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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy&page=11460",
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"results": [
{
"id": "mp-1041773",
"created_at": "2022-09-04T14:46:53.116384Z",
"structure_string": "Si16 Sn8 O48\n1.0\n5.141790 0.000000 0.000000\n0.000000 10.897666 0.000000\n0.000000 0.000000 19.137846\nSi Sn O\n16 8 48\ndirect\n0.621134 0.170476 0.276352 Si\n0.758952 0.328114 0.973704 Si\n0.741048 0.328114 0.473704 Si\n0.878866 0.670476 0.723648 Si\n0.121134 0.829524 0.223648 Si\n0.378866 0.329524 0.776352 Si\n0.258952 0.171886 0.973704 Si\n0.758952 0.828114 0.526296 Si\n0.741048 0.828114 0.026296 Si\n0.878866 0.170476 0.776352 Si\n0.378866 0.829524 0.723648 Si\n0.621134 0.670476 0.223648 Si\n0.241048 0.671886 0.026296 Si\n0.121134 0.329524 0.276352 Si\n0.241048 0.171886 0.473704 Si\n0.258952 0.671886 0.526296 Si\n0.436664 0.545453 0.374052 Sn\n0.563336 0.454547 0.625948 Sn\n0.936664 0.454547 0.125948 Sn\n0.063336 0.545453 0.874052 Sn\n0.436664 0.045453 0.125948 Sn\n0.563336 0.954547 0.874052 Sn\n0.936664 0.954547 0.374052 Sn\n0.063336 0.045453 0.625948 Sn\n0.822495 0.045314 0.820052 O\n0.314137 0.547122 0.570215 O\n0.177505 0.954686 0.179948 O\n0.759323 0.851171 0.441726 O\n0.259323 0.648829 0.441726 O\n0.967894 0.720352 0.546717 O\n0.864575 0.145164 0.691904 O\n0.135425 0.354836 0.191904 O\n0.759323 0.351171 0.058274 O\n0.864575 0.645164 0.808096 O\n0.322495 0.954686 0.679948 O\n0.740677 0.851171 0.941726 O\n0.685863 0.452878 0.429785 O\n0.364575 0.354836 0.691904 O\n0.677505 0.545314 0.179948 O\n0.314137 0.047122 0.929785 O\n0.322495 0.454686 0.820052 O\n0.169143 0.221600 0.795887 O\n0.330857 0.221600 0.295887 O\n0.532106 0.220352 0.453283 O\n0.740677 0.351171 0.558274 O\n0.635425 0.145164 0.191904 O\n0.814137 0.952878 0.570215 O\n0.169143 0.721600 0.704113 O\n0.240677 0.648829 0.941726 O\n0.635425 0.645164 0.308096 O\n0.685863 0.952878 0.070215 O\n0.259323 0.148829 0.058274 O\n0.185863 0.047122 0.429785 O\n0.669143 0.278400 0.795887 O\n0.177505 0.454686 0.320052 O\n0.830857 0.278400 0.295887 O\n0.830857 0.778400 0.204113 O\n0.814137 0.452878 0.929785 O\n0.240677 0.148829 0.558274 O\n0.185863 0.547122 0.070215 O\n0.330857 0.721600 0.204113 O\n0.032106 0.279648 0.453283 O\n0.467894 0.279648 0.953283 O\n0.669143 0.778400 0.704113 O\n0.467894 0.779648 0.546717 O\n0.532106 0.720352 0.046717 O\n0.032106 0.779648 0.046717 O\n0.364575 0.854836 0.808096 O\n0.677505 0.045314 0.320052 O\n0.967894 0.220352 0.953283 O\n0.135425 0.854836 0.308096 O\n0.822495 0.545314 0.679948 O\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn",
"density": 3.355606080378901,
"density_atomic": 0.06714158856487601,
"volume": 1072.3606864086858,
"volume_molar": 8.969315276449063,
"formula_full": "Si16 Sn8 O48",
"formula_reduced": "Si2SnO6",
"formula_anonymous": "AB2C6",
"energy": -553.72464451,
"energy_per_atom": -7.690620062638889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -520.74864451,
"band_gap": 3.2095,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.77e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.365000Z",
"spacegroup": 61
},
{
"id": "mp-26118",
"created_at": "2022-09-04T14:39:32.762424Z",
"structure_string": "Li4 Mn8 P12 O48\n1.0\n8.492028 0.000000 0.000000\n0.000000 8.225922 0.000000\n0.000000 0.007589 11.707365\nLi Mn P O\n4 8 12 48\ndirect\n0.960539 0.317840 0.679961 Li\n0.648401 0.426605 0.196584 Li\n0.039461 0.817840 0.179961 Li\n0.351599 0.926605 0.696584 Li\n0.220940 0.253575 0.112868 Mn\n0.722729 0.244949 0.391609 Mn\n0.283460 0.253759 0.614216 Mn\n0.776726 0.248381 0.885106 Mn\n0.716540 0.753759 0.114216 Mn\n0.223274 0.748381 0.385106 Mn\n0.779060 0.753575 0.612868 Mn\n0.277271 0.744949 0.891609 Mn\n0.502740 0.964507 0.489403 P\n0.637034 0.890090 0.852035 P\n0.366845 0.890208 0.143479 P\n0.133862 0.611332 0.645423 P\n0.861709 0.613599 0.357792 P\n0.999427 0.532036 0.006782 P\n0.497260 0.464507 0.989403 P\n0.633155 0.390208 0.643479 P\n0.000573 0.032036 0.506782 P\n0.866138 0.111332 0.145423 P\n0.362966 0.390090 0.352035 P\n0.138291 0.113599 0.857792 P\n0.694256 0.273573 0.548010 O\n0.923081 0.934235 0.605437 O\n0.126829 0.937878 0.441074 O\n0.830929 0.931100 0.179050 O\n0.612460 0.901845 0.585440 O\n0.532713 0.837202 0.181164 O\n0.678073 0.857082 0.977645 O\n0.248962 0.863548 0.243311 O\n0.364594 0.069734 0.107617 O\n0.578713 0.066152 0.393818 O\n0.376819 0.059157 0.560369 O\n0.676991 0.067489 0.820106 O\n0.884486 0.095759 0.415206 O\n0.048094 0.117485 0.157601 O\n0.817665 0.140305 0.021263 O\n0.250128 0.129041 0.752708 O\n0.973109 0.171449 0.817011 O\n0.075783 0.183974 0.564708 O\n0.771079 0.227779 0.223589 O\n0.194044 0.228167 0.953763 O\n0.269381 0.274442 0.273723 O\n0.137183 0.932720 0.893396 O\n0.576957 0.315690 0.934649 O\n0.467287 0.337202 0.681164 O\n0.321927 0.357082 0.477645 O\n0.546042 0.375629 0.338035 O\n0.751038 0.363548 0.743311 O\n0.387540 0.401845 0.085440 O\n0.076919 0.434235 0.105437 O\n0.862817 0.432720 0.393396 O\n0.169071 0.431100 0.679050 O\n0.873171 0.437878 0.941074 O\n0.623181 0.559157 0.060369 O\n0.323009 0.567489 0.320106 O\n0.635406 0.569734 0.607617 O\n0.421287 0.566152 0.893818 O\n0.115514 0.595759 0.915206 O\n0.749872 0.629041 0.252708 O\n0.951906 0.617485 0.657601 O\n0.182335 0.640305 0.521263 O\n0.026891 0.671449 0.317011 O\n0.924217 0.683974 0.064708 O\n0.805956 0.728167 0.453763 O\n0.228921 0.727779 0.723589 O\n0.305744 0.773573 0.048010 O\n0.730619 0.774442 0.773723 O\n0.423043 0.815690 0.434649 O\n0.453958 0.875629 0.838035 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 3.2627925481805837,
"density_atomic": 0.08803945254351656,
"volume": 817.8151717198775,
"volume_molar": 6.840275110778714,
"formula_full": "Li4 Mn8 P12 O48",
"formula_reduced": "LiMn2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -553.7613157000001,
"energy_per_atom": -7.691129384722223,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -507.4413157,
"band_gap": 0.7523,
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"is_magnetic": true,
"total_magnetization": 23.9969667,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.750000Z",
"spacegroup": 7
},
{
"id": "mp-778207",
"created_at": "2022-09-04T14:43:38.646782Z",
"structure_string": "Mn4 H32 S8 O48\n1.0\n4.675649 10.469418 0.000000\n-4.675649 10.469418 0.000000\n0.000000 4.402379 10.110437\nMn H S O\n4 32 8 48\ndirect\n0.000000 0.500000 0.000000 Mn\n0.749388 0.250612 0.750000 Mn\n0.500000 0.000000 0.500000 Mn\n0.250612 0.749388 0.250000 Mn\n0.981943 0.747916 0.979226 H\n0.246469 0.484832 0.965758 H\n0.653001 0.094314 0.960420 H\n0.996507 0.965023 0.833462 H\n0.462926 0.496701 0.833183 H\n0.193813 0.209172 0.950891 H\n0.721953 0.681378 0.949187 H\n0.604822 0.131460 0.819309 H\n0.868540 0.395178 0.680691 H\n0.318622 0.278047 0.550813 H\n0.747916 0.981943 0.479226 H\n0.790828 0.806187 0.549109 H\n0.484832 0.246469 0.465758 H\n0.094314 0.653001 0.460420 H\n0.965023 0.996507 0.333462 H\n0.496701 0.462926 0.333183 H\n0.503299 0.537074 0.666817 H\n0.034977 0.003493 0.666538 H\n0.905686 0.346999 0.539580 H\n0.515168 0.753531 0.534242 H\n0.209172 0.193813 0.450891 H\n0.252084 0.018057 0.520774 H\n0.681378 0.721953 0.449187 H\n0.131460 0.604822 0.319309 H\n0.395178 0.868540 0.180691 H\n0.278047 0.318622 0.050813 H\n0.806187 0.790828 0.049109 H\n0.537074 0.503299 0.166817 H\n0.003493 0.034977 0.166538 H\n0.346999 0.905686 0.039580 H\n0.753531 0.515168 0.034242 H\n0.018057 0.252084 0.020774 H\n0.230098 0.733421 0.967146 S\n0.500327 0.981317 0.799575 S\n0.018683 0.499673 0.700425 S\n0.733421 0.230098 0.467146 S\n0.266579 0.769902 0.532854 S\n0.981317 0.500327 0.299575 S\n0.499673 0.018683 0.200425 S\n0.769902 0.266579 0.032854 S\n0.061869 0.826099 0.951001 O\n0.321967 0.566885 0.948879 O\n0.911700 0.717170 0.994302 O\n0.221584 0.411124 0.976787 O\n0.639856 0.160758 0.868840 O\n0.955033 0.044967 0.750000 O\n0.543478 0.456522 0.750000 O\n0.360923 0.033818 0.910235 O\n0.013960 0.558172 0.809023 O\n0.637192 0.817337 0.836862 O\n0.536674 0.093133 0.749231 O\n0.717439 0.216226 0.614544 O\n0.191608 0.698493 0.615812 O\n0.301507 0.808392 0.884188 O\n0.783774 0.282561 0.885456 O\n0.906867 0.463326 0.750769 O\n0.182663 0.362808 0.663138 O\n0.441828 0.986040 0.690977 O\n0.966182 0.639077 0.589765 O\n0.826099 0.061869 0.451001 O\n0.566885 0.321967 0.448879 O\n0.717170 0.911700 0.494302 O\n0.411124 0.221584 0.476787 O\n0.839242 0.360144 0.631160 O\n0.160758 0.639856 0.368840 O\n0.588876 0.778416 0.523213 O\n0.282830 0.088300 0.505698 O\n0.044967 0.955033 0.250000 O\n0.456522 0.543478 0.250000 O\n0.433115 0.678033 0.551121 O\n0.173901 0.938131 0.548999 O\n0.033818 0.360923 0.410235 O\n0.558172 0.013960 0.309023 O\n0.817337 0.637192 0.336862 O\n0.093133 0.536674 0.249231 O\n0.216226 0.717439 0.114544 O\n0.698493 0.191608 0.115812 O\n0.808392 0.301507 0.384188 O\n0.282561 0.783774 0.385456 O\n0.463326 0.906867 0.250769 O\n0.362808 0.182663 0.163138 O\n0.986040 0.441828 0.190977 O\n0.639077 0.966182 0.089765 O\n0.360144 0.839242 0.131160 O\n0.778416 0.588876 0.023213 O\n0.088300 0.282830 0.005698 O\n0.678033 0.433115 0.051121 O\n0.938131 0.173901 0.048999 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Mn-O-S",
"density": 2.1414339734119676,
"density_atomic": 0.09294445031596371,
"volume": 989.8385507391451,
"volume_molar": 6.479290306766885,
"formula_full": "Mn4 H32 S8 O48",
"formula_reduced": "MnH8(SO6)2",
"formula_anonymous": "AB2C8D12",
"energy": -553.7653943500001,
"energy_per_atom": -6.01918906902174,
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"energy_uncorrected": -514.11739435,
"band_gap": 0.247,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:22.935000Z",
"spacegroup": 15
},
{
"id": "mp-1245450",
"created_at": "2022-09-04T14:48:28.614001Z",
"structure_string": "Ca32 Mn12 N36\n1.0\n7.189575 0.000000 -0.004771\n0.000000 10.120092 0.000000\n-5.002530 0.000000 17.314518\nCa Mn N\n32 12 36\ndirect\n0.516843 0.873299 0.076105 Ca\n0.483157 0.373299 0.423895 Ca\n0.483157 0.126701 0.923895 Ca\n0.516843 0.626701 0.576105 Ca\n0.522430 0.126616 0.581072 Ca\n0.477570 0.626616 0.918928 Ca\n0.477570 0.873384 0.418928 Ca\n0.522430 0.373384 0.081072 Ca\n0.721529 0.875042 0.716619 Ca\n0.278471 0.375042 0.783381 Ca\n0.278471 0.124958 0.283381 Ca\n0.721529 0.624958 0.216619 Ca\n0.749741 0.364767 0.729969 Ca\n0.250259 0.864767 0.770031 Ca\n0.250259 0.635233 0.270031 Ca\n0.749741 0.135233 0.229969 Ca\n0.775913 0.381180 0.929251 Ca\n0.224087 0.881180 0.570749 Ca\n0.224087 0.618820 0.070749 Ca\n0.775913 0.118820 0.429251 Ca\n0.924107 0.120908 0.854230 Ca\n0.075893 0.620908 0.645770 Ca\n0.075893 0.879092 0.145770 Ca\n0.924107 0.379092 0.354230 Ca\n0.016183 0.120346 0.646137 Ca\n0.983817 0.620346 0.853863 Ca\n0.983817 0.879654 0.353863 Ca\n0.016183 0.379654 0.146137 Ca\n0.188884 0.370905 0.549711 Ca\n0.811116 0.870905 0.950289 Ca\n0.811116 0.629095 0.450289 Ca\n0.188884 0.129095 0.049711 Ca\n0.541111 0.124000 0.745074 Mn\n0.458889 0.624000 0.754926 Mn\n0.458889 0.876000 0.254927 Mn\n0.541111 0.376000 0.245073 Mn\n0.799475 0.867474 0.561556 Mn\n0.200525 0.367474 0.938444 Mn\n0.200525 0.132526 0.438444 Mn\n0.799475 0.632526 0.061556 Mn\n0.795462 0.382865 0.569722 Mn\n0.204538 0.882865 0.930278 Mn\n0.204538 0.617135 0.430278 Mn\n0.795462 0.117135 0.069722 Mn\n0.559981 0.377696 0.578127 N\n0.440019 0.877696 0.921873 N\n0.440019 0.622304 0.421873 N\n0.559981 0.122304 0.078127 N\n0.575078 0.232671 0.819102 N\n0.424922 0.732671 0.680898 N\n0.424922 0.767329 0.180898 N\n0.575078 0.267329 0.319102 N\n0.829086 0.116028 0.977844 N\n0.170914 0.616028 0.522156 N\n0.170914 0.883972 0.022156 N\n0.829086 0.383972 0.477844 N\n0.563589 0.880695 0.564049 N\n0.436411 0.380695 0.935951 N\n0.436411 0.119305 0.435951 N\n0.563589 0.619305 0.064049 N\n0.753224 0.115518 0.713458 N\n0.246777 0.615518 0.786542 N\n0.246777 0.884482 0.286542 N\n0.753224 0.384482 0.213458 N\n0.005129 0.374103 0.650827 N\n0.994871 0.874103 0.849173 N\n0.994871 0.625897 0.349173 N\n0.005129 0.125897 0.150827 N\n0.021269 0.355007 0.849661 N\n0.978731 0.855007 0.650339 N\n0.978731 0.644993 0.150339 N\n0.021269 0.144993 0.349661 N\n0.149937 0.129204 0.525523 N\n0.850063 0.629204 0.974477 N\n0.850063 0.870796 0.474477 N\n0.149937 0.370796 0.025523 N\n0.341997 0.042067 0.693228 N\n0.658003 0.542067 0.806772 N\n0.658003 0.957933 0.306772 N\n0.341997 0.457933 0.193228 N\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"N"
],
"chemical_system": "Ca-Mn-N",
"density": 3.2247023026216715,
"density_atomic": 0.0635148352659147,
"volume": 1259.5482561683048,
"volume_molar": 9.481471115822586,
"formula_full": "Ca32 Mn12 N36",
"formula_reduced": "Ca8(MnN3)3",
"formula_anonymous": "A3B8C9",
"energy": -553.76895733,
"energy_per_atom": -6.922111966625001,
"energy_above_hull": null,
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"energy_uncorrected": -540.77295733,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:24.996000Z",
"spacegroup": 14
},
{
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{
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