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{
"id": "mp-1026602",
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"structure_string": "Mg14 Sn1 W1\n1.0\n6.262486 0.036221 0.000000\n-3.099874 5.369140 0.000000\n0.000000 0.000000 10.257211\nMg Sn W\n14 1 1\ndirect\n0.168206 0.334103 0.625000 Mg\n0.165169 0.832584 0.625000 Mg\n0.668390 0.333640 0.125000 Mg\n0.664534 0.334553 0.625000 Mg\n0.668390 0.834749 0.125000 Mg\n0.664534 0.829980 0.625000 Mg\n0.330834 0.158314 0.366853 Mg\n0.330834 0.158314 0.883147 Mg\n0.330834 0.672521 0.366853 Mg\n0.330834 0.672521 0.883147 Mg\n0.831634 0.165817 0.381708 Mg\n0.831634 0.165817 0.868292 Mg\n0.844263 0.672132 0.367166 Mg\n0.844263 0.672132 0.882834 Mg\n0.158926 0.329463 0.125000 Sn\n0.166721 0.833360 0.125000 W\n",
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{
"id": "mp-1021709",
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"formula_full": "Mg12 V2 Sn2",
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"updated_at": "2021-11-28T01:34:52.429000Z",
"spacegroup": 38
},
{
"id": "mp-1021712",
"created_at": "2022-09-04T14:39:15.301994Z",
"structure_string": "Mg12 V2 Sn2\n1.0\n5.025876 0.000000 0.000000\n0.000000 6.366635 0.000000\n0.000000 0.000000 10.797239\nMg V Sn\n12 2 2\ndirect\n0.000000 0.247575 0.082148 Mg\n0.000000 0.752425 0.082148 Mg\n0.000000 0.500000 0.834295 Mg\n0.500000 0.244639 0.914699 Mg\n0.500000 0.755361 0.914699 Mg\n0.500000 0.500000 0.667231 Mg\n0.000000 0.747575 0.582148 Mg\n0.000000 0.252425 0.582148 Mg\n0.000000 0.000000 0.334295 Mg\n0.500000 0.744639 0.414699 Mg\n0.500000 0.255361 0.414699 Mg\n0.500000 0.000000 0.167231 Mg\n0.000000 0.500000 0.332276 V\n0.000000 0.000000 0.832276 V\n0.500000 0.500000 0.172503 Sn\n0.500000 0.000000 0.672503 Sn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sn-V",
"density": 3.0326239029340814,
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"formula_full": "Mg12 V2 Sn2",
"formula_reduced": "Mg6VSn",
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"updated_at": "2021-11-28T01:34:43.443000Z",
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},
{
"id": "mp-1028321",
"created_at": "2022-09-04T14:40:34.346387Z",
"structure_string": "Mg14 V1 Sn1\n1.0\n6.290653 0.000000 -0.000000\n-3.145327 5.447865 -0.000000\n-0.000000 0.000000 10.380946\nMg V Sn\n14 1 1\ndirect\n0.167135 0.833567 0.125000 Mg\n0.165424 0.832712 0.625000 Mg\n0.666433 0.332865 0.125000 Mg\n0.667288 0.334576 0.625000 Mg\n0.666433 0.833567 0.125000 Mg\n0.667288 0.832712 0.625000 Mg\n0.331400 0.168600 0.369937 Mg\n0.331400 0.168600 0.880063 Mg\n0.331400 0.662801 0.369937 Mg\n0.331400 0.662801 0.880063 Mg\n0.837199 0.168600 0.369937 Mg\n0.837199 0.168600 0.880063 Mg\n0.833333 0.666667 0.374164 Mg\n0.833333 0.666667 0.875836 Mg\n0.166667 0.333333 0.125000 V\n0.166667 0.333333 0.625000 Sn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sn-V",
"density": 2.3800902348690403,
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"formula_full": "Mg14 V1 Sn1",
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"spacegroup": 187
},
{
"id": "mp-1028328",
"created_at": "2022-09-04T14:43:40.719060Z",
"structure_string": "Mg14 V1 Sn1\n1.0\n6.322630 0.048044 0.000000\n-3.119708 5.403492 0.000000\n0.000000 0.000000 10.344651\nMg V Sn\n14 1 1\ndirect\n0.166519 0.333259 0.625000 Mg\n0.166565 0.833282 0.625000 Mg\n0.667327 0.332946 0.125000 Mg\n0.666408 0.333283 0.625000 Mg\n0.667327 0.834381 0.125000 Mg\n0.666408 0.833123 0.625000 Mg\n0.332216 0.169348 0.373452 Mg\n0.332216 0.169348 0.876548 Mg\n0.332216 0.662869 0.373452 Mg\n0.332216 0.662869 0.876548 Mg\n0.837090 0.168545 0.373886 Mg\n0.837090 0.168545 0.876114 Mg\n0.832544 0.666273 0.376855 Mg\n0.832544 0.666273 0.873145 Mg\n0.165615 0.332807 0.125000 V\n0.165700 0.832850 0.125000 Sn\n",
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"elements": [
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],
"chemical_system": "Mg-Sn-V",
"density": 2.3854106658232235,
"density_atomic": 0.04507447928344142,
"volume": 354.96804964484124,
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"formula_full": "Mg14 V1 Sn1",
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"spacegroup": 38
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{
"id": "mp-1072345",
"created_at": "2022-09-04T14:40:38.847457Z",
"structure_string": "Tm2 Mg2 Sn2\n1.0\n-2.183803 2.183803 7.896701\n2.183803 -2.183803 7.896701\n2.183803 2.183803 -7.896701\nTm Mg Sn\n2 2 2\ndirect\n0.668121 0.668121 0.000000 Tm\n0.331879 0.331879 0.000000 Tm\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.863294 0.863294 0.000000 Sn\n0.136706 0.136706 0.000000 Sn\n",
"nsites": 6,
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"elements": [
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],
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"formula_full": "Tm2 Mg2 Sn2",
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"updated_at": "2021-11-28T01:35:02.292000Z",
"spacegroup": 139
},
{
"id": "mp-1021702",
"created_at": "2022-09-04T14:41:18.480784Z",
"structure_string": "Mg12 Ti2 Sn2\n1.0\n5.113513 0.000000 0.000000\n0.000000 6.094478 0.000000\n0.000000 0.000000 11.169369\nMg Ti Sn\n12 2 2\ndirect\n0.500000 0.251083 0.417559 Mg\n0.500000 0.748917 0.417559 Mg\n0.000000 0.740674 0.082313 Mg\n0.000000 0.259326 0.082313 Mg\n0.000000 0.000000 0.335319 Mg\n0.000000 0.500000 0.328639 Mg\n0.500000 0.751083 0.917559 Mg\n0.500000 0.248917 0.917559 Mg\n0.000000 0.240674 0.582313 Mg\n0.000000 0.759326 0.582313 Mg\n0.000000 0.500000 0.835319 Mg\n0.000000 0.000000 0.828639 Mg\n0.500000 0.500000 0.169110 Ti\n0.500000 0.000000 0.669110 Ti\n0.500000 0.000000 0.167185 Sn\n0.500000 0.500000 0.667185 Sn\n",
"nsites": 16,
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"elements": [
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"density": 2.9806798565555037,
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"formula_full": "Mg12 Ti2 Sn2",
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"spacegroup": 38
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{
"id": "mp-1021677",
"created_at": "2022-09-04T14:41:09.638715Z",
"structure_string": "Mg12 Ti2 Sn2\n1.0\n5.006928 0.000000 0.000000\n0.000000 6.396889 0.000000\n0.000000 0.000000 10.879302\nMg Ti Sn\n12 2 2\ndirect\n0.000000 0.253901 0.084176 Mg\n0.000000 0.746099 0.084176 Mg\n0.000000 0.500000 0.833239 Mg\n0.500000 0.253534 0.918838 Mg\n0.500000 0.746466 0.918838 Mg\n0.500000 0.500000 0.665213 Mg\n0.000000 0.753901 0.584176 Mg\n0.000000 0.246099 0.584176 Mg\n0.000000 0.000000 0.333239 Mg\n0.500000 0.753534 0.418838 Mg\n0.500000 0.246466 0.418838 Mg\n0.500000 0.000000 0.165213 Mg\n0.500000 0.500000 0.168951 Ti\n0.500000 0.000000 0.668951 Ti\n0.000000 0.500000 0.326569 Sn\n0.000000 0.000000 0.826569 Sn\n",
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"formula_full": "Mg12 Ti2 Sn2",
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{
"id": "mp-1028291",
"created_at": "2022-09-04T14:44:15.337488Z",
"structure_string": "Mg14 Ti1 Sn1\n1.0\n6.357657 0.054030 0.000000\n-3.132037 5.424847 0.000000\n0.000000 0.000000 10.261294\nMg Ti Sn\n14 1 1\ndirect\n0.166130 0.333065 0.625000 Mg\n0.166478 0.833239 0.625000 Mg\n0.667305 0.335225 0.125000 Mg\n0.666402 0.332860 0.625000 Mg\n0.667305 0.832079 0.125000 Mg\n0.666402 0.833541 0.625000 Mg\n0.332341 0.162185 0.373594 Mg\n0.332341 0.162185 0.876406 Mg\n0.332341 0.670156 0.373594 Mg\n0.332341 0.670156 0.876406 Mg\n0.832013 0.166007 0.375790 Mg\n0.832013 0.166007 0.874210 Mg\n0.837887 0.668944 0.373254 Mg\n0.837887 0.668944 0.876746 Mg\n0.164922 0.832460 0.125000 Ti\n0.165892 0.332946 0.125000 Sn\n",
"nsites": 16,
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"density": 2.3665385155597805,
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"volume": 355.64147329752166,
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"formula_full": "Mg14 Ti1 Sn1",
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{
"id": "mp-1028272",
"created_at": "2022-09-04T14:45:33.312212Z",
"structure_string": "Mg14 Ti1 Sn1\n1.0\n6.314215 0.000000 -0.000000\n-3.157107 5.468270 -0.000000\n-0.000000 0.000000 10.387815\nMg Ti Sn\n14 1 1\ndirect\n0.165339 0.832669 0.125000 Mg\n0.168600 0.834300 0.625000 Mg\n0.667331 0.334661 0.125000 Mg\n0.665700 0.331400 0.625000 Mg\n0.667331 0.832669 0.125000 Mg\n0.665700 0.834300 0.625000 Mg\n0.331113 0.168887 0.378654 Mg\n0.331113 0.168887 0.871346 Mg\n0.331113 0.662228 0.378654 Mg\n0.331113 0.662228 0.871346 Mg\n0.837772 0.168887 0.378654 Mg\n0.837772 0.168887 0.871346 Mg\n0.833333 0.666667 0.377365 Mg\n0.833333 0.666667 0.872635 Mg\n0.166667 0.333333 0.625000 Ti\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Sn-Ti",
"density": 2.3465642805970393,
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"volume": 358.66873592521864,
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"formula_full": "Mg14 Ti1 Sn1",
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{
"id": "mp-1071468",
"created_at": "2022-09-04T14:48:21.207818Z",
"structure_string": "Tb2 Mg2 Sn2\n1.0\n-2.208743 2.208743 7.984245\n2.208743 -2.208743 7.984245\n2.208743 2.208743 -7.984245\nTb Mg Sn\n2 2 2\ndirect\n0.666628 0.666628 0.000000 Tb\n0.333372 0.333372 0.000000 Tb\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.864245 0.864245 0.000000 Sn\n0.135755 0.135755 0.000000 Sn\n",
"nsites": 6,
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"density": 6.435999899659568,
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{
"id": "mp-1028280",
"created_at": "2022-09-04T14:40:32.575163Z",
"structure_string": "Sr1 Mg14 Sn1\n1.0\n6.520139 0.000000 0.000000\n-3.260069 5.646605 0.000000\n0.000000 0.000000 10.660389\nSr Mg Sn\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.162110 0.831054 0.125000 Mg\n0.174891 0.837445 0.625000 Mg\n0.668946 0.337890 0.125000 Mg\n0.662555 0.325109 0.625000 Mg\n0.668946 0.831054 0.125000 Mg\n0.662555 0.837445 0.625000 Mg\n0.336542 0.163458 0.367904 Mg\n0.336542 0.163458 0.882096 Mg\n0.336542 0.673085 0.367904 Mg\n0.336542 0.673085 0.882096 Mg\n0.826915 0.163458 0.367904 Mg\n0.826915 0.163458 0.882096 Mg\n0.833333 0.666667 0.381904 Mg\n0.833333 0.666667 0.868096 Mg\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Sn-Sr",
"density": 2.3126047301769135,
"density_atomic": 0.04076642872207832,
"volume": 392.4798051131397,
"volume_molar": 14.772303949054344,
"formula_full": "Sr1 Mg14 Sn1",
"formula_reduced": "SrMg14Sn",
"formula_anonymous": "ABC14",
"energy": -27.85901336,
"energy_per_atom": -1.741188335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.85901336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.07e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.326000Z",
"spacegroup": 187
}
]
}