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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy&page=10116",
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"results": [
{
"id": "mp-1209530",
"created_at": "2022-09-04T14:45:33.743695Z",
"structure_string": "Rb8 U4 Br20\n1.0\n8.820253 0.000000 0.000000\n0.000000 9.365547 0.000000\n0.000000 0.000000 14.173746\nRb U Br\n8 4 20\ndirect\n0.536868 0.500252 0.825919 Rb\n0.463132 0.499748 0.174081 Rb\n0.036868 0.499748 0.674081 Rb\n0.463132 0.000252 0.174081 Rb\n0.963132 0.500252 0.325919 Rb\n0.536868 0.999748 0.825919 Rb\n0.963132 0.999748 0.325919 Rb\n0.036868 0.000252 0.674081 Rb\n0.569734 0.750000 0.501132 U\n0.430266 0.250000 0.498868 U\n0.069734 0.250000 0.998868 U\n0.930266 0.750000 0.001132 U\n0.830900 0.750000 0.804149 Br\n0.169100 0.250000 0.195851 Br\n0.330900 0.250000 0.695851 Br\n0.669100 0.750000 0.304149 Br\n0.368477 0.750000 0.666526 Br\n0.631523 0.250000 0.333474 Br\n0.868477 0.250000 0.833474 Br\n0.131523 0.750000 0.166526 Br\n0.908841 0.750000 0.511886 Br\n0.091159 0.250000 0.488114 Br\n0.408841 0.250000 0.988114 Br\n0.591159 0.750000 0.011886 Br\n0.653668 0.040593 0.580863 Br\n0.346332 0.959407 0.419137 Br\n0.153668 0.959407 0.919137 Br\n0.346332 0.540593 0.419137 Br\n0.846332 0.040593 0.080863 Br\n0.653668 0.459407 0.580863 Br\n0.846332 0.459407 0.080863 Br\n0.153668 0.540593 0.919137 Br\n",
"nsites": 32,
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"elements": [
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"U",
"Br"
],
"chemical_system": "Br-Rb-U",
"density": 4.586505898018115,
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"volume": 1170.8434642380619,
"volume_molar": 22.034325467398858,
"formula_full": "Rb8 U4 Br20",
"formula_reduced": "Rb2UBr5",
"formula_anonymous": "AB2C5",
"energy": -147.08763139,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.016000Z",
"spacegroup": 62
},
{
"id": "mp-771816",
"created_at": "2022-09-04T14:45:33.748114Z",
"structure_string": "Gd12 Nb4 O28\n1.0\n7.568209 0.000000 0.000000\n0.000000 7.581032 0.000000\n0.000000 0.000000 10.768487\nGd Nb O\n12 4 28\ndirect\n0.291377 0.010417 0.750000 Gd\n0.462203 0.248965 0.021482 Gd\n0.462203 0.248965 0.478518 Gd\n0.962203 0.251035 0.521482 Gd\n0.962203 0.251035 0.978518 Gd\n0.791377 0.489583 0.250000 Gd\n0.208623 0.510417 0.750000 Gd\n0.037797 0.748965 0.021482 Gd\n0.037797 0.748965 0.478518 Gd\n0.537797 0.751035 0.521482 Gd\n0.537797 0.751035 0.978518 Gd\n0.708623 0.989583 0.250000 Gd\n0.243432 0.997409 0.250000 Nb\n0.743432 0.502591 0.750000 Nb\n0.256568 0.497409 0.250000 Nb\n0.756568 0.002591 0.750000 Nb\n0.547771 0.034963 0.624900 O\n0.547771 0.034963 0.875100 O\n0.081065 0.040842 0.114113 O\n0.081065 0.040842 0.385887 O\n0.830780 0.248614 0.750000 O\n0.229757 0.253427 0.617123 O\n0.229757 0.253427 0.882877 O\n0.729757 0.246573 0.117123 O\n0.729757 0.246573 0.382877 O\n0.330780 0.251386 0.250000 O\n0.581065 0.459158 0.614113 O\n0.581065 0.459158 0.885887 O\n0.047771 0.465037 0.124900 O\n0.047771 0.465037 0.375100 O\n0.952229 0.534963 0.624900 O\n0.952229 0.534963 0.875100 O\n0.418935 0.540842 0.114113 O\n0.418935 0.540842 0.385887 O\n0.669220 0.748614 0.750000 O\n0.270243 0.753427 0.617123 O\n0.270243 0.753427 0.882877 O\n0.770243 0.746573 0.117123 O\n0.770243 0.746573 0.382877 O\n0.169220 0.751386 0.250000 O\n0.918935 0.959158 0.614113 O\n0.918935 0.959158 0.885887 O\n0.452229 0.965037 0.124900 O\n0.452229 0.965037 0.375100 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Gd",
"Nb",
"O"
],
"chemical_system": "Gd-Nb-O",
"density": 7.274421126787792,
"density_atomic": 0.07121583024677486,
"volume": 617.8401606431124,
"volume_molar": 8.45618276039508,
"formula_full": "Gd12 Nb4 O28",
"formula_reduced": "Gd3NbO7",
"formula_anonymous": "AB3C7",
"energy": -510.36859936,
"energy_per_atom": -11.59928634909091,
"energy_above_hull": null,
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"energy_uncorrected": -491.13259936,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:04.427000Z",
"spacegroup": 62
},
{
"id": "mp-1073735",
"created_at": "2022-09-04T14:45:33.759634Z",
"structure_string": "Mg6 Si6\n1.0\n4.563846 0.000000 0.000000\n0.628592 5.368199 0.000000\n1.319858 0.924376 9.264589\nMg Si\n6 6\ndirect\n0.753013 0.156940 0.581728 Mg\n0.773338 0.378644 0.891243 Mg\n0.226662 0.621356 0.108757 Mg\n0.761865 0.088147 0.222789 Mg\n0.238135 0.911853 0.777211 Mg\n0.246987 0.843060 0.418272 Mg\n0.273112 0.339186 0.406592 Si\n0.697111 0.869532 0.938052 Si\n0.726888 0.660814 0.593408 Si\n0.228135 0.437477 0.661986 Si\n0.771865 0.562523 0.338014 Si\n0.302889 0.130468 0.061948 Si\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.2996786070437034,
"density_atomic": 0.05286831879506333,
"volume": 226.9790353371426,
"volume_molar": 11.390830836410723,
"formula_full": "Mg6 Si6",
"formula_reduced": "MgSi",
"formula_anonymous": "AB",
"energy": -40.65152269,
"energy_per_atom": -3.3876268908333333,
"energy_above_hull": null,
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"energy_uncorrected": -41.07752269,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.295000Z",
"spacegroup": 2
},
{
"id": "mp-1025204",
"created_at": "2022-09-04T14:45:34.267034Z",
"structure_string": "Al2 Fe1 S4\n1.0\n12.377258 -1.798052 0.000000\n12.377258 1.798052 0.000000\n12.116054 0.000000 3.103344\nAl Fe S\n2 1 4\ndirect\n0.298179 0.298179 0.298179 Al\n0.532866 0.532866 0.532866 Al\n0.061032 0.061032 0.061032 Fe\n0.996649 0.996649 0.996649 S\n0.173475 0.173475 0.173475 S\n0.417255 0.417255 0.417255 S\n0.593344 0.593344 0.593344 S\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Al",
"Fe",
"S"
],
"chemical_system": "Al-Fe-S",
"density": 2.861960634630913,
"density_atomic": 0.05067706262844411,
"volume": 138.12955283779664,
"volume_molar": 11.883365861500982,
"formula_full": "Al2 Fe1 S4",
"formula_reduced": "Al2FeS4",
"formula_anonymous": "AB2C4",
"energy": -39.7105448,
"energy_per_atom": -5.672934971428572,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -37.6985448,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.257000Z",
"spacegroup": 160
},
{
"id": "mp-757122",
"created_at": "2022-09-04T14:45:33.494497Z",
"structure_string": "Mn5 Si4 O14\n1.0\n-5.681907 0.000000 0.000000\n2.363359 7.327697 0.000000\n-0.197289 -3.452962 -7.266507\nMn Si O\n5 4 14\ndirect\n0.000000 0.000000 0.000000 Mn\n0.089262 0.394247 0.802054 Mn\n0.643648 0.579743 0.692092 Mn\n0.356352 0.420257 0.307908 Mn\n0.910738 0.605753 0.197946 Mn\n0.499793 0.223579 0.858249 Si\n0.772374 0.212947 0.386227 Si\n0.227626 0.787053 0.613773 Si\n0.500207 0.776421 0.141751 Si\n0.788930 0.344781 0.960875 O\n0.859951 0.232335 0.583253 O\n0.527240 0.010566 0.276537 O\n0.418630 0.345522 0.757357 O\n0.996873 0.191157 0.248636 O\n0.688680 0.407639 0.410422 O\n0.299124 0.213203 0.011827 O\n0.700876 0.786797 0.988173 O\n0.311320 0.592361 0.589578 O\n0.003127 0.808843 0.751364 O\n0.581370 0.654478 0.242643 O\n0.472760 0.989434 0.723463 O\n0.140049 0.767665 0.416747 O\n0.211070 0.655219 0.039125 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Mn",
"Si",
"O"
],
"chemical_system": "Mn-O-Si",
"density": 3.3536668789430335,
"density_atomic": 0.0760222144079009,
"volume": 302.5431471463378,
"volume_molar": 7.9215539916897315,
"formula_full": "Mn5 Si4 O14",
"formula_reduced": "Mn5(Si2O7)2",
"formula_anonymous": "A4B5C14",
"energy": -196.91989647,
"energy_per_atom": -8.561734629130434,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:04.908000Z",
"spacegroup": 2
},
{
"id": "mp-1187536",
"created_at": "2022-09-04T14:45:33.516936Z",
"structure_string": "Th2 Ta2 N6\n1.0\n-2.856808 2.888279 4.010730\n2.856808 -2.888279 4.010730\n2.856808 2.888279 -4.010730\nTh Ta N\n2 2 6\ndirect\n0.235117 0.250000 0.985117 Th\n0.764883 0.750000 0.014883 Th\n0.500000 0.000000 0.500000 Ta\n0.000000 0.500000 0.500000 Ta\n0.354886 0.750000 0.604886 N\n0.645114 0.250000 0.395114 N\n0.809135 0.309135 0.000000 N\n0.190865 0.190865 0.500000 N\n0.190865 0.690865 0.000000 N\n0.809135 0.809135 0.500000 N\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Th",
"Ta",
"N"
],
"chemical_system": "N-Ta-Th",
"density": 11.415439615334432,
"density_atomic": 0.07554337545121505,
"volume": 132.37428087202528,
"volume_molar": 7.971765524151117,
"formula_full": "Th2 Ta2 N6",
"formula_reduced": "ThTaN3",
"formula_anonymous": "ABC3",
"energy": -105.12073558,
"energy_per_atom": -10.512073558,
"energy_above_hull": null,
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"total_magnetization": 2.04e-05,
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"updated_at": "2021-11-28T01:37:09.893000Z",
"spacegroup": 74
},
{
"id": "mp-657543",
"created_at": "2022-09-04T14:45:33.570419Z",
"structure_string": "Sr4 Al8 Si8 O32\n1.0\n5.679526 7.471519 0.000000\n-5.679526 7.471519 0.000000\n0.000000 1.884553 9.463846\nSr Al Si O\n4 8 8 32\ndirect\n0.948839 0.634012 0.777793 Sr\n0.051161 0.365988 0.222207 Sr\n0.365988 0.051161 0.722207 Sr\n0.634012 0.948839 0.277793 Sr\n0.858619 0.969812 0.886136 Al\n0.265830 0.530995 0.964316 Al\n0.030188 0.141381 0.613864 Al\n0.530995 0.265830 0.464316 Al\n0.969812 0.858619 0.386136 Al\n0.734170 0.469005 0.035684 Al\n0.141381 0.030188 0.113864 Al\n0.469005 0.734170 0.535684 Al\n0.759469 0.003302 0.613203 Si\n0.240531 0.996698 0.386797 Si\n0.519687 0.720300 0.867397 Si\n0.480313 0.279700 0.132603 Si\n0.996698 0.240531 0.886797 Si\n0.003302 0.759469 0.113203 Si\n0.279700 0.480313 0.632603 Si\n0.720300 0.519687 0.367397 Si\n0.312982 0.374677 0.095584 O\n0.876746 0.139995 0.912979 O\n0.636974 0.393447 0.441688 O\n0.625323 0.687018 0.404416 O\n0.232470 0.485405 0.802992 O\n0.604156 0.079417 0.541639 O\n0.606553 0.363026 0.058312 O\n0.127494 0.970034 0.715114 O\n0.139995 0.876746 0.412979 O\n0.843428 0.847965 0.541741 O\n0.363026 0.606553 0.558312 O\n0.959667 0.719864 0.284299 O\n0.374677 0.312982 0.595584 O\n0.152035 0.156572 0.958259 O\n0.920583 0.395844 0.958361 O\n0.719864 0.959667 0.784299 O\n0.767530 0.514595 0.197008 O\n0.393447 0.636974 0.941688 O\n0.079417 0.604156 0.041639 O\n0.687018 0.625323 0.904416 O\n0.156572 0.152035 0.458259 O\n0.860005 0.123254 0.587021 O\n0.280136 0.040333 0.215701 O\n0.040333 0.280136 0.715701 O\n0.514595 0.767530 0.697008 O\n0.123254 0.860005 0.087021 O\n0.395844 0.920583 0.458361 O\n0.970034 0.127494 0.215114 O\n0.872506 0.029966 0.284886 O\n0.485405 0.232470 0.302992 O\n0.847965 0.843428 0.041741 O\n0.029966 0.872506 0.784886 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
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"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si-Sr",
"density": 2.693852992885941,
"density_atomic": 0.06474178752273362,
"volume": 803.1906746742292,
"volume_molar": 9.301783269245337,
"formula_full": "Sr4 Al8 Si8 O32",
"formula_reduced": "SrAl2(SiO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -378.05502019,
"energy_per_atom": -7.2702888498076925,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:04.112000Z",
"spacegroup": 15
},
{
"id": "mp-1224029",
"created_at": "2022-09-04T14:45:33.575768Z",
"structure_string": "K3 Ti8 O17\n1.0\n1.916208 7.895182 0.000000\n-1.916208 7.895182 0.000000\n0.000000 1.127652 12.157126\nK Ti O\n3 8 17\ndirect\n0.557642 0.557642 0.168405 K\n0.443283 0.443283 0.824602 K\n0.509857 0.509857 0.462430 K\n0.847764 0.847764 0.323967 Ti\n0.151346 0.151346 0.674674 Ti\n0.757892 0.757892 0.830110 Ti\n0.241492 0.241492 0.170260 Ti\n0.888154 0.888154 0.069593 Ti\n0.111305 0.111305 0.929145 Ti\n0.804064 0.804064 0.578200 Ti\n0.198883 0.198883 0.423195 Ti\n0.828133 0.828133 0.935923 O\n0.171879 0.171879 0.064516 O\n0.725729 0.725729 0.432627 O\n0.274507 0.274507 0.566932 O\n0.637208 0.637208 0.912401 O\n0.362662 0.362662 0.088978 O\n0.686093 0.686093 0.673946 O\n0.314676 0.314676 0.325947 O\n0.892528 0.892528 0.462863 O\n0.107913 0.107913 0.536035 O\n0.000016 0.000016 0.000273 O\n0.850412 0.850412 0.708138 O\n0.148542 0.148542 0.294833 O\n0.770854 0.770854 0.185992 O\n0.228703 0.228703 0.814488 O\n0.937874 0.937874 0.226437 O\n0.063491 0.063491 0.776112 O\n",
"nsites": 28,
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"elements": [
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"Ti",
"O"
],
"chemical_system": "K-O-Ti",
"density": 3.485979494803081,
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"volume": 367.84572092258804,
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"formula_full": "K3 Ti8 O17",
"formula_reduced": "K3Ti8O17",
"formula_anonymous": "A3B8C17",
"energy": -243.18957151,
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"spacegroup": 8
},
{
"id": "mp-1213734",
"created_at": "2022-09-04T14:45:33.580027Z",
"structure_string": "Cs6 Nb12 S2 Br34\n1.0\n9.810698 8.850921 0.000000\n-9.810698 8.850921 0.000000\n0.000000 0.060123 9.718713\nCs Nb S Br\n6 12 2 34\ndirect\n0.274475 0.169284 0.837408 Cs\n0.725525 0.830716 0.162592 Cs\n0.830716 0.725525 0.662592 Cs\n0.169284 0.274475 0.337408 Cs\n0.452581 0.547419 0.750000 Cs\n0.547419 0.452581 0.250000 Cs\n0.802762 0.164499 0.522113 Nb\n0.197238 0.835501 0.477887 Nb\n0.835501 0.197238 0.977887 Nb\n0.164499 0.802762 0.022113 Nb\n0.617116 0.239160 0.642926 Nb\n0.382884 0.760840 0.357074 Nb\n0.760840 0.382884 0.857074 Nb\n0.239160 0.617116 0.142926 Nb\n0.695680 0.052545 0.758851 Nb\n0.304320 0.947455 0.241149 Nb\n0.947455 0.304320 0.741149 Nb\n0.052545 0.695680 0.258851 Nb\n0.776877 0.223123 0.750000 S\n0.223123 0.776877 0.250000 S\n0.870437 0.010549 0.885715 Br\n0.129563 0.989451 0.114285 Br\n0.989451 0.129563 0.614285 Br\n0.010549 0.870437 0.385715 Br\n0.359226 0.800109 0.617075 Br\n0.640774 0.199891 0.382925 Br\n0.199891 0.640774 0.882925 Br\n0.800109 0.359226 0.117075 Br\n0.649670 0.099310 0.020411 Br\n0.350330 0.900690 0.979589 Br\n0.900690 0.350330 0.479589 Br\n0.099310 0.649670 0.520411 Br\n0.561507 0.309860 0.891624 Br\n0.438493 0.690140 0.108376 Br\n0.690140 0.438493 0.608376 Br\n0.309860 0.561507 0.391624 Br\n0.434637 0.306524 0.558182 Br\n0.565363 0.693476 0.441818 Br\n0.693476 0.565363 0.941818 Br\n0.306524 0.434637 0.058182 Br\n0.119736 0.880264 0.750000 Br\n0.880264 0.119736 0.250000 Br\n0.507960 0.064558 0.680768 Br\n0.492040 0.935442 0.319232 Br\n0.935442 0.492040 0.819232 Br\n0.064558 0.507960 0.180768 Br\n0.627533 0.856625 0.825589 Br\n0.372467 0.143375 0.174411 Br\n0.143375 0.372467 0.674411 Br\n0.856625 0.627533 0.325589 Br\n0.742075 0.969326 0.522997 Br\n0.257925 0.030674 0.477003 Br\n0.030674 0.257925 0.977003 Br\n0.969326 0.742075 0.022997 Br\n",
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"nelements": 4,
"elements": [
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"S",
"Br"
],
"chemical_system": "Br-Cs-Nb-S",
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"volume": 1687.8238698264186,
"volume_molar": 18.822801707745572,
"formula_full": "Cs6 Nb12 S2 Br34",
"formula_reduced": "Cs3Nb6SBr17",
"formula_anonymous": "AB3C6D17",
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"energy_uncorrected": -253.53705048,
"band_gap": 0.5779999999999998,
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"updated_at": "2021-11-28T01:37:00.347000Z",
"spacegroup": 15
},
{
"id": "mp-769036",
"created_at": "2022-09-04T14:45:33.582849Z",
"structure_string": "Li32 Nb8 S36\n1.0\n7.253020 0.000000 0.000000\n3.591608 10.311927 0.000000\n3.567078 0.237706 18.359155\nLi Nb S\n32 8 36\ndirect\n0.086585 0.125272 0.041281 Li\n0.781854 0.627461 0.048943 Li\n0.286687 0.625876 0.052748 Li\n0.503320 0.123125 0.039451 Li\n0.590140 0.400416 0.157812 Li\n0.868164 0.851770 0.158340 Li\n0.162697 0.626368 0.239507 Li\n0.712449 0.634349 0.240840 Li\n0.957596 0.125493 0.257031 Li\n0.413775 0.118492 0.257806 Li\n0.533398 0.342978 0.339413 Li\n0.260067 0.891570 0.343469 Li\n0.035812 0.630648 0.460517 Li\n0.828051 0.122077 0.445784 Li\n0.623539 0.624391 0.458085 Li\n0.657376 0.869818 0.548432 Li\n0.342624 0.130182 0.451568 Li\n0.376461 0.375609 0.541915 Li\n0.171949 0.877923 0.554216 Li\n0.964188 0.369352 0.539483 Li\n0.739933 0.108430 0.656531 Li\n0.466602 0.657022 0.660587 Li\n0.586225 0.881508 0.742194 Li\n0.042404 0.874507 0.742969 Li\n0.287551 0.365651 0.759160 Li\n0.837303 0.373632 0.760493 Li\n0.131836 0.148230 0.841660 Li\n0.409860 0.599584 0.842188 Li\n0.496680 0.876875 0.960549 Li\n0.713313 0.374124 0.947252 Li\n0.218146 0.372539 0.951057 Li\n0.913415 0.874728 0.958719 Li\n0.344505 0.864752 0.144237 Nb\n0.123454 0.375076 0.136099 Nb\n0.730448 0.871585 0.364739 Nb\n0.005984 0.356206 0.356384 Nb\n0.994016 0.643794 0.643616 Nb\n0.269552 0.128415 0.635261 Nb\n0.876546 0.624924 0.863901 Nb\n0.655495 0.135248 0.855763 Nb\n0.162809 0.880630 0.052849 S\n0.644309 0.887869 0.067218 S\n0.906736 0.360556 0.059944 S\n0.414536 0.367787 0.054428 S\n0.477740 0.637971 0.152549 S\n0.995206 0.606722 0.141661 S\n0.234765 0.126771 0.153137 S\n0.077557 0.878056 0.246938 S\n0.568254 0.875016 0.254029 S\n0.828196 0.377766 0.251375 S\n0.284744 0.376231 0.248774 S\n0.648949 0.103487 0.344457 S\n0.880420 0.636381 0.346366 S\n0.128104 0.133064 0.358355 S\n0.957937 0.869916 0.442075 S\n0.216104 0.393539 0.432269 S\n0.458126 0.866884 0.450299 S\n0.715358 0.385964 0.442622 S\n0.284642 0.614036 0.557378 S\n0.541874 0.133116 0.549701 S\n0.783896 0.606461 0.567731 S\n0.042063 0.130084 0.557925 S\n0.871896 0.866936 0.641645 S\n0.119580 0.363619 0.653634 S\n0.351051 0.896513 0.655543 S\n0.715256 0.623769 0.751226 S\n0.171804 0.622234 0.748625 S\n0.431746 0.124984 0.745971 S\n0.922443 0.121944 0.753062 S\n0.765235 0.873229 0.846863 S\n0.004794 0.393278 0.858339 S\n0.522260 0.362029 0.847451 S\n0.585464 0.632213 0.945572 S\n0.093264 0.639444 0.940056 S\n0.355691 0.112131 0.932782 S\n0.837191 0.119370 0.947151 S\n",
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"elements": [
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"Nb",
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],
"chemical_system": "Li-Nb-S",
"density": 2.5633784371062327,
"density_atomic": 0.05534803398121422,
"volume": 1373.1291706909644,
"volume_molar": 10.880496246793495,
"formula_full": "Li32 Nb8 S36",
"formula_reduced": "Li8Nb2S9",
"formula_anonymous": "A2B8C9",
"energy": -395.45434639000007,
"energy_per_atom": -5.203346663026316,
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"band_gap": 0.7982999999999998,
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"updated_at": "2021-11-28T01:36:58.537000Z",
"spacegroup": 2
},
{
"id": "mp-609151",
"created_at": "2022-09-04T14:45:33.583975Z",
"structure_string": "Mg2 W2 O8\n1.0\n5.557303 0.000000 0.000000\n0.000000 5.528066 0.000000\n0.000000 2.579956 4.984666\nMg W O\n2 2 8\ndirect\n0.373528 0.500000 0.750000 Mg\n0.626472 0.500000 0.250000 Mg\n0.851573 0.000000 0.750000 W\n0.148427 0.000000 0.250000 W\n0.363842 0.719894 0.324514 O\n0.636158 0.719894 0.824514 O\n0.636158 0.280106 0.675486 O\n0.881479 0.190075 0.347086 O\n0.118521 0.809925 0.652914 O\n0.881479 0.809925 0.152914 O\n0.363842 0.280106 0.175486 O\n0.118521 0.190075 0.847086 O\n",
"nsites": 12,
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"elements": [
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"W",
"O"
],
"chemical_system": "Mg-O-W",
"density": 5.902041560949424,
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"volume": 153.1346109034862,
"volume_molar": 7.684984850738538,
"formula_full": "Mg2 W2 O8",
"formula_reduced": "MgWO4",
"formula_anonymous": "ABC4",
"energy": -99.1861697,
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"updated_at": "2021-11-28T01:37:09.168000Z",
"spacegroup": 13
},
{
"id": "mp-1213104",
"created_at": "2022-09-04T14:45:33.518758Z",
"structure_string": "Cs4 Sr4 Br12\n1.0\n8.254323 0.000000 0.000000\n0.000000 8.618996 0.000000\n0.000000 0.000000 11.875500\nCs Sr Br\n4 4 12\ndirect\n0.020009 0.436971 0.250000 Cs\n0.979991 0.563029 0.750000 Cs\n0.520009 0.063029 0.750000 Cs\n0.479991 0.936971 0.250000 Cs\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.500000 0.500000 0.500000 Sr\n0.297158 0.207376 0.043149 Br\n0.702842 0.792624 0.956851 Br\n0.797158 0.292624 0.956851 Br\n0.702842 0.792624 0.543149 Br\n0.202842 0.707376 0.043149 Br\n0.297158 0.207376 0.456851 Br\n0.202842 0.707376 0.456851 Br\n0.797158 0.292624 0.543149 Br\n0.584290 0.523068 0.250000 Br\n0.415710 0.476932 0.750000 Br\n0.084290 0.976932 0.750000 Br\n0.915710 0.023068 0.250000 Br\n",
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],
"chemical_system": "Br-Cs-Sr",
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"volume": 844.8702979099924,
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"formula_full": "Cs4 Sr4 Br12",
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"updated_at": "2021-11-28T01:37:02.917000Z",
"spacegroup": 62
}
]
}