207339 O\n0.644776 0.421693 0.951591 O\n0.355224 0.578307 0.048409 O\n0.843847 0.700581 0.792661 O\n0.381592 0.778294 0.174684 O\n0.147859 0.252581 0.483099 O\n0.121926 0.001817 0.373176 O\n0.187877 0.886414 0.208470 O\n0.348752 0.164810 0.097768 O\n0.865877 0.323162 0.846367 O\n0.090986 0.679649 0.536452 O\n0.402231 0.505019 0.321447 O\n0.874856 0.517777 0.993674 O\n0.159694 0.927954 0.617479 O\n0.130626 0.047681 0.784624 O\n0.314278 0.331106 0.590937 O\n0.368789 0.975876 0.306251 O\n0.642332 0.800769 0.196304 O\n0.155175 0.468481 0.533579 O\n0.660077 0.586783 0.073499 O\n0.172478 0.551922 0.724736 O\n0.376627 0.715318 0.452988 O\n0.632793 0.063501 0.054790 O\n0.110568 0.238260 0.866647 O\n0.619217 0.972429 0.337875 O\n0.870343 0.208513 0.120362 O\n",
"nsites": 70,
"nelements": 3,
"elements": [
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P",
"density": 2.9924728980621556,
"density_atomic": 0.07686735644829266,
"volume": 910.6596510456006,
"volume_molar": 7.834458004355841,
"formula_full": "Mn8 P14 O48",
"formula_reduced": "Mn4P7O24",
"formula_anonymous": "A4B7C24",
"energy": -108.78477628,
"energy_per_atom": -1.5540682325714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.71277628,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.2098496,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.202000Z",
"spacegroup": 2
},
{
"id": "mp-1096397",
"created_at": "2022-09-04T14:47:57.175601Z",
"structure_string": "Mg2 Ga1 Pd1\n1.0\n-5.436170 5.525282 7.798947\n5.436170 -5.525282 7.798947\n5.436170 5.525282 -7.798947\nMg Ga Pd\n2 1 1\ndirect\n0.000000 0.272099 0.272099 Mg\n0.000000 0.727901 0.727901 Mg\n0.000000 0.000000 0.000000 Ga\n0.000000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Ga",
"Pd"
],
"chemical_system": "Ga-Mg-Pd",
"density": 0.398300779660075,
"density_atomic": 0.004268905617739705,
"volume": 937.0083009982111,
"volume_molar": 141.0698970474919,
"formula_full": "Mg2 Ga1 Pd1",
"formula_reduced": "Mg2GaPd",
"formula_anonymous": "ABC2",
"energy": -6.21738364,
"energy_per_atom": -1.55434591,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -6.21738364,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.9581372,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.308000Z",
"spacegroup": 71
},
{
"id": "mp-1028004",
"created_at": "2022-09-04T14:40:15.288505Z",
"structure_string": "Sr1 Mg14 Zn1\n1.0\n6.513410 0.021396 0.000000\n-3.238176 5.608684 0.000000\n0.000000 0.000000 10.571260\nSr Mg Zn\n1 14 1\ndirect\n0.157776 0.828887 0.125000 Sr\n0.163358 0.331678 0.625000 Mg\n0.167792 0.833895 0.625000 Mg\n0.651085 0.337698 0.125000 Mg\n0.666275 0.329750 0.625000 Mg\n0.651085 0.813386 0.125000 Mg\n0.666275 0.836524 0.625000 Mg\n0.336302 0.175316 0.384690 Mg\n0.336302 0.175316 0.865310 Mg\n0.336302 0.660987 0.384690 Mg\n0.336302 0.660987 0.865310 Mg\n0.839613 0.169807 0.361848 Mg\n0.839613 0.169807 0.888152 Mg\n0.825165 0.662583 0.388443 Mg\n0.825165 0.662583 0.861557 Mg\n0.201591 0.350795 0.125000 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Zn"
],
"chemical_system": "Mg-Sr-Zn",
"density": 2.1170948202169537,
"density_atomic": 0.04135242281543429,
"volume": 386.91807905456494,
"volume_molar": 14.562969591596236,
"formula_full": "Sr1 Mg14 Zn1",
"formula_reduced": "SrMg14Zn",
"formula_anonymous": "ABC14",
"energy": -24.86976775,
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"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 3.8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.710000Z",
"spacegroup": 38
},
{
"id": "mp-1028267",
"created_at": "2022-09-04T14:44:08.729698Z",
"structure_string": "Cs1 Mg14 Sn1\n1.0\n6.556423 -0.000000 -0.000000\n-3.278211 5.678028 -0.000000\n0.000000 0.000000 10.933644\nCs Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Cs\n0.161958 0.830979 0.125000 Mg\n0.171680 0.835840 0.625000 Mg\n0.669021 0.338042 0.125000 Mg\n0.664160 0.328320 0.625000 Mg\n0.669021 0.830979 0.125000 Mg\n0.664160 0.835840 0.625000 Mg\n0.339189 0.160811 0.361340 Mg\n0.339189 0.160811 0.888660 Mg\n0.339189 0.678379 0.361340 Mg\n0.339189 0.678379 0.888660 Mg\n0.821621 0.160811 0.361340 Mg\n0.821621 0.160811 0.888660 Mg\n0.833333 0.666667 0.381211 Mg\n0.833333 0.666667 0.868789 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Cs",
"Mg",
"Sn"
],
"chemical_system": "Cs-Mg-Sn",
"density": 2.4146675113409883,
"density_atomic": 0.039308869917962036,
"volume": 407.0328155806092,
"volume_molar": 15.320055683534687,
"formula_full": "Cs1 Mg14 Sn1",
"formula_reduced": "CsMg14Sn",
"formula_anonymous": "ABC14",
"energy": -24.87395629,
"energy_per_atom": -1.554622268125,
"energy_above_hull": null,
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"band_gap": 0.0,
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"total_magnetization": 4.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:31.241000Z",
"spacegroup": 187
},
{
"id": "mp-1187989",
"created_at": "2022-09-04T14:40:34.661743Z",
"structure_string": "Yb6 Mg2\n1.0\n3.674157 -6.363827 0.000000\n3.674157 6.363827 0.000000\n0.000000 0.000000 6.006067\nYb Mg\n6 2\ndirect\n0.169957 0.339914 0.250000 Yb\n0.169957 0.830043 0.250000 Yb\n0.660086 0.830043 0.250000 Yb\n0.339914 0.169957 0.750000 Yb\n0.830043 0.169957 0.750000 Yb\n0.830043 0.660086 0.750000 Yb\n0.666667 0.333333 0.250000 Mg\n0.333333 0.666667 0.750000 Mg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Yb",
"Mg"
],
"chemical_system": "Mg-Yb",
"density": 6.425729862303335,
"density_atomic": 0.028483525586713045,
"volume": 280.86410776802956,
"volume_molar": 21.14253989263604,
"formula_full": "Yb6 Mg2",
"formula_reduced": "Yb3Mg",
"formula_anonymous": "AB3",
"energy": -12.43784942,
"energy_per_atom": -1.5547311775,
"energy_above_hull": null,
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"energy_uncorrected": -12.43784942,
"band_gap": 0.0,
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"total_magnetization": 0.0007476,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.594000Z",
"spacegroup": 194
},
{
"id": "mp-1016278",
"created_at": "2022-09-04T14:43:22.890034Z",
"structure_string": "Ba2 Sr2 Mg12\n1.0\n5.385899 0.000000 0.000000\n0.000000 7.274363 0.000000\n0.000000 0.000000 12.831551\nBa Sr Mg\n2 2 12\ndirect\n0.500000 0.500000 0.168100 Ba\n0.500000 0.000000 0.668100 Ba\n0.500000 0.000000 0.168141 Sr\n0.500000 0.500000 0.668141 Sr\n0.500000 0.252314 0.419821 Mg\n0.500000 0.747686 0.419821 Mg\n0.000000 0.755651 0.058190 Mg\n0.000000 0.244349 0.058190 Mg\n0.000000 0.000000 0.353213 Mg\n0.000000 0.500000 0.354520 Mg\n0.500000 0.752314 0.919821 Mg\n0.500000 0.247686 0.919821 Mg\n0.000000 0.255651 0.558190 Mg\n0.000000 0.744349 0.558190 Mg\n0.000000 0.500000 0.853213 Mg\n0.000000 0.000000 0.854520 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"Mg"
],
"chemical_system": "Ba-Mg-Sr",
"density": 2.4493990824557383,
"density_atomic": 0.031826410067638075,
"volume": 502.7271365509495,
"volume_molar": 18.921834876134742,
"formula_full": "Ba2 Sr2 Mg12",
"formula_reduced": "BaSrMg6",
"formula_anonymous": "ABC6",
"energy": -24.87778685,
"energy_per_atom": -1.554861678125,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:14.017000Z",
"spacegroup": 38
},
{
"id": "mp-567526",
"created_at": "2022-09-04T14:41:53.451830Z",
"structure_string": "Sr18 Mg72\n1.0\n5.231610 -9.061415 0.000000\n5.231610 9.061415 0.000000\n0.000000 0.000000 27.916522\nSr Mg\n18 72\ndirect\n0.135659 0.864341 0.061597 Sr\n0.864341 0.135659 0.938403 Sr\n0.940353 0.470176 0.250000 Sr\n0.135659 0.271318 0.061597 Sr\n0.470176 0.529824 0.750000 Sr\n0.864341 0.728682 0.938403 Sr\n0.864341 0.728682 0.561597 Sr\n0.529824 0.470176 0.250000 Sr\n0.728682 0.864341 0.061597 Sr\n0.135659 0.271318 0.438403 Sr\n0.271318 0.135659 0.938403 Sr\n0.728682 0.864341 0.438403 Sr\n0.135659 0.864341 0.438403 Sr\n0.529824 0.059647 0.250000 Sr\n0.864341 0.135659 0.561597 Sr\n0.271318 0.135659 0.561597 Sr\n0.470176 0.940353 0.750000 Sr\n0.059647 0.529824 0.750000 Sr\n0.000000 0.000000 0.341551 Mg\n0.832267 0.664534 0.346608 Mg\n0.233873 0.766127 0.945402 Mg\n0.832267 0.664534 0.153392 Mg\n0.647788 0.823894 0.188078 Mg\n0.333333 0.666667 0.851585 Mg\n0.666667 0.333333 0.351585 Mg\n0.176106 0.823894 0.188078 Mg\n0.000000 0.000000 0.658449 Mg\n0.832267 0.167733 0.346608 Mg\n0.766127 0.233873 0.445402 Mg\n0.511518 0.488482 0.881404 Mg\n0.532255 0.766127 0.554598 Mg\n0.823894 0.176106 0.688078 Mg\n0.766127 0.532255 0.054598 Mg\n0.167733 0.335466 0.653392 Mg\n0.167733 0.335466 0.846608 Mg\n0.335466 0.167733 0.153392 Mg\n0.023037 0.511518 0.381404 Mg\n0.176106 0.352212 0.311922 Mg\n0.532255 0.766127 0.945402 Mg\n0.333333 0.666667 0.648415 Mg\n0.333333 0.666667 0.045967 Mg\n0.000000 0.000000 0.841551 Mg\n0.500000 0.000000 0.500000 Mg\n0.901005 0.802010 0.250000 Mg\n0.335466 0.167733 0.346608 Mg\n0.511518 0.023037 0.618596 Mg\n0.766127 0.532255 0.445402 Mg\n0.511518 0.488482 0.618596 Mg\n0.233873 0.766127 0.554598 Mg\n0.666667 0.333333 0.148415 Mg\n0.766127 0.233873 0.054598 Mg\n0.233873 0.467745 0.945402 Mg\n0.352212 0.176106 0.688078 Mg\n0.000000 0.000000 0.158449 Mg\n0.000000 0.500000 0.500000 Mg\n0.802010 0.901005 0.750000 Mg\n0.666667 0.333333 0.954033 Mg\n0.976963 0.488482 0.881404 Mg\n0.467745 0.233873 0.054598 Mg\n0.976963 0.488482 0.618596 Mg\n0.488482 0.976963 0.381404 Mg\n0.167733 0.832267 0.846608 Mg\n0.488482 0.511518 0.118596 Mg\n0.823894 0.176106 0.811922 Mg\n0.823894 0.647788 0.688078 Mg\n0.176106 0.352212 0.188078 Mg\n0.500000 0.500000 0.500000 Mg\n0.664534 0.832267 0.846608 Mg\n0.488482 0.976963 0.118596 Mg\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.098995 0.901005 0.750000 Mg\n0.333333 0.666667 0.454033 Mg\n0.664534 0.832267 0.653392 Mg\n0.197990 0.098995 0.250000 Mg\n0.901005 0.098995 0.250000 Mg\n0.023037 0.511518 0.118596 Mg\n0.823894 0.647788 0.811922 Mg\n0.167733 0.832267 0.653392 Mg\n0.832267 0.167733 0.153392 Mg\n0.647788 0.823894 0.311922 Mg\n0.500000 0.000000 0.000000 Mg\n0.098995 0.197990 0.750000 Mg\n0.511518 0.023037 0.881404 Mg\n0.176106 0.823894 0.311922 Mg\n0.666667 0.333333 0.545967 Mg\n0.467745 0.233873 0.445402 Mg\n0.488482 0.511518 0.381404 Mg\n0.352212 0.176106 0.811922 Mg\n0.233873 0.467745 0.554598 Mg\n",
"nsites": 90,
"nelements": 2,
"elements": [
"Sr",
"Mg"
],
"chemical_system": "Mg-Sr",
"density": 2.08734806738797,
"density_atomic": 0.034003202448789085,
"volume": 2646.8095214133295,
"volume_molar": 17.710510558732558,
"formula_full": "Sr18 Mg72",
"formula_reduced": "SrMg4",
"formula_anonymous": "AB4",
"energy": -140.00573581,
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"updated_at": "2021-11-28T01:35:32.589000Z",
"spacegroup": 194
},
{
"id": "mp-1095984",
"created_at": "2022-09-04T14:47:25.462043Z",
"structure_string": "Li2 Hg1 As1\n1.0\n-5.284858 5.397598 7.626710\n5.284858 -5.397598 7.626710\n5.284858 5.397598 -7.626710\nLi Hg As\n2 1 1\ndirect\n0.000000 0.227977 0.227977 Li\n0.000000 0.772023 0.772023 Li\n0.000000 0.500000 0.500000 Hg\n0.000000 0.000000 0.000000 As\n",
"nsites": 4,
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"elements": [
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"Hg",
"As"
],
"chemical_system": "As-Hg-Li",
"density": 0.5522133944691093,
"density_atomic": 0.004596517396652318,
"volume": 870.2240533046242,
"volume_molar": 131.01529354345476,
"formula_full": "Li2 Hg1 As1",
"formula_reduced": "Li2HgAs",
"formula_anonymous": "ABC2",
"energy": -6.22249703,
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"updated_at": "2021-11-28T01:38:05.715000Z",
"spacegroup": 71
},
{
"id": "mp-1027888",
"created_at": "2022-09-04T14:42:58.324582Z",
"structure_string": "Mg14 Zn1 Cd1\n1.0\n6.289285 -0.000000 0.000000\n-3.144642 5.446680 -0.000000\n0.000000 0.000000 10.369412\nMg Zn Cd\n14 1 1\ndirect\n0.165166 0.832582 0.125000 Mg\n0.165567 0.832783 0.625000 Mg\n0.667418 0.334834 0.125000 Mg\n0.667217 0.334433 0.625000 Mg\n0.667418 0.832582 0.125000 Mg\n0.667217 0.832783 0.625000 Mg\n0.332115 0.167885 0.373563 Mg\n0.332115 0.167885 0.876437 Mg\n0.332115 0.664232 0.373563 Mg\n0.332115 0.664232 0.876437 Mg\n0.835768 0.167885 0.373563 Mg\n0.835768 0.167885 0.876437 Mg\n0.833333 0.666667 0.374684 Mg\n0.833333 0.666667 0.875316 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Cd\n",
"nsites": 16,
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"elements": [
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"Cd"
],
"chemical_system": "Cd-Mg-Zn",
"density": 2.421960416785957,
"density_atomic": 0.04504356092593549,
"volume": 355.21170331778563,
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"formula_full": "Mg14 Zn1 Cd1",
"formula_reduced": "Mg14ZnCd",
"formula_anonymous": "ABC14",
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{
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"structure_string": "Na2 Ca2 Mg12\n1.0\n5.387808 0.000000 0.000000\n0.000000 6.631141 0.000000\n0.000000 0.000000 11.789207\nNa Ca Mg\n2 2 12\ndirect\n0.500000 0.500000 0.166669 Na\n0.500000 0.000000 0.666669 Na\n0.500000 0.000000 0.167420 Ca\n0.500000 0.500000 0.667420 Ca\n0.500000 0.247151 0.418554 Mg\n0.500000 0.752849 0.418554 Mg\n0.000000 0.747970 0.078259 Mg\n0.000000 0.252030 0.078259 Mg\n0.000000 0.000000 0.336894 Mg\n0.000000 0.500000 0.335387 Mg\n0.500000 0.747151 0.918554 Mg\n0.500000 0.252849 0.918554 Mg\n0.000000 0.247970 0.578259 Mg\n0.000000 0.752030 0.578259 Mg\n0.000000 0.500000 0.836894 Mg\n0.000000 0.000000 0.835387 Mg\n",
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"elements": [
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"density": 1.6471301956188575,
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"formula_full": "Na2 Ca2 Mg12",
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{
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"structure_string": "Rb1 Mg14 Al1\n1.0\n6.521717 -0.054466 0.000000\n-3.308027 5.729671 0.000000\n0.000000 0.000000 10.589058\nRb Mg Al\n1 14 1\ndirect\n0.163774 0.831886 0.125000 Rb\n0.165731 0.332865 0.625000 Mg\n0.169454 0.834727 0.625000 Mg\n0.659604 0.337379 0.125000 Mg\n0.667696 0.330480 0.625000 Mg\n0.659604 0.822224 0.125000 Mg\n0.667696 0.837214 0.625000 Mg\n0.334801 0.179397 0.385609 Mg\n0.334801 0.179397 0.864391 Mg\n0.334801 0.655404 0.385609 Mg\n0.334801 0.655404 0.864391 Mg\n0.836442 0.168222 0.365218 Mg\n0.836442 0.168222 0.884782 Mg\n0.819173 0.659587 0.391586 Mg\n0.819173 0.659587 0.858414 Mg\n0.196010 0.348004 0.125000 Al\n",
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"elements": [
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],
"chemical_system": "Al-Mg-Rb",
"density": 1.9090983297560655,
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"volume": 393.77654688256365,
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"formula_full": "Rb1 Mg14 Al1",
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{
"id": "mp-1186184",
"created_at": "2022-09-04T14:39:35.660995Z",
"structure_string": "Na2 Sr6\n1.0\n4.163237 -7.210939 0.000000\n4.163237 7.210939 0.000000\n0.000000 0.000000 6.800827\nNa Sr\n2 6\ndirect\n0.333333 0.666667 0.750000 Na\n0.666667 0.333333 0.250000 Na\n0.167265 0.832735 0.250000 Sr\n0.832735 0.665471 0.750000 Sr\n0.334529 0.167265 0.750000 Sr\n0.832735 0.167265 0.750000 Sr\n0.167265 0.334529 0.250000 Sr\n0.665471 0.832735 0.250000 Sr\n",
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"nelements": 2,
"elements": [
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],
"chemical_system": "Na-Sr",
"density": 2.32488919866416,
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"volume": 408.33318795645874,
"volume_molar": 30.73799918566664,
"formula_full": "Na2 Sr6",
"formula_reduced": "NaSr3",
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"energy": -12.4478569,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:27.604000Z",
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}