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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=45",
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"results": [
{
"id": "mp-1235879",
"created_at": "2022-09-04T14:41:16.885150Z",
"structure_string": "Sr2 Li1 Pr2 Fe2 Ru2 O12\n1.0\n0.109661 -5.906955 -0.078309\n-5.518335 0.114707 0.057899\n0.080511 -0.108215 -7.937308\nSr Li Pr Fe Ru O\n2 1 2 2 2 12\ndirect\n0.551855 0.510939 0.754901 Sr\n0.903629 0.033841 0.220557 Sr\n0.215384 0.867533 0.361643 Li\n0.071344 0.984963 0.747466 Pr\n0.436222 0.451650 0.250213 Pr\n0.996060 0.510254 0.996459 Fe\n0.548669 0.985147 0.515132 Fe\n0.000848 0.489654 0.500694 Ru\n0.493991 0.997208 0.996929 Ru\n0.980852 0.408004 0.746548 O\n0.482406 0.068218 0.748945 O\n0.039345 0.591988 0.253797 O\n0.501233 0.899742 0.254531 O\n0.195055 0.192953 0.449396 O\n0.701568 0.304311 0.040722 O\n0.790123 0.802192 0.952165 O\n0.300708 0.699282 0.543744 O\n0.814572 0.794793 0.544543 O\n0.275342 0.717014 0.953743 O\n0.213193 0.214295 0.033369 O\n0.701885 0.297447 0.451172 O\n",
"nsites": 21,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Pr",
"Fe",
"Ru",
"O"
],
"chemical_system": "Fe-Li-O-Pr-Ru-Sr",
"density": 6.228520690211466,
"density_atomic": 0.08122026005218402,
"volume": 258.55617781213084,
"volume_molar": 7.414579510248766,
"formula_full": "Sr2 Li1 Pr2 Fe2 Ru2 O12",
"formula_reduced": "Sr2LiPr2Fe2(RuO6)2",
"formula_anonymous": "AB2C2D2E2F12",
"energy": -159.43446067,
"energy_per_atom": -7.5921171747619045,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -146.67846067,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.0113972,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:18.056000Z",
"spacegroup": 1
},
{
"id": "mp-735584",
"created_at": "2022-09-04T14:44:26.825226Z",
"structure_string": "Rb8 Fe4 H8 C20 N24 O8\n1.0\n5.149278 7.026615 0.000000\n-5.149278 7.026615 0.000000\n0.000000 6.537263 17.042742\nRb Fe H C N O\n8 4 8 20 24 8\ndirect\n0.069589 0.855659 0.125373 Rb\n0.144341 0.930411 0.374627 Rb\n0.930411 0.144341 0.874627 Rb\n0.855659 0.069589 0.625373 Rb\n0.417730 0.251980 0.840619 Rb\n0.748020 0.582270 0.659381 Rb\n0.582270 0.748020 0.159381 Rb\n0.251980 0.417730 0.340619 Rb\n0.246937 0.353564 0.071066 Fe\n0.646436 0.753063 0.428934 Fe\n0.753063 0.646436 0.928934 Fe\n0.353564 0.246937 0.571066 Fe\n0.324848 0.924115 0.882942 H\n0.075885 0.675152 0.617058 H\n0.675152 0.075885 0.117058 H\n0.924115 0.324848 0.382942 H\n0.328771 0.922552 0.796909 H\n0.077448 0.671229 0.703091 H\n0.671229 0.077448 0.203091 H\n0.922552 0.328771 0.296909 H\n0.149884 0.244185 0.024170 C\n0.755815 0.850116 0.475830 C\n0.850116 0.755815 0.975830 C\n0.244185 0.149884 0.524170 C\n0.338370 0.437452 0.132029 C\n0.562548 0.661630 0.367971 C\n0.661630 0.562548 0.867971 C\n0.437452 0.338370 0.632029 C\n0.255419 0.151938 0.151763 C\n0.848062 0.744581 0.348237 C\n0.744581 0.848062 0.848237 C\n0.151938 0.255419 0.651763 C\n0.032366 0.436683 0.133512 C\n0.563317 0.967634 0.366488 C\n0.967634 0.563317 0.866488 C\n0.436683 0.032366 0.633512 C\n0.465611 0.239901 0.024971 C\n0.760099 0.534389 0.475029 C\n0.534389 0.760099 0.975029 C\n0.239901 0.465611 0.524971 C\n0.245871 0.516085 0.995851 N\n0.483915 0.754129 0.504149 N\n0.754129 0.483915 0.004149 N\n0.516085 0.245871 0.495851 N\n0.091945 0.181154 0.993684 N\n0.818846 0.908055 0.506316 N\n0.908055 0.818846 0.006316 N\n0.181154 0.091945 0.493684 N\n0.386907 0.499261 0.167089 N\n0.500739 0.613093 0.332911 N\n0.613093 0.500739 0.832911 N\n0.499261 0.386907 0.667089 N\n0.262446 0.025326 0.197673 N\n0.974674 0.737554 0.302327 N\n0.737554 0.974674 0.802327 N\n0.025326 0.262446 0.697673 N\n0.904010 0.492475 0.171274 N\n0.507525 0.095990 0.328726 N\n0.095990 0.507525 0.828726 N\n0.492475 0.904010 0.671274 N\n0.599004 0.175396 0.994924 N\n0.824604 0.400996 0.505076 N\n0.400996 0.824604 0.005076 N\n0.175396 0.599004 0.494924 N\n0.250288 0.620884 0.940619 O\n0.379116 0.749712 0.559381 O\n0.749712 0.379116 0.059381 O\n0.620884 0.250288 0.440619 O\n0.278673 0.987384 0.837248 O\n0.012616 0.721327 0.662752 O\n0.721327 0.012616 0.162752 O\n0.987384 0.278673 0.337248 O\n",
"nsites": 72,
"nelements": 6,
"elements": [
"Rb",
"Fe",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Fe-H-N-O-Rb",
"density": 2.1806355228095042,
"density_atomic": 0.05838086609439395,
"volume": 1233.28077873298,
"volume_molar": 10.31526450851725,
"formula_full": "Rb8 Fe4 H8 C20 N24 O8",
"formula_reduced": "Rb2FeH2C5(N3O)2",
"formula_anonymous": "AB2C2D2E5F6",
"energy": -508.91607322,
"energy_per_atom": -7.068278794722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -485.73207322,
"band_gap": 2.3701,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0132979,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:38.382000Z",
"spacegroup": 15
},
{
"id": "mp-1180681",
"created_at": "2022-09-04T14:44:30.188151Z",
"structure_string": "Os4 C32 I16 N12 O4 F4\n1.0\n8.975806 0.000000 0.000000\n0.000000 14.657689 0.000000\n0.000000 0.000000 14.714045\nOs C I N O F\n4 32 16 12 4 4\ndirect\n0.241739 0.396572 0.261468 Os\n0.758261 0.603428 0.761468 Os\n0.241739 0.103428 0.761468 Os\n0.758261 0.896572 0.261468 Os\n0.253771 0.689330 0.370958 C\n0.746229 0.310670 0.870958 C\n0.253771 0.810670 0.870958 C\n0.746229 0.189330 0.370958 C\n0.245100 0.831414 0.436588 C\n0.754900 0.168586 0.936588 C\n0.245100 0.668586 0.936588 C\n0.754900 0.331414 0.436588 C\n0.193777 0.781491 0.353768 C\n0.806223 0.218509 0.853768 C\n0.193777 0.718509 0.853768 C\n0.806223 0.281491 0.353768 C\n0.241669 0.733057 0.461713 C\n0.758331 0.266943 0.961713 C\n0.241669 0.766943 0.961713 C\n0.758331 0.233057 0.461713 C\n0.188942 0.465627 0.501368 C\n0.811058 0.534373 0.001368 C\n0.188942 0.034373 0.001368 C\n0.811058 0.965627 0.501368 C\n0.265925 0.399446 0.733574 C\n0.734075 0.600554 0.233574 C\n0.265925 0.100554 0.233574 C\n0.734075 0.899446 0.733574 C\n0.258633 0.367933 0.813661 C\n0.741367 0.632067 0.313661 C\n0.258633 0.132067 0.313661 C\n0.741367 0.867933 0.813661 C\n0.227516 0.457104 0.582089 C\n0.772484 0.542896 0.082089 C\n0.227516 0.042896 0.082089 C\n0.772484 0.957104 0.582089 C\n0.248752 0.248877 0.381932 I\n0.751248 0.751123 0.881932 I\n0.248752 0.251123 0.881932 I\n0.751248 0.748877 0.381932 I\n0.078406 0.495239 0.390149 I\n0.921594 0.504761 0.890149 I\n0.078406 0.004761 0.890149 I\n0.921594 0.995239 0.390149 I\n0.435109 0.317148 0.146864 I\n0.564891 0.682852 0.646864 I\n0.435109 0.182852 0.646864 I\n0.564891 0.817148 0.146864 I\n0.259044 0.556710 0.172936 I\n0.740956 0.443290 0.672936 I\n0.259044 0.943290 0.672936 I\n0.740956 0.056710 0.172936 I\n0.090028 0.357751 0.196629 N\n0.909972 0.642249 0.696629 N\n0.090028 0.142249 0.696629 N\n0.909972 0.857751 0.196629 N\n0.366278 0.770422 0.388374 N\n0.633722 0.229578 0.888374 N\n0.366278 0.729578 0.888374 N\n0.633722 0.270422 0.388374 N\n0.262385 0.449774 0.664778 N\n0.737615 0.550226 0.164778 N\n0.262385 0.050226 0.164778 N\n0.737615 0.949774 0.664778 N\n0.993850 0.330281 0.149691 O\n0.006150 0.669719 0.649691 O\n0.993850 0.169719 0.649691 O\n0.006150 0.830281 0.149691 O\n0.408390 0.434414 0.337258 F\n0.591610 0.565586 0.837258 F\n0.408390 0.065586 0.837258 F\n0.591610 0.934414 0.337258 F\n",
"nsites": 72,
"nelements": 6,
"elements": [
"Os",
"C",
"I",
"N",
"O",
"F"
],
"chemical_system": "C-F-I-N-O-Os",
"density": 2.9883534448927933,
"density_atomic": 0.03719302109214445,
"volume": 1935.8470456493017,
"volume_molar": 16.191588053792003,
"formula_full": "Os4 C32 I16 N12 O4 F4",
"formula_reduced": "OsC8I4N3OF",
"formula_anonymous": "ABCD3E4F8",
"energy": -438.12705215000005,
"energy_per_atom": -6.085097946527778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -423.13505215,
"band_gap": 0.1366,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.3128561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.488000Z",
"spacegroup": 29
},
{
"id": "mp-849337",
"created_at": "2022-09-04T14:44:30.367787Z",
"structure_string": "Na1 Li3 Ti2 Fe2 P6 O24\n1.0\n7.895100 -4.237351 0.000000\n7.895100 4.237351 0.000000\n5.620886 0.000000 6.978064\nNa Li Ti Fe P O\n1 3 2 2 6 24\ndirect\n0.495506 0.495506 0.495506 Na\n0.261489 0.922424 0.674611 Li\n0.674611 0.261489 0.922424 Li\n0.922424 0.674611 0.261489 Li\n0.853260 0.853260 0.853260 Ti\n0.142635 0.142635 0.142635 Ti\n0.353937 0.353937 0.353937 Fe\n0.652462 0.652462 0.652462 Fe\n0.248756 0.535888 0.967958 P\n0.042774 0.749671 0.460061 P\n0.460061 0.042774 0.749671 P\n0.535888 0.967958 0.248756 P\n0.967958 0.248756 0.535888 P\n0.749671 0.460061 0.042774 P\n0.469689 0.863088 0.752780 O\n0.752780 0.469689 0.863088 O\n0.194985 0.381751 0.000983 O\n0.115269 0.740488 0.877543 O\n0.266824 0.110190 0.900777 O\n0.863088 0.752780 0.469689 O\n0.993638 0.805126 0.622895 O\n0.458695 0.507997 0.823047 O\n0.201398 0.550927 0.479991 O\n0.622895 0.993638 0.805126 O\n0.110190 0.900777 0.266824 O\n0.479991 0.201398 0.550927 O\n0.507997 0.823047 0.458695 O\n0.877543 0.115269 0.740488 O\n0.381751 0.000983 0.194985 O\n0.823047 0.458695 0.507997 O\n0.550927 0.479991 0.201398 O\n0.000983 0.194985 0.381751 O\n0.162456 0.213358 0.528059 O\n0.740488 0.877543 0.115269 O\n0.900777 0.266824 0.110190 O\n0.805126 0.622895 0.993638 O\n0.213358 0.528059 0.162456 O\n0.528059 0.162456 0.213358 O\n",
"nsites": 38,
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"elements": [
"Na",
"Li",
"Ti",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-Na-O-P-Ti",
"density": 2.9201797611647256,
"density_atomic": 0.08138916206873556,
"volume": 466.8926308383403,
"volume_molar": 7.3991924808294804,
"formula_full": "Na1 Li3 Ti2 Fe2 P6 O24",
"formula_reduced": "NaLi3Ti2Fe2(PO4)6",
"formula_anonymous": "AB2C2D3E6F24",
"energy": -295.11910956,
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"updated_at": "2021-11-28T01:36:44.307000Z",
"spacegroup": 146
},
{
"id": "mp-697033",
"created_at": "2022-09-04T14:44:52.086074Z",
"structure_string": "Cd2 H8 C2 N4 Cl4 O2\n1.0\n3.821389 0.000000 0.000000\n1.156674 8.214166 0.000000\n1.311388 2.456609 9.876089\nCd H C N Cl O\n2 8 2 4 4 2\ndirect\n0.268406 0.619430 0.821955 Cd\n0.731594 0.380570 0.178045 Cd\n0.901027 0.968273 0.876287 H\n0.098973 0.031727 0.123713 H\n0.889491 0.182876 0.801298 H\n0.110509 0.817124 0.198702 H\n0.169692 0.278097 0.591323 H\n0.830308 0.721903 0.408677 H\n0.402846 0.139158 0.500480 H\n0.597154 0.860842 0.499520 H\n0.189369 0.029060 0.691114 C\n0.810631 0.970940 0.308886 C\n0.998793 0.063074 0.803427 N\n0.001207 0.936926 0.196573 N\n0.281412 0.159551 0.590239 N\n0.718588 0.840449 0.409761 N\n0.686181 0.693292 0.987356 Cl\n0.313819 0.306708 0.012644 Cl\n0.852566 0.512344 0.690071 Cl\n0.147434 0.487656 0.309929 Cl\n0.292637 0.879383 0.679957 O\n0.707363 0.120617 0.320043 O\n",
"nsites": 22,
"nelements": 6,
"elements": [
"Cd",
"H",
"C",
"N",
"Cl",
"O"
],
"chemical_system": "C-Cd-Cl-H-N-O",
"density": 2.607236628444482,
"density_atomic": 0.07096643049705467,
"volume": 310.00572870736494,
"volume_molar": 8.485900612191475,
"formula_full": "Cd2 H8 C2 N4 Cl4 O2",
"formula_reduced": "CdH4CN2Cl2O",
"formula_anonymous": "ABCD2E2F4",
"energy": -118.62390052,
"energy_per_atom": -5.391995478181818,
"energy_above_hull": null,
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"energy_uncorrected": -113.34990052000002,
"band_gap": 3.5746,
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"updated_at": "2021-11-28T01:36:44.807000Z",
"spacegroup": 2
},
{
"id": "mp-1235093",
"created_at": "2022-09-04T14:44:52.183532Z",
"structure_string": "Ba6 Li1 Nb2 Ir1 Cl2 O12\n1.0\n6.033569 -0.015654 -0.234637\n-3.030323 5.212060 0.234121\n-0.532551 0.304554 15.394460\nBa Li Nb Ir Cl O\n6 1 2 1 2 12\ndirect\n0.310542 0.690406 0.366770 Ba\n0.347766 0.653387 0.782027 Ba\n0.668390 0.332794 0.636797 Ba\n0.696521 0.304481 0.905999 Ba\n0.378489 0.622487 0.034475 Ba\n0.628764 0.371173 0.223068 Ba\n0.205431 0.793360 0.173532 Li\n0.023645 0.977144 0.815949 Nb\n0.949706 0.050755 0.183904 Nb\n0.019587 0.980448 0.001250 Ir\n0.657594 0.343214 0.426454 Cl\n0.336422 0.664728 0.574822 Cl\n0.189732 0.283059 0.906718 O\n0.345452 0.137857 0.757728 O\n0.102996 0.395732 0.226769 O\n0.869500 0.655041 0.757971 O\n0.853777 0.140080 0.753030 O\n0.855253 0.714858 0.105162 O\n0.100629 0.901268 0.269847 O\n0.284610 0.145661 0.105209 O\n0.851046 0.147106 0.063473 O\n0.717494 0.807465 0.906770 O\n0.605080 0.896022 0.227087 O\n0.178657 0.824808 0.920188 O\n",
"nsites": 24,
"nelements": 6,
"elements": [
"Ba",
"Li",
"Nb",
"Ir",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Ir-Li-Nb-O",
"density": 5.065131289195565,
"density_atomic": 0.04973873548729795,
"volume": 482.5213139189879,
"volume_molar": 12.107546967167886,
"formula_full": "Ba6 Li1 Nb2 Ir1 Cl2 O12",
"formula_reduced": "Ba6LiNb2Ir(ClO6)2",
"formula_anonymous": "ABC2D2E6F12",
"energy": -173.73375399,
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"energy_uncorrected": -164.26175399,
"band_gap": 1.5034,
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"updated_at": "2021-11-28T01:36:42.826000Z",
"spacegroup": 8
},
{
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