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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=37",
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"results": [
{
"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",
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"elements": [
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"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,
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"energy_uncorrected": -173.85361373,
"band_gap": 1.1385,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.517000Z",
"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,
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"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-1234834",
"created_at": "2022-09-04T14:39:43.979023Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n6.139568 -0.598729 -1.572421\n-2.105441 7.087467 -2.231448\n-0.892270 0.136111 9.446203\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.242680 0.637272 0.939290 Sr\n0.757320 0.362728 0.060710 Sr\n0.000000 0.000000 0.000000 Mg\n0.162149 0.262241 0.571150 Zn\n0.837851 0.737759 0.428850 Zn\n0.523703 0.820943 0.525452 Sn\n0.476297 0.179057 0.474548 Sn\n0.309994 0.393055 0.197287 P\n0.690006 0.606945 0.802713 P\n0.757880 0.017747 0.260132 P\n0.242120 0.982253 0.739868 P\n0.882853 0.682270 0.982606 O\n0.565147 0.512004 0.212928 O\n0.685993 0.797878 0.775293 O\n0.063902 0.079086 0.676791 O\n0.434853 0.487996 0.787072 O\n0.175380 0.787217 0.592317 O\n0.824620 0.212783 0.407683 O\n0.204079 0.928907 0.879065 O\n0.314007 0.202122 0.224707 O\n0.795921 0.071093 0.120935 O\n0.117147 0.317729 0.017394 O\n0.225133 0.517408 0.303627 O\n0.774867 0.482592 0.696373 O\n0.493382 0.886708 0.207966 O\n0.936098 0.920914 0.323209 O\n0.506618 0.113292 0.792034 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 4.031734393152013,
"density_atomic": 0.06917515785372004,
"volume": 390.31352927441156,
"volume_molar": 8.70564079193662,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.18051723,
"energy_per_atom": -6.858537675185185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -174.18851723,
"band_gap": 0.5153999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.055000Z",
"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-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,
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"energy_above_hull": null,
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"energy_uncorrected": -174.83722353,
"band_gap": 1.7645000000000004,
"is_gap_direct": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.421000Z",
"spacegroup": 1
},
{
"id": "mp-1233636",
"created_at": "2022-09-04T14:41:09.785172Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.314331 0.623539 -1.043143\n-0.780281 7.673504 -2.720983\n0.216016 -0.092669 9.868805\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.145743 0.736383 0.031729 Sr\n0.856547 0.243556 0.998109 Sr\n0.089299 0.723900 0.700864 Mg\n0.985194 0.269796 0.582686 Zn\n0.914078 0.659929 0.363537 Zn\n0.524863 0.855060 0.481951 Sn\n0.387045 0.208225 0.464750 Sn\n0.390154 0.451481 0.246387 P\n0.636935 0.548854 0.775420 P\n0.759487 0.963754 0.241163 P\n0.251556 0.044053 0.771876 P\n0.767463 0.511805 0.911364 O\n0.671787 0.464607 0.242428 O\n0.776479 0.694187 0.754697 O\n0.039937 0.172184 0.742839 O\n0.355730 0.591840 0.780249 O\n0.248127 0.876563 0.624782 O\n0.762721 0.125795 0.388751 O\n0.161960 0.963002 0.876120 O\n0.332680 0.284113 0.275271 O\n0.821820 0.013654 0.116220 O\n0.228222 0.455589 0.104882 O\n0.303104 0.612150 0.378093 O\n0.655947 0.384070 0.629342 O\n0.504346 0.878531 0.215402 O\n0.969899 0.830802 0.268936 O\n0.506496 0.121299 0.813403 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
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"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.864596171784054,
"density_atomic": 0.06630745583789364,
"volume": 407.1940275616778,
"volume_molar": 9.082147224473124,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.65826763,
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"energy_above_hull": null,
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"energy_uncorrected": -174.66626763,
"band_gap": 0.9307000000000004,
"is_gap_direct": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.974000Z",
"spacegroup": 1
},
{
"id": "mp-1234187",
"created_at": "2022-09-04T14:46:30.256326Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.433422 0.089649 -0.765937\n-1.454547 6.155131 -2.268597\n0.952193 1.260601 11.581072\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.210766 0.794007 0.046001 Sr\n0.768562 0.199474 0.958003 Sr\n0.814427 0.534488 0.256527 Mg\n0.080055 0.460652 0.739711 Zn\n0.074786 0.680080 0.487098 Zn\n0.671100 0.905965 0.634546 Sn\n0.237478 0.135025 0.354501 Sn\n0.329231 0.399998 0.180977 P\n0.666118 0.589922 0.800630 P\n0.719922 0.994479 0.220541 P\n0.222932 0.016348 0.772867 P\n0.860766 0.551863 0.892817 O\n0.546296 0.436992 0.104948 O\n0.706122 0.826702 0.803129 O\n0.022513 0.136776 0.726941 O\n0.399396 0.533010 0.833531 O\n0.177072 0.787959 0.691276 O\n0.819505 0.227024 0.286428 O\n0.205746 0.035818 0.905264 O\n0.238032 0.162561 0.168245 O\n0.684709 0.952978 0.083855 O\n0.099280 0.487643 0.141949 O\n0.439556 0.495812 0.312121 O\n0.729274 0.467451 0.676567 O\n0.470800 0.913381 0.264600 O\n0.916520 0.862018 0.253268 O\n0.484275 0.124536 0.753656 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
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"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.8375937204777206,
"density_atomic": 0.06584415675878624,
"volume": 410.05916590156835,
"volume_molar": 9.146051914768284,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.83029032,
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"energy_above_hull": null,
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"energy_uncorrected": -174.83829032,
"band_gap": 2.3422,
"is_gap_direct": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:33.896000Z",
"spacegroup": 1
},
{
"id": "mp-1233121",
"created_at": "2022-09-04T14:39:13.041259Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619331 -0.007962 -1.511079\n-1.388855 6.664851 -2.789557\n-0.538781 -0.175287 10.766138\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.375101 0.656643 0.977368 Sr\n0.787725 0.109896 0.934900 Sr\n0.097852 0.969443 0.190106 Mg\n0.058559 0.426232 0.571012 Zn\n0.897179 0.651803 0.346411 Zn\n0.598935 0.852211 0.539042 Sn\n0.423295 0.241468 0.582390 Sn\n0.274321 0.435278 0.190267 P\n0.811462 0.621809 0.821689 P\n0.703233 0.040210 0.280624 P\n0.173593 0.920121 0.713285 P\n0.964308 0.770875 0.981657 O\n0.555474 0.504226 0.219237 O\n0.680375 0.738798 0.740797 O\n0.970643 0.043393 0.720394 O\n0.610329 0.460788 0.819245 O\n0.058291 0.712774 0.569930 O\n0.755970 0.257807 0.395138 O\n0.298734 0.898901 0.851203 O\n0.203209 0.220478 0.177510 O\n0.726320 0.023287 0.136923 O\n0.124116 0.431825 0.043185 O\n0.201160 0.587429 0.313675 O\n0.983701 0.504755 0.753979 O\n0.443262 0.916057 0.244953 O\n0.917013 0.928275 0.330975 O\n0.389172 0.038181 0.691603 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.988537505763324,
"density_atomic": 0.06843400002621598,
"volume": 394.5407252192876,
"volume_molar": 8.799925121566785,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.65190762,
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"energy_above_hull": null,
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"energy_uncorrected": -174.65990762,
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"updated_at": "2021-11-28T01:34:36.480000Z",
"spacegroup": 1
},
{
"id": "mp-1233344",
"created_at": "2022-09-04T14:39:20.097889Z",
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"elements": [
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],
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"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
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"updated_at": "2021-11-28T01:34:33.179000Z",
"spacegroup": 1
},
{
"id": "mp-707710",
"created_at": "2022-09-04T14:40:43.543545Z",
"structure_string": "Sr2 Mg2 U2 H48 C6 O46\n1.0\n14.826180 0.000000 0.000000\n0.000000 6.551277 0.000000\n0.000000 1.937257 11.200661\nSr Mg U H C O\n2 2 2 48 6 46\ndirect\n0.250000 0.211637 0.590213 Sr\n0.750000 0.788363 0.409787 Sr\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.000000 Mg\n0.250000 0.449329 0.217454 U\n0.750000 0.550671 0.782546 U\n0.250000 0.879476 0.398732 H\n0.750000 0.120524 0.601268 H\n0.250000 0.746298 0.526704 H\n0.750000 0.253702 0.473296 H\n0.250000 0.880954 0.816720 H\n0.750000 0.119046 0.183280 H\n0.250000 0.072463 0.880757 H\n0.750000 0.927537 0.119243 H\n0.454023 0.167406 0.553996 H\n0.954023 0.832594 0.446004 H\n0.545977 0.832594 0.446004 H\n0.045977 0.167406 0.553996 H\n0.448395 0.936374 0.619923 H\n0.948395 0.063626 0.380077 H\n0.551605 0.063626 0.380077 H\n0.051605 0.936374 0.619923 H\n0.330886 0.543830 0.730403 H\n0.830886 0.456170 0.269597 H\n0.669114 0.456170 0.269597 H\n0.169114 0.543830 0.730403 H\n0.408500 0.564580 0.633272 H\n0.908500 0.435420 0.366728 H\n0.591500 0.435420 0.366728 H\n0.091500 0.564580 0.633272 H\n0.417840 0.650976 0.948339 H\n0.917840 0.349024 0.051661 H\n0.582160 0.349024 0.051661 H\n0.082160 0.650976 0.948339 H\n0.505518 0.676779 0.866040 H\n0.005518 0.323221 0.133960 H\n0.494482 0.323221 0.133960 H\n0.994482 0.676779 0.866040 H\n0.477573 0.680250 0.191417 H\n0.977573 0.319750 0.808583 H\n0.522427 0.319750 0.808583 H\n0.022427 0.680250 0.191417 H\n0.532603 0.855398 0.241078 H\n0.032603 0.144602 0.758922 H\n0.467397 0.144602 0.758922 H\n0.967397 0.855398 0.241078 H\n0.334694 0.005405 0.101360 H\n0.834694 0.994595 0.898640 H\n0.665306 0.994595 0.898640 H\n0.165306 0.005405 0.101360 H\n0.353029 0.209220 0.012993 H\n0.853029 0.790780 0.987007 H\n0.646971 0.790780 0.987007 H\n0.146971 0.209220 0.012993 H\n0.250000 0.540205 0.955247 C\n0.750000 0.459795 0.044753 C\n0.418656 0.364204 0.349013 C\n0.918656 0.635796 0.650987 C\n0.581344 0.635796 0.650987 C\n0.081344 0.364204 0.349013 C\n0.250000 0.726508 0.223138 O\n0.750000 0.273492 0.776862 O\n0.250000 0.173340 0.208788 O\n0.750000 0.826660 0.791212 O\n0.324497 0.503716 0.018085 O\n0.824497 0.496284 0.981915 O\n0.675503 0.496284 0.981915 O\n0.175503 0.503716 0.018085 O\n0.250000 0.606268 0.843770 O\n0.750000 0.393732 0.156230 O\n0.419253 0.432606 0.233072 O\n0.919253 0.567394 0.766928 O\n0.580747 0.567394 0.766928 O\n0.080747 0.432606 0.233072 O\n0.338997 0.364917 0.397998 O\n0.838997 0.635083 0.602002 O\n0.661003 0.635083 0.602002 O\n0.161003 0.364917 0.397998 O\n0.488814 0.301669 0.408794 O\n0.988814 0.698331 0.591206 O\n0.511186 0.698331 0.591206 O\n0.011186 0.301669 0.408794 O\n0.250000 0.888711 0.483522 O\n0.750000 0.111289 0.516478 O\n0.250000 0.034239 0.801881 O\n0.750000 0.965761 0.198119 O\n0.429089 0.078075 0.626494 O\n0.929089 0.921925 0.373506 O\n0.570911 0.921925 0.373506 O\n0.070911 0.078075 0.626494 O\n0.349343 0.498944 0.655738 O\n0.849343 0.501056 0.344262 O\n0.650657 0.501056 0.344262 O\n0.150657 0.498944 0.655738 O\n0.467932 0.746223 0.919086 O\n0.967932 0.253777 0.080914 O\n0.532068 0.253777 0.080914 O\n0.032068 0.746223 0.919086 O\n0.505443 0.817430 0.167447 O\n0.005443 0.182570 0.832553 O\n0.494557 0.182570 0.832553 O\n0.994557 0.817430 0.167447 O\n0.360126 0.057656 0.022577 O\n0.860126 0.942344 0.977423 O\n0.639874 0.942344 0.977423 O\n0.139874 0.057656 0.022577 O\n",
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"elements": [
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],
"chemical_system": "C-H-Mg-O-Sr-U",
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"volume_molar": 6.180789047214706,
"formula_full": "Sr2 Mg2 U2 H48 C6 O46",
"formula_reduced": "SrMgUH24C3O23",
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"energy": -656.6100552099999,
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"updated_at": "2021-11-28T01:35:11.101000Z",
"spacegroup": 11
},
{
"id": "mp-1218475",
"created_at": "2022-09-04T14:40:18.021587Z",
"structure_string": "Sr4 Mg1 Ti1 Fe2 As2 O6\n1.0\n4.015363 0.000000 0.000000\n0.000000 4.015363 0.000000\n0.000000 0.000000 16.837343\nSr Mg Ti Fe As O\n4 1 1 2 2 6\ndirect\n0.000000 0.000000 0.791114 Sr\n0.500000 0.500000 0.194864 Sr\n0.000000 0.000000 0.599480 Sr\n0.500000 0.500000 0.426327 Sr\n0.500000 0.500000 0.683461 Mg\n0.000000 0.000000 0.311367 Ti\n0.000000 0.500000 0.004184 Fe\n0.500000 0.000000 0.004184 Fe\n0.500000 0.500000 0.908581 As\n0.000000 0.000000 0.105115 As\n0.000000 0.500000 0.703521 O\n0.500000 0.000000 0.703521 O\n0.500000 0.000000 0.293383 O\n0.000000 0.500000 0.293383 O\n0.500000 0.500000 0.559503 O\n0.000000 0.000000 0.418012 O\n",
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"elements": [
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],
"chemical_system": "As-Fe-Mg-O-Sr-Ti",
"density": 4.772232743847063,
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"formula_full": "Sr4 Mg1 Ti1 Fe2 As2 O6",
"formula_reduced": "Sr4MgTiFe2(AsO3)2",
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},
{
"id": "mp-1233888",
"created_at": "2022-09-04T14:42:49.531739Z",
"structure_string": "Sr4 Mg1 Mn2 Cu3 S4 O4\n1.0\n-4.076310 4.559881 -0.000936\n-4.113977 -4.594760 -0.000061\n-2.036995 2.279494 8.606652\nSr Mg Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.336982 0.059462 0.191415 Sr\n0.972931 0.443059 0.191653 Sr\n0.091721 0.505236 0.803611 Sr\n0.604140 0.994330 0.803708 Sr\n0.640364 0.749003 0.216065 Mg\n0.522330 0.497929 0.956200 Mn\n0.020663 0.002123 0.957067 Mn\n0.493697 0.249463 0.512930 Cu\n0.487944 0.750516 0.523469 Cu\n0.993406 0.249649 0.511234 Cu\n0.185482 0.992159 0.658628 S\n0.655550 0.507770 0.658254 S\n0.326032 0.479996 0.373910 S\n0.799511 0.019470 0.372472 S\n0.249492 0.250467 0.000085 O\n0.754098 0.749309 0.992805 O\n0.754201 0.249707 0.990171 O\n0.246869 0.750349 0.007751 O\n",
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"formula_full": "Sr4 Mg1 Mn2 Cu3 S4 O4",
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}
]
}