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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10411",
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"results": [
{
"id": "mp-1073927",
"created_at": "2022-09-04T14:47:28.044954Z",
"structure_string": "Mg12 Si10\n1.0\n4.627078 0.000000 0.000000\n1.976339 8.078759 0.000000\n1.598660 1.767506 11.573660\nMg Si\n12 10\ndirect\n0.994996 0.369094 0.901402 Mg\n0.098126 0.635304 0.643031 Mg\n0.156751 0.718742 0.376369 Mg\n0.859514 0.761526 0.909238 Mg\n0.586013 0.341352 0.711951 Mg\n0.734618 0.779719 0.170597 Mg\n0.194738 0.298007 0.346665 Mg\n0.715632 0.138541 0.500353 Mg\n0.064838 0.025819 0.729893 Mg\n0.576888 0.209459 0.124782 Mg\n0.391582 0.595445 0.057425 Mg\n0.198654 0.984661 0.016908 Mg\n0.137533 0.307911 0.583799 Si\n0.574717 0.985448 0.330302 Si\n0.080173 0.021812 0.249378 Si\n0.465100 0.622433 0.817547 Si\n0.619325 0.873518 0.689143 Si\n0.534253 0.798552 0.511436 Si\n0.955919 0.432867 0.130172 Si\n0.765543 0.514988 0.483565 Si\n0.668456 0.114767 0.914457 Si\n0.623143 0.469834 0.305088 Si\n",
"nsites": 22,
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"elements": [
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"formula_full": "Mg12 Si10",
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"formula_anonymous": "A5B6",
"energy": -71.40463717,
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"updated_at": "2021-11-28T01:38:14.110000Z",
"spacegroup": 1
},
{
"id": "mp-1075102",
"created_at": "2022-09-04T14:47:45.078502Z",
"structure_string": "Mg6 Si8\n1.0\n1.600821 9.857327 0.000000\n-1.600821 9.857327 0.000000\n0.000000 0.339447 8.465442\nMg Si\n6 8\ndirect\n0.671069 0.671069 0.401550 Mg\n0.644163 0.644163 0.914905 Mg\n0.054482 0.054482 0.167712 Mg\n0.798598 0.798598 0.065901 Mg\n0.054202 0.054202 0.684370 Mg\n0.407838 0.407838 0.665094 Mg\n0.522293 0.522293 0.431967 Si\n0.932275 0.932275 0.355669 Si\n0.409717 0.409717 0.131766 Si\n0.495714 0.495714 0.925382 Si\n0.195665 0.195665 0.666678 Si\n0.190569 0.190569 0.145070 Si\n0.817668 0.817668 0.459047 Si\n0.782453 0.782453 0.738169 Si\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3028844604034315,
"density_atomic": 0.052401831323788506,
"volume": 267.16623534575814,
"volume_molar": 11.492233396938879,
"formula_full": "Mg6 Si8",
"formula_reduced": "Mg3Si4",
"formula_anonymous": "A3B4",
"energy": -50.22421208,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:22.492000Z",
"spacegroup": 8
},
{
"id": "mp-1074851",
"created_at": "2022-09-04T14:47:46.283491Z",
"structure_string": "Mg14 Si8\n1.0\n6.274163 0.066215 0.203627\n0.023266 4.216699 -0.343775\n-2.916515 -0.531171 16.412668\nMg Si\n14 8\ndirect\n0.127409 0.532734 0.133243 Mg\n0.871067 0.078278 0.228337 Mg\n0.896202 0.702877 0.469770 Mg\n0.587045 0.613848 0.296073 Mg\n0.609429 0.521000 0.110523 Mg\n0.463854 0.796324 0.666168 Mg\n0.969174 0.794107 0.682130 Mg\n0.397170 0.699957 0.465222 Mg\n0.330090 0.971729 0.016520 Mg\n0.832718 0.978092 0.021365 Mg\n0.051976 0.431781 0.926251 Mg\n0.545130 0.434112 0.908646 Mg\n0.184360 0.257445 0.574212 Mg\n0.684623 0.254519 0.573205 Mg\n0.825748 0.893790 0.841958 Si\n0.422561 0.058773 0.189058 Si\n0.075240 0.629739 0.327897 Si\n0.289957 0.338158 0.748715 Si\n0.222534 0.886072 0.840435 Si\n0.282841 0.123686 0.321114 Si\n0.634037 0.171217 0.406252 Si\n0.689406 0.331718 0.749204 Si\n",
"nsites": 22,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.153572396357336,
"density_atomic": 0.05050332495536225,
"volume": 435.6148831674918,
"volume_molar": 11.92424610720723,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -62.57583307,
"energy_per_atom": -2.8443560486363637,
"energy_above_hull": null,
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"energy_uncorrected": -63.14383306999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.11e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:18.874000Z",
"spacegroup": 1
},
{
"id": "mp-1208848",
"created_at": "2022-09-04T14:44:15.163030Z",
"structure_string": "Sm4 Mg2 Si4\n1.0\n7.306984 0.000000 0.000000\n0.000000 7.306984 0.000000\n0.000000 0.000000 4.306832\nSm Mg Si\n4 2 4\ndirect\n0.679358 0.179358 0.500000 Sm\n0.320642 0.820642 0.500000 Sm\n0.179358 0.320642 0.500000 Sm\n0.820642 0.679358 0.500000 Sm\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.116201 0.616201 0.000000 Si\n0.883799 0.383799 0.000000 Si\n0.616201 0.883799 0.000000 Si\n0.383799 0.116201 0.000000 Si\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sm",
"density": 5.505454578757435,
"density_atomic": 0.043487631602274555,
"volume": 229.95043950558497,
"volume_molar": 13.847939145264974,
"formula_full": "Sm4 Mg2 Si4",
"formula_reduced": "Sm2MgSi2",
"formula_anonymous": "AB2C2",
"energy": -50.46848941,
"energy_per_atom": -5.0468489409999995,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -50.75248941,
"band_gap": 0.0,
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"total_magnetization": 0.0005991,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.408000Z",
"spacegroup": 127
},
{
"id": "mp-1021412",
"created_at": "2022-09-04T14:48:12.402637Z",
"structure_string": "Mg12 Si2 Sn2\n1.0\n5.097883 0.000000 0.000000\n0.000000 6.463752 0.000000\n0.000000 0.000000 10.543927\nMg Si Sn\n12 2 2\ndirect\n0.500000 0.249734 0.084325 Mg\n0.500000 0.750266 0.084325 Mg\n0.000000 0.258738 0.914471 Mg\n0.000000 0.741262 0.914471 Mg\n0.000000 0.500000 0.165944 Mg\n0.000000 0.500000 0.670693 Mg\n0.500000 0.749734 0.584325 Mg\n0.500000 0.250266 0.584325 Mg\n0.000000 0.758738 0.414471 Mg\n0.000000 0.241262 0.414471 Mg\n0.000000 0.000000 0.665944 Mg\n0.000000 0.000000 0.170693 Mg\n0.500000 0.500000 0.832031 Si\n0.500000 0.000000 0.332031 Si\n0.500000 0.500000 0.333745 Sn\n0.500000 0.000000 0.833745 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 2.7971407635779846,
"density_atomic": 0.04605142179235016,
"volume": 347.43769849594185,
"volume_molar": 13.076992035456264,
"formula_full": "Mg12 Si2 Sn2",
"formula_reduced": "Mg6SiSn",
"formula_anonymous": "ABC6",
"energy": -37.80135546,
"energy_per_atom": -2.36258471625,
"energy_above_hull": null,
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"energy_uncorrected": -37.80135546,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.307000Z",
"spacegroup": 38
},
{
"id": "mp-1222095",
"created_at": "2022-09-04T14:39:19.172258Z",
"structure_string": "Mg6 Si1 Sn2\n1.0\n-2.361413 3.334418 7.056880\n2.361413 -3.334418 7.056880\n2.361413 3.334418 -7.056880\nMg Si Sn\n6 1 2\ndirect\n0.235935 0.500000 0.735935 Mg\n0.918079 0.160573 0.757506 Mg\n0.596934 0.839427 0.757506 Mg\n0.764065 0.500000 0.264065 Mg\n0.403066 0.160573 0.242494 Mg\n0.081921 0.839427 0.242494 Mg\n0.000000 0.000000 0.000000 Si\n0.665969 0.665969 0.000000 Sn\n0.334031 0.334031 0.000000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Mg",
"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 3.0731274705157006,
"density_atomic": 0.040492798668088394,
"volume": 222.26174273038652,
"volume_molar": 14.872127780947714,
"formula_full": "Mg6 Si1 Sn2",
"formula_reduced": "Mg6SiSn2",
"formula_anonymous": "AB2C6",
"energy": -24.44824904,
"energy_per_atom": -2.716472115555556,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -24.44824904,
"band_gap": 0.0133,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.192000Z",
"spacegroup": 71
},
{
"id": "mp-1021421",
"created_at": "2022-09-04T14:46:52.740791Z",
"structure_string": "Mg12 Si2 Sn2\n1.0\n5.154083 0.000000 0.000000\n0.000000 6.083674 0.000000\n0.000000 0.000000 11.011105\nMg Si Sn\n12 2 2\ndirect\n0.000000 0.740195 0.091849 Mg\n0.000000 0.259805 0.091849 Mg\n0.000000 0.000000 0.331962 Mg\n0.500000 0.249792 0.416377 Mg\n0.500000 0.750208 0.416377 Mg\n0.500000 0.000000 0.169000 Mg\n0.000000 0.240195 0.591849 Mg\n0.000000 0.759805 0.591849 Mg\n0.000000 0.500000 0.831962 Mg\n0.500000 0.749792 0.916377 Mg\n0.500000 0.250208 0.916377 Mg\n0.500000 0.500000 0.669000 Mg\n0.500000 0.500000 0.141177 Si\n0.500000 0.000000 0.641177 Si\n0.000000 0.500000 0.341407 Sn\n0.000000 0.000000 0.841407 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 2.8147706631931593,
"density_atomic": 0.04634167602406665,
"volume": 345.26157387339015,
"volume_molar": 12.995086230529338,
"formula_full": "Mg12 Si2 Sn2",
"formula_reduced": "Mg6SiSn",
"formula_anonymous": "ABC6",
"energy": -37.79910813,
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"updated_at": "2021-11-28T01:37:38.522000Z",
"spacegroup": 38
},
{
"id": "mp-1028295",
"created_at": "2022-09-04T14:42:26.018549Z",
"structure_string": "Mg14 Si1 Sn1\n1.0\n6.261544 -0.192784 0.000000\n-3.297727 5.711831 0.000000\n0.000000 0.000000 10.168650\nMg Si Sn\n14 1 1\ndirect\n0.170800 0.335399 0.625000 Mg\n0.170094 0.835046 0.625000 Mg\n0.670825 0.334757 0.125000 Mg\n0.667737 0.334649 0.625000 Mg\n0.670825 0.836067 0.125000 Mg\n0.667737 0.833087 0.625000 Mg\n0.328215 0.159395 0.369372 Mg\n0.328215 0.159395 0.880628 Mg\n0.328215 0.668820 0.369372 Mg\n0.328215 0.668820 0.880628 Mg\n0.832693 0.166347 0.376271 Mg\n0.832693 0.166347 0.873729 Mg\n0.838389 0.669195 0.370401 Mg\n0.838389 0.669195 0.879599 Mg\n0.162275 0.831137 0.125000 Si\n0.164686 0.332342 0.125000 Sn\n",
"nsites": 16,
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"elements": [
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],
"chemical_system": "Mg-Si-Sn",
"density": 2.264152870423032,
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"volume": 357.2158493838574,
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"formula_full": "Mg14 Si1 Sn1",
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"updated_at": "2021-11-28T01:35:47.100000Z",
"spacegroup": 38
},
{
"id": "mp-1028270",
"created_at": "2022-09-04T14:41:09.386003Z",
"structure_string": "Mg14 Si1 Sn1\n1.0\n6.306999 0.000000 0.000000\n-3.153500 5.462021 0.000000\n0.000000 0.000000 10.242046\nMg Si Sn\n14 1 1\ndirect\n0.166858 0.833429 0.125000 Mg\n0.164739 0.832369 0.625000 Mg\n0.666571 0.333142 0.125000 Mg\n0.667631 0.335261 0.625000 Mg\n0.666571 0.833429 0.125000 Mg\n0.667631 0.832369 0.625000 Mg\n0.333690 0.166310 0.381140 Mg\n0.333690 0.166310 0.868860 Mg\n0.333690 0.667381 0.381140 Mg\n0.333690 0.667381 0.868860 Mg\n0.832619 0.166310 0.381140 Mg\n0.832619 0.166310 0.868860 Mg\n0.833333 0.666667 0.375267 Mg\n0.833333 0.666667 0.874733 Mg\n0.166667 0.333333 0.625000 Si\n0.166667 0.333333 0.125000 Sn\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Si",
"Sn"
],
"chemical_system": "Mg-Si-Sn",
"density": 2.2923114109356098,
"density_atomic": 0.04534789505618124,
"volume": 352.82784306036024,
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"formula_full": "Mg14 Si1 Sn1",
"formula_reduced": "Mg14SiSn",
"formula_anonymous": "ABC14",
"energy": -31.95571188,
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"updated_at": "2021-11-28T01:35:15.714000Z",
"spacegroup": 187
},
{
"id": "mp-1222116",
"created_at": "2022-09-04T14:42:19.931694Z",
"structure_string": "Mg4 Si1 Sn1\n1.0\n7.701488 -2.334099 0.000000\n7.701488 2.334099 0.000000\n6.994090 0.000000 3.980407\nMg Si Sn\n4 1 1\ndirect\n0.621553 0.621553 0.621553 Mg\n0.128137 0.128137 0.128137 Mg\n0.871863 0.871863 0.871863 Mg\n0.378447 0.378447 0.378447 Mg\n0.500000 0.500000 0.500000 Si\n0.000000 0.000000 0.000000 Sn\n",
"nsites": 6,
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"volume": 143.10387458977115,
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"formula_full": "Mg4 Si1 Sn1",
"formula_reduced": "Mg4SiSn",
"formula_anonymous": "ABC4",
"energy": -16.67250078,
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"spacegroup": 166
},
{
"id": "mp-1222079",
"created_at": "2022-09-04T14:39:17.952011Z",
"structure_string": "Mg4 Si1 Sn1\n1.0\n0.000000 4.059800 4.059800\n4.059800 0.000000 4.059800\n4.059800 4.059800 0.000000\nMg Si Sn\n4 1 1\ndirect\n0.124696 0.124696 0.625911 Mg\n0.124696 0.625911 0.124696 Mg\n0.625911 0.124696 0.124696 Mg\n0.124696 0.124696 0.124696 Mg\n0.750000 0.750000 0.750000 Si\n0.500000 0.500000 0.500000 Sn\n",
"nsites": 6,
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"formula_full": "Mg4 Si1 Sn1",
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"updated_at": "2021-11-28T01:34:27.749000Z",
"spacegroup": 216
},
{
"id": "mp-573908",
"created_at": "2022-09-04T14:45:21.932157Z",
"structure_string": "Sr11 Mg2 Si10\n1.0\n2.380566 9.869075 0.000000\n-2.380566 9.869075 0.000000\n0.000000 5.629568 13.798438\nSr Mg Si\n11 2 10\ndirect\n0.206353 0.206353 0.621775 Sr\n0.982875 0.982875 0.803823 Sr\n0.356171 0.356171 0.717334 Sr\n0.428640 0.428640 0.441463 Sr\n0.157416 0.157416 0.895684 Sr\n0.793647 0.793647 0.378225 Sr\n0.500000 0.500000 0.000000 Sr\n0.017125 0.017125 0.196177 Sr\n0.842584 0.842584 0.104316 Sr\n0.571360 0.571360 0.558537 Sr\n0.643829 0.643829 0.282666 Sr\n0.219548 0.219548 0.082736 Mg\n0.780452 0.780452 0.917264 Mg\n0.830886 0.830886 0.579276 Si\n0.388622 0.388622 0.236462 Si\n0.259892 0.259892 0.253255 Si\n0.045553 0.045553 0.416036 Si\n0.611378 0.611378 0.763538 Si\n0.642589 0.642589 0.069781 Si\n0.169114 0.169114 0.420724 Si\n0.357411 0.357411 0.930219 Si\n0.740108 0.740108 0.746745 Si\n0.954447 0.954447 0.583964 Si\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"Si"
],
"chemical_system": "Mg-Si-Sr",
"density": 3.3122776930316555,
"density_atomic": 0.03547408790346853,
"volume": 648.3605741347656,
"volume_molar": 16.976168002930322,
"formula_full": "Sr11 Mg2 Si10",
"formula_reduced": "Sr11(MgSi5)2",
"formula_anonymous": "A2B10C11",
"energy": -85.1467114,
"energy_per_atom": -3.7020309304347827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -85.8567114,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.540528,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:12.129000Z",
"spacegroup": 12
}
]
}