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{
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"results": [
{
"id": "mp-1022635",
"created_at": "2022-09-04T14:40:16.672868Z",
"structure_string": "Y2 Mg12 Si2\n1.0\n4.950378 0.000000 0.000000\n0.000000 6.554297 0.000000\n0.000000 0.000000 11.165164\nY Mg Si\n2 12 2\ndirect\n0.000000 0.500000 0.322292 Y\n0.000000 0.000000 0.822292 Y\n0.000000 0.253114 0.080475 Mg\n0.000000 0.746886 0.080475 Mg\n0.000000 0.500000 0.834777 Mg\n0.500000 0.262266 0.921051 Mg\n0.500000 0.737734 0.921051 Mg\n0.500000 0.500000 0.668051 Mg\n0.000000 0.753114 0.580475 Mg\n0.000000 0.246886 0.580475 Mg\n0.000000 0.000000 0.334777 Mg\n0.500000 0.762266 0.421051 Mg\n0.500000 0.237734 0.421051 Mg\n0.500000 0.000000 0.168051 Mg\n0.500000 0.500000 0.171828 Si\n0.500000 0.000000 0.671828 Si\n",
"nsites": 16,
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"formula_full": "Y2 Mg12 Si2",
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"spacegroup": 38
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{
"id": "mp-1028048",
"created_at": "2022-09-04T14:43:49.636408Z",
"structure_string": "Y1 Mg14 Si1\n1.0\n6.436221 0.124246 0.000000\n-3.110510 5.387561 0.000000\n0.000000 0.000000 10.314411\nY Mg Si\n1 14 1\ndirect\n0.157536 0.328767 0.125000 Y\n0.166123 0.333061 0.625000 Mg\n0.162179 0.831089 0.625000 Mg\n0.658636 0.324317 0.125000 Mg\n0.664997 0.335273 0.625000 Mg\n0.658636 0.834318 0.125000 Mg\n0.664997 0.829724 0.625000 Mg\n0.335057 0.163648 0.377056 Mg\n0.335057 0.163648 0.872944 Mg\n0.335057 0.671410 0.377056 Mg\n0.335057 0.671410 0.872944 Mg\n0.832923 0.166462 0.382046 Mg\n0.832923 0.166462 0.867954 Mg\n0.840982 0.670491 0.366977 Mg\n0.840982 0.670491 0.883023 Mg\n0.178859 0.839429 0.125000 Si\n",
"nsites": 16,
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"elements": [
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],
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"formula_full": "Y1 Mg14 Si1",
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"total_magnetization": 1.7e-06,
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"updated_at": "2021-11-28T01:36:21.141000Z",
"spacegroup": 38
},
{
"id": "mp-1028034",
"created_at": "2022-09-04T14:39:40.701387Z",
"structure_string": "Y1 Mg14 Si1\n1.0\n6.397915 0.000000 -0.000000\n-3.198957 5.540756 -0.000000\n0.000000 0.000000 10.318315\nY Mg Si\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Y\n0.178116 0.839057 0.125000 Mg\n0.160947 0.830473 0.625000 Mg\n0.660943 0.321885 0.125000 Mg\n0.669527 0.339053 0.625000 Mg\n0.660943 0.839057 0.125000 Mg\n0.669527 0.830473 0.625000 Mg\n0.329898 0.170102 0.384371 Mg\n0.329898 0.170102 0.865629 Mg\n0.329898 0.659798 0.384371 Mg\n0.329898 0.659798 0.865629 Mg\n0.840202 0.170102 0.384371 Mg\n0.840202 0.170102 0.865629 Mg\n0.833333 0.666667 0.365580 Mg\n0.833333 0.666667 0.884420 Mg\n0.166667 0.333333 0.625000 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Y",
"density": 2.0758564525219723,
"density_atomic": 0.04374251096082952,
"volume": 365.7768986862153,
"volume_molar": 13.767249816529048,
"formula_full": "Y1 Mg14 Si1",
"formula_reduced": "YMg14Si",
"formula_anonymous": "ABC14",
"energy": -33.88680713,
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"updated_at": "2021-11-28T01:34:24.008000Z",
"spacegroup": 187
},
{
"id": "mp-1215837",
"created_at": "2022-09-04T14:39:27.084401Z",
"structure_string": "Yb14 Mg6 Si16\n1.0\n7.103898 0.000000 0.000000\n0.000000 7.746191 0.000000\n0.000000 0.138748 15.077478\nYb Mg Si\n14 6 16\ndirect\n0.513738 0.568913 0.342162 Yb\n0.013738 0.431087 0.657838 Yb\n0.485199 0.929799 0.848474 Yb\n0.985199 0.070201 0.151526 Yb\n0.486228 0.920999 0.151061 Yb\n0.986228 0.079001 0.848939 Yb\n0.517089 0.567456 0.652740 Yb\n0.017089 0.432544 0.347260 Yb\n0.175547 0.935172 0.376222 Yb\n0.675547 0.064828 0.623778 Yb\n0.174748 0.930348 0.626207 Yb\n0.674748 0.069652 0.373793 Yb\n0.829900 0.562277 0.122662 Yb\n0.329900 0.437723 0.877338 Yb\n0.651734 0.230436 0.000320 Mg\n0.151734 0.769564 0.999680 Mg\n0.347574 0.279277 0.503458 Mg\n0.847574 0.720723 0.496542 Mg\n0.821496 0.561911 0.877996 Mg\n0.321496 0.438089 0.122004 Mg\n0.533732 0.658839 0.996357 Si\n0.033732 0.341161 0.003643 Si\n0.476707 0.831608 0.498641 Si\n0.976707 0.168392 0.501359 Si\n0.659021 0.280819 0.785893 Si\n0.159021 0.719181 0.214107 Si\n0.339273 0.226725 0.272325 Si\n0.839273 0.773275 0.727675 Si\n0.357102 0.221890 0.720576 Si\n0.857102 0.778110 0.279424 Si\n0.631644 0.273265 0.205800 Si\n0.131644 0.726735 0.794200 Si\n0.769927 0.873432 0.001345 Si\n0.269927 0.126568 0.998655 Si\n0.229344 0.622507 0.501024 Si\n0.729344 0.377493 0.498976 Si\n",
"nsites": 36,
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"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Yb",
"density": 6.039762836876233,
"density_atomic": 0.04338992295065353,
"volume": 829.6857323517735,
"volume_molar": 13.879122963294625,
"formula_full": "Yb14 Mg6 Si16",
"formula_reduced": "Yb7Mg3Si8",
"formula_anonymous": "A3B7C8",
"energy": -130.94718912,
"energy_per_atom": -3.6374219199999995,
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"updated_at": "2021-11-28T01:34:36.072000Z",
"spacegroup": 4
},
{
"id": "mp-13357",
"created_at": "2022-09-04T14:46:59.246807Z",
"structure_string": "Yb4 Mg2 Si4\n1.0\n7.183985 0.000000 0.000000\n0.000000 7.183985 0.000000\n0.000000 0.000000 4.504667\nYb Mg Si\n4 2 4\ndirect\n0.326156 0.826156 0.500000 Yb\n0.826156 0.673844 0.500000 Yb\n0.173844 0.326156 0.500000 Yb\n0.673844 0.173844 0.500000 Yb\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.881908 0.381908 0.000000 Si\n0.381908 0.118092 0.000000 Si\n0.118092 0.618092 0.000000 Si\n0.618092 0.881908 0.000000 Si\n",
"nsites": 10,
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],
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"density": 6.0934271400924045,
"density_atomic": 0.04301366756196357,
"volume": 232.4842443531337,
"volume_molar": 14.000528439768065,
"formula_full": "Yb4 Mg2 Si4",
"formula_reduced": "Yb2MgSi2",
"formula_anonymous": "AB2C2",
"energy": -34.86114114,
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"updated_at": "2021-11-28T01:37:41.881000Z",
"spacegroup": 127
},
{
"id": "mp-864619",
"created_at": "2022-09-04T14:43:13.738179Z",
"structure_string": "Yb4 Mg4 Si4\n1.0\n4.415976 0.000000 0.000000\n0.000000 7.448676 0.000000\n0.000000 0.000000 8.254500\nYb Mg Si\n4 4 4\ndirect\n0.250000 0.481352 0.180877 Yb\n0.250000 0.981352 0.319123 Yb\n0.750000 0.018648 0.680877 Yb\n0.750000 0.518648 0.819123 Yb\n0.750000 0.144798 0.064454 Mg\n0.750000 0.644798 0.435546 Mg\n0.250000 0.355202 0.564454 Mg\n0.250000 0.855202 0.935546 Mg\n0.750000 0.770144 0.114696 Si\n0.750000 0.270144 0.385304 Si\n0.250000 0.729856 0.614696 Si\n0.250000 0.229856 0.885304 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Mg",
"Si"
],
"chemical_system": "Mg-Si-Yb",
"density": 5.514742045156951,
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"volume": 271.516708479167,
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"formula_full": "Yb4 Mg4 Si4",
"formula_reduced": "YbMgSi",
"formula_anonymous": "ABC",
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"updated_at": "2021-11-28T01:36:08.224000Z",
"spacegroup": 62
},
{
"id": "mp-1027962",
"created_at": "2022-09-04T14:45:14.018898Z",
"structure_string": "Mg14 Zn1 Si1\n1.0\n6.232326 -0.000000 0.000000\n-3.116163 5.397352 -0.000000\n-0.000000 0.000000 10.253091\nMg Zn Si\n14 1 1\ndirect\n0.166756 0.833378 0.125000 Mg\n0.165975 0.832987 0.625000 Mg\n0.666622 0.333244 0.125000 Mg\n0.667013 0.334025 0.625000 Mg\n0.666622 0.833378 0.125000 Mg\n0.667013 0.832987 0.625000 Mg\n0.331128 0.168872 0.374533 Mg\n0.331128 0.168872 0.875467 Mg\n0.331128 0.662257 0.374533 Mg\n0.331128 0.662257 0.875467 Mg\n0.837743 0.168872 0.374533 Mg\n0.837743 0.168872 0.875467 Mg\n0.833333 0.666667 0.373632 Mg\n0.833333 0.666667 0.876368 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Si\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Si-Zn",
"density": 2.0884178020717403,
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"updated_at": "2021-11-28T01:36:56.186000Z",
"spacegroup": 187
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{
"id": "mp-1022647",
"created_at": "2022-09-04T14:42:49.709843Z",
"structure_string": "Mg12 Zn2 Si2\n1.0\n4.978844 0.000000 0.000000\n0.000000 6.096157 0.000000\n0.000000 0.000000 10.701279\nMg Zn Si\n12 2 2\ndirect\n0.000000 0.256969 0.089233 Mg\n0.000000 0.743031 0.089233 Mg\n0.000000 0.000000 0.333703 Mg\n0.500000 0.743674 0.409483 Mg\n0.500000 0.256326 0.409483 Mg\n0.500000 0.000000 0.164264 Mg\n0.000000 0.756969 0.589233 Mg\n0.000000 0.243031 0.589233 Mg\n0.000000 0.500000 0.833703 Mg\n0.500000 0.243674 0.909483 Mg\n0.500000 0.756326 0.909483 Mg\n0.500000 0.500000 0.664264 Mg\n0.000000 0.500000 0.346321 Zn\n0.000000 0.000000 0.846321 Zn\n0.500000 0.500000 0.158280 Si\n0.500000 0.000000 0.658280 Si\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Si-Zn",
"density": 2.4470672470073294,
"density_atomic": 0.049260592762567904,
"volume": 324.8032372878401,
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"formula_full": "Mg12 Zn2 Si2",
"formula_reduced": "Mg6ZnSi",
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"spacegroup": 38
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{
"id": "mp-1022604",
"created_at": "2022-09-04T14:40:01.110989Z",
"structure_string": "Mg12 Zn2 Si2\n1.0\n4.823345 0.000000 0.000000\n0.000000 6.444737 0.000000\n0.000000 0.000000 10.409993\nMg Zn Si\n12 2 2\ndirect\n0.500000 0.249188 0.584933 Mg\n0.500000 0.750812 0.584933 Mg\n0.000000 0.251367 0.412062 Mg\n0.000000 0.748633 0.412062 Mg\n0.000000 0.000000 0.669055 Mg\n0.000000 0.000000 0.169144 Mg\n0.500000 0.749188 0.084933 Mg\n0.500000 0.250812 0.084933 Mg\n0.000000 0.751367 0.912062 Mg\n0.000000 0.248633 0.912062 Mg\n0.000000 0.500000 0.169055 Mg\n0.000000 0.500000 0.669144 Mg\n0.500000 0.000000 0.833637 Zn\n0.500000 0.500000 0.333637 Zn\n0.500000 0.000000 0.334179 Si\n0.500000 0.500000 0.834179 Si\n",
"nsites": 16,
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"elements": [
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"chemical_system": "Mg-Si-Zn",
"density": 2.4561918720962796,
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"volume": 323.59661015027876,
"volume_molar": 12.179652098648898,
"formula_full": "Mg12 Zn2 Si2",
"formula_reduced": "Mg6ZnSi",
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"energy": -31.77346881,
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"spacegroup": 38
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{
"id": "mp-1027976",
"created_at": "2022-09-04T14:46:35.038935Z",
"structure_string": "Mg14 Zn1 Si1\n1.0\n6.227078 -0.022353 0.000000\n-3.132897 5.426337 0.000000\n0.000000 0.000000 10.260669\nMg Zn Si\n14 1 1\ndirect\n0.169964 0.334981 0.625000 Mg\n0.168689 0.834344 0.625000 Mg\n0.671275 0.334970 0.125000 Mg\n0.665370 0.333568 0.625000 Mg\n0.671275 0.836303 0.125000 Mg\n0.665370 0.831801 0.625000 Mg\n0.328488 0.164040 0.365618 Mg\n0.328488 0.164040 0.884382 Mg\n0.328488 0.664449 0.365618 Mg\n0.328488 0.664449 0.884382 Mg\n0.835974 0.167988 0.374794 Mg\n0.835974 0.167988 0.875206 Mg\n0.836881 0.668441 0.372822 Mg\n0.836881 0.668441 0.877178 Mg\n0.163225 0.331612 0.125000 Zn\n0.165170 0.832584 0.125000 Si\n",
"nsites": 16,
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"elements": [
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"density": 2.081792115673296,
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"formula_full": "Mg14 Zn1 Si1",
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{
"id": "mp-1027858",
"created_at": "2022-09-04T14:43:07.166723Z",
"structure_string": "Mg14 Zr1 Si1\n1.0\n6.289979 -0.000000 -0.000000\n-3.144989 5.447281 -0.000000\n0.000000 0.000000 10.259542\nMg Zr Si\n14 1 1\ndirect\n0.173749 0.836874 0.125000 Mg\n0.163876 0.831937 0.625000 Mg\n0.663126 0.326251 0.125000 Mg\n0.668063 0.336124 0.625000 Mg\n0.663126 0.836874 0.125000 Mg\n0.668063 0.831937 0.625000 Mg\n0.326782 0.173218 0.377859 Mg\n0.326782 0.173218 0.872141 Mg\n0.326782 0.653566 0.377859 Mg\n0.326782 0.653566 0.872141 Mg\n0.846434 0.173218 0.377859 Mg\n0.846434 0.173218 0.872141 Mg\n0.833333 0.666667 0.366568 Mg\n0.833333 0.666667 0.883432 Mg\n0.166667 0.333333 0.125000 Zr\n0.166667 0.333333 0.625000 Si\n",
"nsites": 16,
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"formation_energy_per_atom": null,
"energy_uncorrected": -35.8799991,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008186,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:00.055000Z",
"spacegroup": 187
},
{
"id": "mp-1022456",
"created_at": "2022-09-04T14:42:27.837033Z",
"structure_string": "Mg12 Zr2 Si2\n1.0\n5.052461 0.000000 0.000000\n0.000000 5.879574 0.000000\n0.000000 0.000000 11.294308\nMg Zr Si\n12 2 2\ndirect\n0.500000 0.749482 0.923947 Mg\n0.500000 0.250518 0.923947 Mg\n0.000000 0.250870 0.578510 Mg\n0.000000 0.749130 0.578510 Mg\n0.000000 0.500000 0.831636 Mg\n0.000000 0.000000 0.819276 Mg\n0.500000 0.249482 0.423947 Mg\n0.500000 0.750518 0.423947 Mg\n0.000000 0.750870 0.078510 Mg\n0.000000 0.249130 0.078510 Mg\n0.000000 0.000000 0.331636 Mg\n0.000000 0.500000 0.319276 Mg\n0.500000 0.500000 0.677106 Zr\n0.500000 0.000000 0.177106 Zr\n0.500000 0.000000 0.667065 Si\n0.500000 0.500000 0.167065 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zr",
"Si"
],
"chemical_system": "Mg-Si-Zr",
"density": 2.624490883481484,
"density_atomic": 0.04768826532183743,
"volume": 335.5123087832946,
"volume_molar": 12.628139688784902,
"formula_full": "Mg12 Zr2 Si2",
"formula_reduced": "Mg6ZrSi",
"formula_anonymous": "ABC6",
"energy": -46.74674024,
"energy_per_atom": -2.921671265,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.88874024,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041318,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:48.195000Z",
"spacegroup": 38
}
]
}