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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10236",
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"results": [
{
"id": "mp-1233344",
"created_at": "2022-09-04T14:39:20.097889Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619459 0.612353 -1.092544\n-0.803706 7.745303 -2.621703\n0.008816 -0.302672 9.374442\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.168821 0.775387 0.051526 Sr\n0.831871 0.201075 0.994270 Sr\n0.205655 0.371846 0.841140 Mg\n0.844537 0.425207 0.428492 Zn\n0.025622 0.686276 0.437821 Zn\n0.592737 0.816303 0.556264 Sn\n0.421099 0.178315 0.452902 Sn\n0.364380 0.429380 0.225618 P\n0.654703 0.555929 0.762574 P\n0.775031 0.969957 0.260428 P\n0.211826 0.027298 0.774291 P\n0.900281 0.522409 0.850053 O\n0.624111 0.389248 0.207050 O\n0.653224 0.743238 0.758540 O\n0.004877 0.152846 0.748327 O\n0.450472 0.530508 0.839404 O\n0.230999 0.873560 0.619540 O\n0.783851 0.157759 0.391343 O\n0.168516 0.962929 0.901157 O\n0.258661 0.284342 0.267067 O\n0.829986 0.983219 0.111499 O\n0.208241 0.441120 0.074788 O\n0.350762 0.609172 0.359747 O\n0.617049 0.429633 0.589015 O\n0.517844 0.910819 0.245621 O\n0.963075 0.844734 0.306671 O\n0.437007 0.144158 0.819854 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.8572807904596162,
"density_atomic": 0.06618194095805989,
"volume": 407.96627613430303,
"volume_molar": 9.099371630421487,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -187.11545254,
"energy_per_atom": -6.930201945925926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -176.12345254,
"band_gap": 2.0298,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.179000Z",
"spacegroup": 1
},
{
"id": "mp-1233085",
"created_at": "2022-09-04T14:40:39.450454Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.148947 0.463734 -0.998946\n-0.930075 7.933707 -2.561350\n0.296265 0.210923 9.824389\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.095793 0.741642 0.003837 Sr\n0.884871 0.251201 0.993151 Sr\n0.265220 0.834739 0.371029 Mg\n0.047752 0.404246 0.629735 Zn\n0.953228 0.401888 0.382643 Zn\n0.743580 0.859881 0.651269 Sn\n0.420482 0.212641 0.451497 Sn\n0.408716 0.464239 0.231208 P\n0.588654 0.544021 0.785687 P\n0.732886 0.968246 0.226876 P\n0.248447 0.052666 0.730174 P\n0.735441 0.500857 0.916862 O\n0.695544 0.418031 0.217420 O\n0.716049 0.713577 0.790815 O\n0.122293 0.220914 0.732354 O\n0.296438 0.567398 0.786056 O\n0.229747 0.927174 0.577216 O\n0.778376 0.135727 0.354951 O\n0.092058 0.974205 0.820317 O\n0.274903 0.310438 0.260997 O\n0.773348 0.998498 0.085333 O\n0.256423 0.484226 0.091364 O\n0.393417 0.614630 0.363338 O\n0.643105 0.411056 0.643158 O\n0.454166 0.905524 0.226139 O\n0.930352 0.836372 0.257417 O\n0.540139 0.070034 0.794158 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.8331015961148163,
"density_atomic": 0.06576708238294685,
"volume": 410.5397262841175,
"volume_molar": 9.156770441684545,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -186.83375049,
"energy_per_atom": -6.919768536666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.84175049,
"band_gap": 2.3134,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.695000Z",
"spacegroup": 1
},
{
"id": "mp-1234671",
"created_at": "2022-09-04T14:40:09.500345Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.602405 0.469380 -1.273261\n-0.920658 7.800906 -2.632085\n-0.329367 -0.292128 9.612946\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.045244 0.778757 0.012207 Sr\n0.857506 0.315884 0.981520 Sr\n0.462939 0.122211 0.078483 Mg\n0.046523 0.308395 0.618494 Zn\n0.079707 0.682107 0.443551 Zn\n0.684980 0.767943 0.520455 Sn\n0.474312 0.102903 0.483014 Sn\n0.368393 0.461770 0.198852 P\n0.577634 0.527801 0.733789 P\n0.780061 0.990349 0.261453 P\n0.247952 0.035471 0.778824 P\n0.680860 0.566851 0.906538 O\n0.621617 0.414474 0.182018 O\n0.661368 0.687011 0.703056 O\n0.061305 0.172750 0.755907 O\n0.299620 0.492682 0.678184 O\n0.249347 0.899064 0.624281 O\n0.829104 0.141269 0.420302 O\n0.185410 0.965240 0.897237 O\n0.235794 0.290587 0.176608 O\n0.812327 0.047624 0.129429 O\n0.216577 0.540110 0.084373 O\n0.375811 0.594379 0.368352 O\n0.701195 0.364559 0.646735 O\n0.495664 0.959233 0.222429 O\n0.931690 0.836780 0.269034 O\n0.499201 0.128237 0.865501 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.775873131188647,
"density_atomic": 0.06478517541464111,
"volume": 416.762011172978,
"volume_molar": 9.295553684090246,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.82922353,
"energy_per_atom": -6.882563834444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.83722353,
"band_gap": 1.7645000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.421000Z",
"spacegroup": 1
},
{
"id": "mp-1234960",
"created_at": "2022-09-04T14:44:56.742995Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.445280 0.532483 -1.229975\n-0.788405 7.466887 -2.470403\n-0.103541 0.192691 9.734492\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.123021 0.744500 0.983195 Sr\n0.876979 0.255500 0.016805 Sr\n0.000000 0.000000 0.500000 Mg\n0.030280 0.435111 0.603006 Zn\n0.969720 0.564889 0.396994 Zn\n0.592223 0.819313 0.574669 Sn\n0.407777 0.180687 0.425331 Sn\n0.405644 0.473765 0.240573 P\n0.594356 0.526235 0.759427 P\n0.738005 0.934946 0.229204 P\n0.261995 0.065054 0.770796 P\n0.769958 0.496911 0.894557 O\n0.676602 0.455983 0.228067 O\n0.691153 0.704576 0.746900 O\n0.086031 0.189084 0.691762 O\n0.323398 0.544017 0.771933 O\n0.242232 0.885501 0.630644 O\n0.757768 0.114499 0.369356 O\n0.152332 0.025218 0.887738 O\n0.308847 0.295424 0.253100 O\n0.847668 0.974782 0.112262 O\n0.230042 0.503088 0.105443 O\n0.371372 0.616534 0.387614 O\n0.628628 0.383466 0.612386 O\n0.469897 0.881732 0.185626 O\n0.913969 0.810916 0.308238 O\n0.530103 0.118268 0.814374 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.9160052186416463,
"density_atomic": 0.06718951516638602,
"volume": 401.8484124068769,
"volume_molar": 8.962917421099046,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.76440679,
"energy_per_atom": -6.880163214444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.77240679,
"band_gap": 1.9056,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.898000Z",
"spacegroup": 2
},
{
"id": "mp-1233908",
"created_at": "2022-09-04T14:40:16.919893Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.244805 0.027275 -1.113131\n-1.301053 6.900996 -2.191959\n0.235020 0.931896 10.728448\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.218850 0.780719 0.016094 Sr\n0.773680 0.191631 0.946759 Sr\n0.428877 0.025638 0.330165 Mg\n0.026137 0.431746 0.694009 Zn\n0.966483 0.567868 0.259308 Zn\n0.667989 0.892078 0.608509 Sn\n0.256741 0.299918 0.506233 Sn\n0.350547 0.373282 0.209854 P\n0.619173 0.606684 0.783145 P\n0.819388 0.941321 0.221611 P\n0.199442 0.029579 0.754856 P\n0.855394 0.535596 0.856111 O\n0.624863 0.436339 0.194984 O\n0.679122 0.824576 0.796701 O\n0.965639 0.146260 0.733858 O\n0.379578 0.560358 0.836551 O\n0.090819 0.833101 0.661264 O\n0.834041 0.122289 0.329460 O\n0.266784 0.036735 0.901466 O\n0.311231 0.159746 0.193599 O\n0.817032 0.958360 0.081707 O\n0.145882 0.435017 0.108761 O\n0.285138 0.475876 0.345993 O\n0.595829 0.512447 0.634764 O\n0.563450 0.817892 0.220655 O\n0.056926 0.836171 0.263055 O\n0.439062 0.122473 0.716777 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.909232798697513,
"density_atomic": 0.0670733162373388,
"volume": 402.5445812826751,
"volume_molar": 8.978444928368633,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.88588613,
"energy_per_atom": -6.884662449259259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -174.89388613,
"band_gap": 2.2433,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.230000Z",
"spacegroup": 1
},
{
"id": "mp-1233619",
"created_at": "2022-09-04T14:39:31.285285Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.485610 0.379626 -0.875580\n-1.177751 7.130441 -2.811579\n0.532385 -0.169126 10.086412\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.223838 0.859982 0.074512 Sr\n0.788711 0.193582 0.967021 Sr\n0.226497 0.696640 0.737336 Mg\n0.001229 0.300446 0.596328 Zn\n0.910721 0.630587 0.335843 Zn\n0.540225 0.828619 0.494197 Sn\n0.408290 0.204262 0.495675 Sn\n0.360098 0.397492 0.236678 P\n0.690291 0.616405 0.769057 P\n0.783372 0.957407 0.255828 P\n0.212073 0.048778 0.749412 P\n0.952996 0.639343 0.843423 O\n0.629821 0.437781 0.217532 O\n0.629704 0.774770 0.716184 O\n0.989341 0.157942 0.733363 O\n0.484114 0.608075 0.857383 O\n0.197789 0.854567 0.610258 O\n0.803663 0.135223 0.399527 O\n0.187177 0.977001 0.872901 O\n0.345544 0.226301 0.282961 O\n0.805885 0.004182 0.122151 O\n0.186599 0.359358 0.100117 O\n0.272096 0.573865 0.363325 O\n0.686761 0.425291 0.629105 O\n0.543616 0.843510 0.241722 O\n0.995576 0.830427 0.265323 O\n0.453497 0.158907 0.770338 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.943856640639451,
"density_atomic": 0.06766738060226918,
"volume": 399.0105684554099,
"volume_molar": 8.899621510985535,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -184.84561373,
"energy_per_atom": -6.846133841851851,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -173.85361373,
"band_gap": 1.1385,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.517000Z",
"spacegroup": 1
},
{
"id": "mp-1234180",
"created_at": "2022-09-04T14:48:20.961538Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.687685 0.184094 -1.020631\n-1.377660 7.057968 -2.735532\n0.215595 -0.239491 9.902404\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.152956 0.827056 0.066353 Sr\n0.859271 0.179606 0.975833 Sr\n0.456103 0.436683 0.947036 Mg\n0.052464 0.305420 0.610162 Zn\n0.010739 0.681795 0.410928 Zn\n0.634043 0.791160 0.521722 Sn\n0.471785 0.128909 0.488161 Sn\n0.346042 0.424636 0.192093 P\n0.618014 0.569071 0.762042 P\n0.784346 0.978398 0.266906 P\n0.222969 0.019774 0.756275 P\n0.734783 0.597005 0.922593 O\n0.597321 0.433663 0.155028 O\n0.646265 0.751888 0.733964 O\n0.027949 0.140930 0.726945 O\n0.347095 0.496169 0.754940 O\n0.241557 0.858927 0.607663 O\n0.819995 0.173784 0.409237 O\n0.150028 0.945841 0.868861 O\n0.238589 0.231069 0.180215 O\n0.801878 0.003741 0.123663 O\n0.193897 0.475821 0.065991 O\n0.325832 0.582302 0.349819 O\n0.725796 0.409619 0.649428 O\n0.527085 0.887512 0.255891 O\n0.978520 0.859834 0.294072 O\n0.463250 0.161240 0.822927 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.9597393670977565,
"density_atomic": 0.06793989114060396,
"volume": 397.4101157171795,
"volume_molar": 8.863924652950901,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.34401518,
"energy_per_atom": -6.864593154814815,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -174.35201518,
"band_gap": 1.278,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.039000Z",
"spacegroup": 1
},
{
"id": "mp-1043727",
"created_at": "2022-09-04T14:43:24.596954Z",
"structure_string": "Mg2 Ti2 Sn2 P6 O24\n1.0\n8.635024 -0.205806 -0.147450\n4.385538 7.453877 -0.144670\n4.382338 2.442087 7.045706\nMg Ti Sn P O\n2 2 2 6 24\ndirect\n0.004376 0.004365 0.004323 Mg\n0.504323 0.504357 0.504345 Mg\n0.144123 0.144323 0.144019 Ti\n0.643833 0.644408 0.644216 Ti\n0.354686 0.354637 0.354633 Sn\n0.854682 0.854625 0.854662 Sn\n0.046549 0.450428 0.749246 P\n0.450381 0.749209 0.046573 P\n0.749215 0.046372 0.450522 P\n0.249146 0.950579 0.546438 P\n0.546583 0.249293 0.950357 P\n0.950375 0.546496 0.249255 P\n0.105630 0.516420 0.310716 O\n0.310752 0.105607 0.516418 O\n0.059817 0.258239 0.908798 O\n0.516405 0.310696 0.105622 O\n0.016451 0.605617 0.810714 O\n0.244194 0.436719 0.590847 O\n0.258211 0.908782 0.059824 O\n0.436762 0.590813 0.244130 O\n0.182639 0.995663 0.391112 O\n0.590900 0.244114 0.436705 O\n0.090911 0.936698 0.744120 O\n0.390810 0.182577 0.995815 O\n0.605635 0.810687 0.016411 O\n0.908908 0.059873 0.258168 O\n0.408867 0.758165 0.559872 O\n0.810750 0.016393 0.605628 O\n0.559754 0.408754 0.758312 O\n0.744208 0.090801 0.936733 O\n0.758147 0.559843 0.408808 O\n0.995752 0.390994 0.182600 O\n0.495782 0.682573 0.890915 O\n0.936748 0.744085 0.090866 O\n0.682676 0.891078 0.495695 O\n0.891017 0.495718 0.682583 O\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Mg",
"Ti",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Ti",
"density": 3.3889256214220045,
"density_atomic": 0.07720840482905485,
"volume": 466.2704802632133,
"volume_molar": 7.799851289938533,
"formula_full": "Mg2 Ti2 Sn2 P6 O24",
"formula_reduced": "MgTiSn(PO4)3",
"formula_anonymous": "ABCD3E12",
"energy": -277.81691927,
"energy_per_atom": -7.71713664638889,
"energy_above_hull": null,
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"energy_uncorrected": -261.32891927,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.9539033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.454000Z",
"spacegroup": 161
},
{
"id": "mp-1218826",
"created_at": "2022-09-04T14:40:26.224888Z",
"structure_string": "Sr14 Mg16 P24 O90\n1.0\n21.723749 5.921288 0.000000\n-21.723749 5.921288 0.000000\n0.000000 0.014004 7.306644\nSr Mg P O\n14 16 24 90\ndirect\n0.066667 0.510968 0.254269 Sr\n0.399266 0.177296 0.252949 Sr\n0.735626 0.846225 0.251605 Sr\n0.489032 0.933333 0.745731 Sr\n0.822704 0.600734 0.747051 Sr\n0.153775 0.264374 0.748395 Sr\n0.600734 0.822704 0.747051 Sr\n0.933333 0.489032 0.745731 Sr\n0.264374 0.153775 0.748395 Sr\n0.177296 0.399266 0.252949 Sr\n0.510968 0.066667 0.254269 Sr\n0.846225 0.735626 0.251605 Sr\n0.333402 0.666598 0.000000 Sr\n0.666598 0.333402 0.000000 Sr\n0.443878 0.556122 0.000000 Mg\n0.775740 0.224260 0.000000 Mg\n0.108944 0.891056 0.000000 Mg\n0.444828 0.555172 0.500000 Mg\n0.778210 0.221790 0.500000 Mg\n0.110390 0.889610 0.500000 Mg\n0.224260 0.775740 0.000000 Mg\n0.556122 0.443878 0.000000 Mg\n0.891056 0.108944 0.000000 Mg\n0.221790 0.778210 0.500000 Mg\n0.555172 0.444828 0.500000 Mg\n0.889610 0.110390 0.500000 Mg\n0.000000 0.000000 0.000000 Mg\n0.333380 0.666620 0.500000 Mg\n0.666620 0.333380 0.500000 Mg\n0.000000 0.000000 0.500000 Mg\n0.644098 0.977415 0.031056 P\n0.977415 0.644098 0.031056 P\n0.300111 0.300111 0.033044 P\n0.022585 0.355902 0.968944 P\n0.355902 0.022585 0.968944 P\n0.699889 0.699889 0.966956 P\n0.633994 0.966977 0.464533 P\n0.966977 0.633994 0.464533 P\n0.299704 0.299704 0.466449 P\n0.033023 0.366006 0.535467 P\n0.366006 0.033023 0.535467 P\n0.700296 0.700296 0.533551 P\n0.339655 0.801553 0.259392 P\n0.673008 0.468552 0.258885 P\n0.007410 0.133938 0.250133 P\n0.198447 0.660345 0.740608 P\n0.531448 0.326992 0.741115 P\n0.866062 0.992590 0.749867 P\n0.326992 0.531448 0.741115 P\n0.660345 0.198447 0.740608 P\n0.992590 0.866062 0.749867 P\n0.468552 0.673008 0.258885 P\n0.801553 0.339655 0.259392 P\n0.133938 0.007410 0.250133 P\n0.305030 0.705337 0.281479 O\n0.638045 0.372048 0.281534 O\n0.976499 0.039544 0.249888 O\n0.294663 0.694970 0.718521 O\n0.627952 0.361955 0.718466 O\n0.960456 0.023501 0.750112 O\n0.361955 0.627952 0.718466 O\n0.694970 0.294663 0.718521 O\n0.023501 0.960456 0.750112 O\n0.372048 0.638045 0.281534 O\n0.705337 0.305030 0.281479 O\n0.039544 0.976499 0.249888 O\n0.617421 0.950694 0.246791 O\n0.950694 0.617421 0.246791 O\n0.284177 0.284177 0.249784 O\n0.049306 0.382579 0.753209 O\n0.382579 0.049306 0.753209 O\n0.715823 0.715823 0.750216 O\n0.931540 0.324452 0.016405 O\n0.264414 0.990423 0.016296 O\n0.607090 0.665774 0.021436 O\n0.675548 0.068460 0.983595 O\n0.009577 0.735586 0.983704 O\n0.334226 0.392910 0.978564 O\n0.940249 0.331646 0.479563 O\n0.273041 0.998585 0.479971 O\n0.607501 0.665826 0.479011 O\n0.668354 0.059751 0.520437 O\n0.001415 0.726959 0.520029 O\n0.334174 0.392499 0.520989 O\n0.735586 0.009577 0.983704 O\n0.068460 0.675548 0.983595 O\n0.392910 0.334226 0.978564 O\n0.990423 0.264414 0.016296 O\n0.324452 0.931540 0.016405 O\n0.665774 0.607090 0.021436 O\n0.726959 0.001415 0.520029 O\n0.059751 0.668354 0.520437 O\n0.392499 0.334174 0.520989 O\n0.998585 0.273041 0.479971 O\n0.331646 0.940249 0.479563 O\n0.665826 0.607501 0.479011 O\n0.403318 0.553627 0.251971 O\n0.735987 0.220296 0.253350 O\n0.066960 0.887001 0.251322 O\n0.446373 0.596682 0.748029 O\n0.779704 0.264013 0.746650 O\n0.112999 0.933040 0.748678 O\n0.264013 0.779704 0.746650 O\n0.596682 0.446373 0.748029 O\n0.933040 0.112999 0.748678 O\n0.220296 0.735987 0.253350 O\n0.553627 0.403318 0.251971 O\n0.887001 0.066960 0.251322 O\n0.530368 0.863606 0.933374 O\n0.863606 0.530368 0.933374 O\n0.179825 0.179825 0.952934 O\n0.136394 0.469632 0.066626 O\n0.469632 0.136394 0.066626 O\n0.820175 0.820175 0.047066 O\n0.514015 0.847221 0.544053 O\n0.847221 0.514015 0.544053 O\n0.179464 0.179464 0.547390 O\n0.152779 0.485985 0.455947 O\n0.485985 0.152779 0.455947 O\n0.820536 0.820536 0.452610 O\n0.400616 0.868664 0.076975 O\n0.734158 0.535509 0.076772 O\n0.069929 0.208386 0.075194 O\n0.131336 0.599384 0.923025 O\n0.464491 0.265842 0.923228 O\n0.791614 0.930071 0.924806 O\n0.406458 0.883113 0.425333 O\n0.739665 0.549877 0.425317 O\n0.070198 0.208462 0.424488 O\n0.116887 0.593542 0.574667 O\n0.450123 0.260335 0.574683 O\n0.791538 0.929802 0.575512 O\n0.265842 0.464491 0.923228 O\n0.599384 0.131336 0.923025 O\n0.930071 0.791614 0.924806 O\n0.535509 0.734158 0.076772 O\n0.868664 0.400616 0.076975 O\n0.208386 0.069929 0.075194 O\n0.260335 0.450123 0.574683 O\n0.593542 0.116887 0.574667 O\n0.929802 0.791538 0.575512 O\n0.549877 0.739665 0.425317 O\n0.883113 0.406458 0.425333 O\n0.208462 0.070198 0.424488 O\n",
"nsites": 144,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sr",
"density": 3.355871661029591,
"density_atomic": 0.07660614135789101,
"volume": 1879.744853970078,
"volume_molar": 7.861172294092677,
"formula_full": "Sr14 Mg16 P24 O90",
"formula_reduced": "Sr7Mg8(P4O15)3",
"formula_anonymous": "A7B8C12D45",
"energy": -1075.8963483,
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"updated_at": "2021-11-28T01:35:04.561000Z",
"spacegroup": 12
},
{
"id": "mp-18469",
"created_at": "2022-09-04T14:40:38.706409Z",
"structure_string": "Sr4 Mg4 P8 O28\n1.0\n8.390692 0.000000 0.000000\n0.000000 5.373096 0.000000\n0.000000 5.203290 12.938437\nSr Mg P O\n4 4 8 28\ndirect\n0.164301 0.509661 0.777924 Sr\n0.664301 0.490339 0.722076 Sr\n0.835699 0.490339 0.222076 Sr\n0.335699 0.509661 0.277924 Sr\n0.349500 0.214801 0.607338 Mg\n0.150500 0.214801 0.107338 Mg\n0.650500 0.785199 0.392662 Mg\n0.849500 0.785199 0.892662 Mg\n0.965458 0.075833 0.669801 P\n0.201578 0.832583 0.979012 P\n0.534542 0.075833 0.169801 P\n0.034542 0.924167 0.330199 P\n0.798422 0.167417 0.020988 P\n0.298422 0.832583 0.479012 P\n0.701578 0.167417 0.520988 P\n0.465458 0.924167 0.830199 P\n0.095632 0.769495 0.900519 O\n0.595632 0.230505 0.599481 O\n0.904368 0.230505 0.099481 O\n0.404368 0.769495 0.400519 O\n0.170088 0.115537 0.977357 O\n0.670088 0.884463 0.522643 O\n0.829912 0.884463 0.022643 O\n0.329912 0.115537 0.477357 O\n0.195262 0.605982 0.085802 O\n0.695262 0.394018 0.414198 O\n0.804738 0.394018 0.914198 O\n0.304738 0.605982 0.585802 O\n0.384561 0.189529 0.762325 O\n0.884561 0.810471 0.737675 O\n0.615439 0.810471 0.237675 O\n0.115439 0.189529 0.262325 O\n0.114283 0.824154 0.443707 O\n0.614283 0.175846 0.056293 O\n0.885717 0.175846 0.556293 O\n0.385717 0.824154 0.943707 O\n0.859532 0.975643 0.345281 O\n0.359532 0.024357 0.154719 O\n0.140468 0.024357 0.654719 O\n0.640468 0.975643 0.845281 O\n0.061185 0.706718 0.285888 O\n0.561185 0.293282 0.214112 O\n0.938815 0.293282 0.714112 O\n0.438815 0.706718 0.785888 O\n",
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],
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"volume": 583.3164111922382,
"volume_molar": 7.983667126858403,
"formula_full": "Sr4 Mg4 P8 O28",
"formula_reduced": "SrMgP2O7",
"formula_anonymous": "ABC2D7",
"energy": -332.36884995,
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"updated_at": "2021-11-28T01:34:58.203000Z",
"spacegroup": 14
},
{
"id": "mp-1046096",
"created_at": "2022-09-04T14:45:19.982602Z",
"structure_string": "Sr2 Mg2 Ti2 P4 O16\n1.0\n5.608089 0.000000 0.000000\n-0.866529 6.709653 0.000000\n-2.451947 -3.172656 8.576121\nSr Mg Ti P O\n2 2 2 4 16\ndirect\n0.787320 0.259992 0.051337 Sr\n0.212680 0.740008 0.948663 Sr\n0.657388 0.250698 0.647203 Mg\n0.342612 0.749302 0.352797 Mg\n0.942193 0.664800 0.549376 Ti\n0.057807 0.335200 0.450624 Ti\n0.842527 0.821949 0.236347 P\n0.157473 0.178051 0.763653 P\n0.442148 0.270251 0.296956 P\n0.557852 0.729749 0.703044 P\n0.067334 0.325196 0.890370 O\n0.556593 0.741842 0.211222 O\n0.106776 0.946140 0.758192 O\n0.742989 0.571802 0.692116 O\n0.443407 0.258158 0.788778 O\n0.571881 0.833299 0.577006 O\n0.428119 0.166701 0.422994 O\n0.625217 0.881564 0.869096 O\n0.893224 0.053860 0.241808 O\n0.374783 0.118436 0.130904 O\n0.932666 0.674804 0.109630 O\n0.014468 0.809956 0.392693 O\n0.985532 0.190044 0.607307 O\n0.716803 0.411150 0.346125 O\n0.257011 0.428198 0.307884 O\n0.283197 0.588850 0.653875 O\n",
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"elements": [
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"P",
"O"
],
"chemical_system": "Mg-O-P-Sr-Ti",
"density": 3.599249803603779,
"density_atomic": 0.0805689104000815,
"volume": 322.70512125448454,
"volume_molar": 7.474521785259129,
"formula_full": "Sr2 Mg2 Ti2 P4 O16",
"formula_reduced": "SrMgTi(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -201.08504239,
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"total_magnetization": 7.28e-05,
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"updated_at": "2021-11-28T01:37:03.359000Z",
"spacegroup": 2
},
{
"id": "mp-1046410",
"created_at": "2022-09-04T14:41:21.388819Z",
"structure_string": "Sr2 Mg2 V2 P4 O16\n1.0\n5.456179 -0.010456 -1.079514\n-1.475473 6.379788 -2.489645\n0.009374 -0.073206 9.484106\nSr Mg V P O\n2 2 2 4 16\ndirect\n0.248416 0.800994 0.047934 Sr\n0.751584 0.199006 0.952066 Sr\n0.989623 0.382670 0.652852 Mg\n0.010377 0.617330 0.347148 Mg\n0.642774 0.851923 0.561633 V\n0.357226 0.148077 0.438367 V\n0.391862 0.423907 0.234141 P\n0.608138 0.576093 0.765859 P\n0.840876 0.024043 0.302334 P\n0.159124 0.975957 0.697666 P\n0.816747 0.549433 0.888357 O\n0.659769 0.474095 0.211810 O\n0.667207 0.800803 0.771363 O\n0.962641 0.120008 0.698987 O\n0.340231 0.525905 0.788190 O\n0.003952 0.751083 0.574740 O\n0.996048 0.248917 0.425260 O\n0.259120 0.992631 0.863757 O\n0.332793 0.199197 0.228637 O\n0.740880 0.007369 0.136243 O\n0.183253 0.450567 0.111643 O\n0.368322 0.584169 0.394607 O\n0.631678 0.415831 0.605393 O\n0.621868 0.952701 0.365942 O\n0.037359 0.879992 0.301013 O\n0.378132 0.047299 0.634058 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"V",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sr-V",
"density": 3.5620450239297177,
"density_atomic": 0.07904123701558323,
"volume": 328.9422203105705,
"volume_molar": 7.618985971604563,
"formula_full": "Sr2 Mg2 V2 P4 O16",
"formula_reduced": "SrMgV(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -202.84164714,
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"updated_at": "2021-11-28T01:35:22.236000Z",
"spacegroup": 2
}
]
}