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{
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"results": [
{
"id": "mp-1022677",
"created_at": "2022-09-04T14:40:52.113267Z",
"structure_string": "Sr2 Mg12 Zn2\n1.0\n5.089695 0.000000 0.000000\n0.000000 6.231932 0.000000\n0.000000 0.000000 12.968382\nSr Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.197000 Sr\n0.500000 0.000000 0.697000 Sr\n0.500000 0.242983 0.435602 Mg\n0.500000 0.757017 0.435602 Mg\n0.000000 0.753879 0.073367 Mg\n0.000000 0.246121 0.073367 Mg\n0.000000 0.000000 0.301946 Mg\n0.000000 0.500000 0.363464 Mg\n0.500000 0.742983 0.935602 Mg\n0.500000 0.257017 0.935602 Mg\n0.000000 0.253879 0.573367 Mg\n0.000000 0.746121 0.573367 Mg\n0.000000 0.500000 0.801946 Mg\n0.000000 0.000000 0.863464 Mg\n0.500000 0.000000 0.119647 Zn\n0.500000 0.500000 0.619647 Zn\n",
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"elements": [
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"spacegroup": 38
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{
"id": "mp-1022658",
"created_at": "2022-09-04T14:43:06.726419Z",
"structure_string": "Sr2 Mg12 Zn2\n1.0\n5.123369 0.000000 0.000000\n0.000000 6.760170 0.000000\n0.000000 0.000000 11.684003\nSr Mg Zn\n2 12 2\ndirect\n0.500000 0.500000 0.174424 Sr\n0.500000 0.000000 0.674424 Sr\n0.000000 0.230314 0.072073 Mg\n0.000000 0.769686 0.072073 Mg\n0.000000 0.500000 0.830781 Mg\n0.500000 0.239894 0.920848 Mg\n0.500000 0.760106 0.920848 Mg\n0.500000 0.500000 0.662490 Mg\n0.000000 0.730314 0.572073 Mg\n0.000000 0.269686 0.572073 Mg\n0.000000 0.000000 0.330781 Mg\n0.500000 0.739894 0.420848 Mg\n0.500000 0.260106 0.420848 Mg\n0.500000 0.000000 0.162490 Mg\n0.000000 0.500000 0.346464 Zn\n0.000000 0.000000 0.846464 Zn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sr-Zn",
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"volume": 404.6736377068736,
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"formula_full": "Sr2 Mg12 Zn2",
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"updated_at": "2021-11-28T01:36:02.104000Z",
"spacegroup": 38
},
{
"id": "mp-1022804",
"created_at": "2022-09-04T14:46:11.207558Z",
"structure_string": "Sr1 Y1 Mg6\n1.0\n6.752706 0.000000 0.000000\n0.000000 6.752706 0.000000\n0.000000 0.000000 4.847896\nSr Y Mg\n1 1 6\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Y\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.763129 0.236871 0.000000 Mg\n0.236871 0.763129 0.000000 Mg\n0.763129 0.763129 0.000000 Mg\n0.236871 0.236871 0.000000 Mg\n",
"nsites": 8,
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"elements": [
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"density": 2.421450945762141,
"density_atomic": 0.036189368845278486,
"volume": 221.05939548718422,
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"formula_full": "Sr1 Y1 Mg6",
"formula_reduced": "SrYMg6",
"formula_anonymous": "ABC6",
"energy": -17.85489939,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:20.916000Z",
"spacegroup": 123
},
{
"id": "mp-1028058",
"created_at": "2022-09-04T14:44:10.220393Z",
"structure_string": "Sr1 Y1 Mg14\n1.0\n6.642857 -0.004093 0.000000\n-3.324973 5.759022 0.000000\n0.000000 0.000000 10.585841\nSr Y Mg\n1 1 14\ndirect\n0.169540 0.834769 0.125000 Sr\n0.175330 0.337665 0.125000 Y\n0.164489 0.332244 0.625000 Mg\n0.165730 0.832865 0.625000 Mg\n0.663502 0.331354 0.125000 Mg\n0.667792 0.333405 0.625000 Mg\n0.663502 0.832147 0.125000 Mg\n0.667792 0.834386 0.625000 Mg\n0.338613 0.174848 0.386878 Mg\n0.338613 0.174848 0.863122 Mg\n0.338613 0.663766 0.386878 Mg\n0.338613 0.663766 0.863122 Mg\n0.831023 0.165512 0.376112 Mg\n0.831023 0.165512 0.873888 Mg\n0.822913 0.661457 0.383068 Mg\n0.822913 0.661457 0.866932 Mg\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Sr-Y",
"density": 2.1197938526943236,
"density_atomic": 0.03952259900699891,
"volume": 404.83167610426176,
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"formula_full": "Sr1 Y1 Mg14",
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"formula_anonymous": "ABC14",
"energy": -29.88981865,
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"total_magnetization": 6e-07,
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"updated_at": "2021-11-28T01:36:35.403000Z",
"spacegroup": 38
},
{
"id": "mp-1028049",
"created_at": "2022-09-04T14:39:48.979087Z",
"structure_string": "Sr1 Y1 Mg14\n1.0\n6.691695 0.000000 0.000000\n-3.345848 5.795177 0.000000\n0.000000 0.000000 10.546907\nSr Y Mg\n1 1 14\ndirect\n0.166667 0.333333 0.625000 Sr\n0.166667 0.333333 0.125000 Y\n0.172687 0.836343 0.125000 Mg\n0.174967 0.837483 0.625000 Mg\n0.663657 0.327313 0.125000 Mg\n0.662517 0.325033 0.625000 Mg\n0.663657 0.836343 0.125000 Mg\n0.662517 0.837483 0.625000 Mg\n0.339312 0.160688 0.370122 Mg\n0.339312 0.160688 0.879878 Mg\n0.339312 0.678624 0.370122 Mg\n0.339312 0.678624 0.879878 Mg\n0.821376 0.160688 0.370122 Mg\n0.821376 0.160688 0.879878 Mg\n0.833333 0.666667 0.375853 Mg\n0.833333 0.666667 0.874147 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sr-Y",
"density": 2.098167498599843,
"density_atomic": 0.03911938540216033,
"volume": 409.0043807057463,
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"formula_full": "Sr1 Y1 Mg14",
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"formula_anonymous": "ABC14",
"energy": -30.08256503,
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"updated_at": "2021-11-28T01:34:33.248000Z",
"spacegroup": 187
},
{
"id": "mp-1022805",
"created_at": "2022-09-04T14:42:42.644847Z",
"structure_string": "Sr2 Y2 Mg12\n1.0\n5.260137 0.000000 0.000000\n0.000000 7.092707 0.000000\n0.000000 0.000000 11.687866\nSr Y Mg\n2 2 12\ndirect\n0.000000 0.000000 0.598122 Sr\n0.000000 0.500000 0.098122 Sr\n0.500000 0.000000 0.903933 Y\n0.500000 0.500000 0.403933 Y\n0.500000 0.722041 0.664156 Mg\n0.500000 0.277959 0.664156 Mg\n0.500000 0.000000 0.405816 Mg\n0.000000 0.768881 0.340366 Mg\n0.000000 0.231119 0.340366 Mg\n0.000000 0.000000 0.083084 Mg\n0.500000 0.222041 0.164156 Mg\n0.500000 0.777959 0.164156 Mg\n0.500000 0.500000 0.905816 Mg\n0.000000 0.268881 0.840366 Mg\n0.000000 0.731119 0.840366 Mg\n0.000000 0.500000 0.583084 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "Mg-Sr-Y",
"density": 2.455106580600392,
"density_atomic": 0.036692363211121445,
"volume": 436.05804041399017,
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"formula_full": "Sr2 Y2 Mg12",
"formula_reduced": "SrYMg6",
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"updated_at": "2021-11-28T01:36:00.973000Z",
"spacegroup": 38
},
{
"id": "mp-1026558",
"created_at": "2022-09-04T14:46:33.729388Z",
"structure_string": "Sr1 Mg14 W1\n1.0\n6.465643 -0.000000 0.000000\n-3.232822 5.599411 -0.000000\n0.000000 -0.000000 10.311869\nSr Mg W\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.178587 0.839293 0.125000 Mg\n0.160604 0.830302 0.625000 Mg\n0.660707 0.321413 0.125000 Mg\n0.669698 0.339396 0.625000 Mg\n0.660707 0.839293 0.125000 Mg\n0.669698 0.830302 0.625000 Mg\n0.330933 0.169067 0.398186 Mg\n0.330933 0.169067 0.851814 Mg\n0.330933 0.661868 0.398186 Mg\n0.330933 0.661868 0.851814 Mg\n0.838132 0.169067 0.398186 Mg\n0.838132 0.169067 0.851814 Mg\n0.833333 0.666667 0.367076 Mg\n0.833333 0.666667 0.882924 Mg\n0.166667 0.333333 0.625000 W\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sr-W",
"density": 2.7209303324406156,
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"volume": 373.3287659372249,
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"formula_full": "Sr1 Mg14 W1",
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"spacegroup": 187
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{
"id": "mp-1016330",
"created_at": "2022-09-04T14:40:26.665487Z",
"structure_string": "Sr1 Mg6 W1\n1.0\n6.489602 0.000000 0.000000\n0.000000 6.489602 0.000000\n0.000000 0.000000 4.416497\nSr Mg W\n1 6 1\ndirect\n0.500000 0.500000 0.500000 Sr\n0.500000 0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.217396 0.782604 0.000000 Mg\n0.782604 0.217396 0.000000 Mg\n0.217396 0.217396 0.000000 Mg\n0.782604 0.782604 0.000000 Mg\n0.000000 0.000000 0.500000 W\n",
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"formula_full": "Sr1 Mg6 W1",
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{
"id": "mp-1026570",
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"structure_string": "Sr1 Mg14 W1\n1.0\n6.490436 -0.006891 0.000000\n-3.251186 5.631219 0.000000\n0.000000 0.000000 10.270449\nSr Mg W\n1 14 1\ndirect\n0.154164 0.327082 0.125000 Sr\n0.171479 0.335739 0.625000 Mg\n0.163729 0.831864 0.625000 Mg\n0.653765 0.319679 0.125000 Mg\n0.664616 0.339215 0.625000 Mg\n0.653765 0.834085 0.125000 Mg\n0.664616 0.825400 0.625000 Mg\n0.333106 0.151070 0.375712 Mg\n0.333106 0.151070 0.874288 Mg\n0.333106 0.682037 0.375712 Mg\n0.333106 0.682037 0.874288 Mg\n0.823448 0.161724 0.391814 Mg\n0.823448 0.161724 0.858186 Mg\n0.850120 0.675060 0.355773 Mg\n0.850120 0.675060 0.894227 Mg\n0.194308 0.847154 0.125000 W\n",
"nsites": 16,
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"elements": [
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"formula_full": "Sr1 Mg14 W1",
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"spacegroup": 38
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{
"id": "mp-1016318",
"created_at": "2022-09-04T14:45:06.920841Z",
"structure_string": "Sr2 Mg12 W2\n1.0\n5.130182 0.000000 0.000000\n0.000000 6.473200 0.000000\n0.000000 0.000000 11.315230\nSr Mg W\n2 12 2\ndirect\n0.000000 0.500000 0.330260 Sr\n0.000000 0.000000 0.830260 Sr\n0.000000 0.271461 0.086957 Mg\n0.000000 0.728539 0.086957 Mg\n0.000000 0.000000 0.332496 Mg\n0.500000 0.764750 0.423350 Mg\n0.500000 0.235250 0.423350 Mg\n0.500000 0.000000 0.163905 Mg\n0.000000 0.771461 0.586957 Mg\n0.000000 0.228539 0.586957 Mg\n0.000000 0.500000 0.832496 Mg\n0.500000 0.264750 0.923350 Mg\n0.500000 0.735250 0.923350 Mg\n0.500000 0.500000 0.663905 Mg\n0.500000 0.500000 0.152725 W\n0.500000 0.000000 0.652725 W\n",
"nsites": 16,
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"elements": [
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"density": 3.688093191380255,
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},
{
"id": "mp-1028294",
"created_at": "2022-09-04T14:41:46.469703Z",
"structure_string": "Sr1 Mg14 V1\n1.0\n6.526135 0.000000 0.000000\n-3.263067 5.651798 -0.000000\n0.000000 0.000000 10.370316\nSr Mg V\n1 14 1\ndirect\n0.166667 0.333333 0.625000 Sr\n0.164745 0.832372 0.125000 Mg\n0.178069 0.839034 0.625000 Mg\n0.667628 0.335255 0.125000 Mg\n0.660966 0.321931 0.625000 Mg\n0.667628 0.832372 0.125000 Mg\n0.660966 0.839034 0.625000 Mg\n0.334535 0.165465 0.358776 Mg\n0.334535 0.165465 0.891224 Mg\n0.334535 0.669071 0.358776 Mg\n0.334535 0.669071 0.891224 Mg\n0.830929 0.165465 0.358776 Mg\n0.830929 0.165465 0.891224 Mg\n0.833333 0.666667 0.381950 Mg\n0.833333 0.666667 0.868050 Mg\n0.166667 0.333333 0.125000 V\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sr-V",
"density": 2.078725459831524,
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"volume": 382.50284967074026,
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"formula_full": "Sr1 Mg14 V1",
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"updated_at": "2021-11-28T01:35:22.557000Z",
"spacegroup": 187
},
{
"id": "mp-1028309",
"created_at": "2022-09-04T14:48:24.900120Z",
"structure_string": "Sr1 Mg14 V1\n1.0\n6.540842 0.024749 0.000000\n-3.248988 5.627411 0.000000\n0.000000 0.000000 10.431569\nSr Mg V\n1 14 1\ndirect\n0.164353 0.832176 0.125000 Sr\n0.165309 0.332654 0.625000 Mg\n0.167960 0.833980 0.625000 Mg\n0.660217 0.336228 0.125000 Mg\n0.666127 0.330694 0.625000 Mg\n0.660217 0.823988 0.125000 Mg\n0.666127 0.835433 0.625000 Mg\n0.336208 0.178990 0.381483 Mg\n0.336208 0.178990 0.868517 Mg\n0.336208 0.657218 0.381483 Mg\n0.336208 0.657218 0.868517 Mg\n0.840898 0.170449 0.365052 Mg\n0.840898 0.170449 0.884948 Mg\n0.825408 0.662704 0.387741 Mg\n0.825408 0.662704 0.862259 Mg\n0.172248 0.336123 0.125000 V\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Sr-V",
"density": 2.0662942877603916,
"density_atomic": 0.041579603870763676,
"volume": 384.80405079689217,
"volume_molar": 14.483400993231717,
"formula_full": "Sr1 Mg14 V1",
"formula_reduced": "SrMg14V",
"formula_anonymous": "ABC14",
"energy": -31.12376344,
"energy_per_atom": -1.945235215,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.12376344,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4298302,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:38.771000Z",
"spacegroup": 38
}
]
}