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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11573",
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"results": [
{
"id": "mp-1219249",
"created_at": "2022-09-04T14:45:37.814182Z",
"structure_string": "Si3 P3 Ir1\n1.0\n4.929493 0.000000 0.000000\n-0.462050 4.926007 0.000000\n-1.693939 -1.933158 4.871632\nSi P Ir\n3 3 1\ndirect\n0.413324 0.401985 0.638928 Si\n0.594202 0.590467 0.364038 Si\n0.289303 0.843251 0.842453 Si\n0.158671 0.706281 0.154963 P\n0.845611 0.293029 0.849642 P\n0.707017 0.160448 0.150015 P\n0.997671 0.998739 0.499962 Ir\n",
"nsites": 7,
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"elements": [
"Si",
"P",
"Ir"
],
"chemical_system": "Ir-P-Si",
"density": 5.18523095613885,
"density_atomic": 0.05917336768050118,
"volume": 118.29646130326027,
"volume_molar": 10.177113448258948,
"formula_full": "Si3 P3 Ir1",
"formula_reduced": "Si3P3Ir",
"formula_anonymous": "AB3C3",
"energy": -43.91924068,
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"updated_at": "2021-11-28T01:37:10.127000Z",
"spacegroup": 1
},
{
"id": "mp-1075734",
"created_at": "2022-09-04T14:45:37.942790Z",
"structure_string": "Mg10 Si18\n1.0\n5.594988 0.000000 0.000000\n2.601502 6.872357 0.000000\n2.694254 2.279951 12.762576\nMg Si\n10 18\ndirect\n0.512517 0.210979 0.325836 Mg\n0.805814 0.548261 0.618362 Mg\n0.648612 0.410294 0.463716 Mg\n0.222242 0.705129 0.599966 Mg\n0.075719 0.975994 0.374775 Mg\n0.183835 0.157769 0.541732 Mg\n0.398578 0.518954 0.823599 Mg\n0.233004 0.624527 0.056649 Mg\n0.420780 0.985246 0.900154 Mg\n0.455059 0.657340 0.241633 Mg\n0.997733 0.908023 0.860664 Si\n0.703601 0.321281 0.121050 Si\n0.374483 0.263692 0.693635 Si\n0.863265 0.736953 0.291870 Si\n0.823130 0.161244 0.715916 Si\n0.031074 0.967602 0.148294 Si\n0.827154 0.702318 0.786949 Si\n0.318554 0.176108 0.161528 Si\n0.971017 0.324914 0.827176 Si\n0.149177 0.517020 0.418104 Si\n0.699567 0.875874 0.083808 Si\n0.666971 0.199870 0.968203 Si\n0.409349 0.894788 0.712926 Si\n0.967091 0.385530 0.271915 Si\n0.769606 0.613852 0.985256 Si\n0.159147 0.311777 0.994276 Si\n0.567509 0.843739 0.448761 Si\n0.745293 0.000972 0.563442 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.5330824508261918,
"density_atomic": 0.057057773259200625,
"volume": 490.73068226483883,
"volume_molar": 10.55446158517748,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -107.0739932,
"energy_per_atom": -3.8240711857142857,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -108.3519932,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0014862,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:06.236000Z",
"spacegroup": 1
},
{
"id": "mp-1393933",
"created_at": "2022-09-04T14:45:38.296508Z",
"structure_string": "Zn1 Mo4 O8\n1.0\n3.236802 0.000000 0.000000\n1.455479 7.407049 0.000000\n1.549478 0.445631 7.720138\nZn Mo O\n1 4 8\ndirect\n0.173025 0.930109 0.878959 Zn\n0.386900 0.819304 0.446090 Mo\n0.894187 0.510433 0.789061 Mo\n0.213112 0.498032 0.157988 Mo\n0.685668 0.194602 0.497985 Mo\n0.186222 0.317956 0.366487 O\n0.577975 0.645610 0.254262 O\n0.510321 0.368915 0.682191 O\n0.909566 0.698177 0.572559 O\n0.854183 0.973665 0.347286 O\n0.271427 0.653031 0.913704 O\n0.202905 0.036399 0.619575 O\n0.838741 0.377661 0.043208 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Mo",
"O"
],
"chemical_system": "Mo-O-Zn",
"density": 5.17800025594637,
"density_atomic": 0.07023554186074164,
"volume": 185.09147442438095,
"volume_molar": 8.574207018919708,
"formula_full": "Zn1 Mo4 O8",
"formula_reduced": "Zn(MoO2)4",
"formula_anonymous": "AB4C8",
"energy": -107.09600091,
"energy_per_atom": -8.238153916153847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -88.79200091,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.9012961,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.881000Z",
"spacegroup": 1
},
{
"id": "mp-1223849",
"created_at": "2022-09-04T14:45:37.939423Z",
"structure_string": "K5 Na3 Mo4 O16\n1.0\n6.120705 0.000000 0.000000\n-3.055610 5.303163 0.000000\n-0.079229 -0.064274 15.350345\nK Na Mo O\n5 3 4 16\ndirect\n0.054865 0.054900 0.750909 K\n0.945213 0.945238 0.249905 K\n0.355469 0.692402 0.584264 K\n0.306807 0.643971 0.083704 K\n0.644559 0.307551 0.415834 K\n0.999996 0.000062 0.499991 Na\n0.999933 0.999810 0.999407 Na\n0.684138 0.349583 0.908873 Na\n0.691657 0.359200 0.642140 Mo\n0.359934 0.691964 0.861509 Mo\n0.308476 0.640659 0.360964 Mo\n0.640746 0.308510 0.137528 Mo\n0.394878 0.214920 0.584004 O\n0.213294 0.393703 0.917838 O\n0.606985 0.785492 0.418032 O\n0.783905 0.603630 0.079281 O\n0.846811 0.691365 0.619756 O\n0.694538 0.845932 0.880976 O\n0.152203 0.306387 0.380712 O\n0.305625 0.151323 0.119317 O\n0.871757 0.231904 0.592958 O\n0.237259 0.879187 0.908697 O\n0.126573 0.768542 0.408510 O\n0.767695 0.124846 0.090985 O\n0.637951 0.287693 0.756484 O\n0.280805 0.632754 0.748347 O\n0.367584 0.719370 0.248284 O\n0.720344 0.369107 0.250789 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"K",
"Na",
"Mo",
"O"
],
"chemical_system": "K-Mo-Na-O",
"density": 3.013452972895727,
"density_atomic": 0.05619574930166431,
"volume": 498.2583264384152,
"volume_molar": 10.716363488050591,
"formula_full": "K5 Na3 Mo4 O16",
"formula_reduced": "K5Na3(MoO4)4",
"formula_anonymous": "A3B4C5D16",
"energy": -193.04540756,
"energy_per_atom": -6.894478841428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -169.24540756,
"band_gap": 4.3782,
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"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:07.982000Z",
"spacegroup": 1
},
{
"id": "mp-780230",
"created_at": "2022-09-04T14:45:38.288262Z",
"structure_string": "Hf16 N16 O8\n1.0\n8.719778 0.000000 0.000000\n-2.901598 8.234191 0.000000\n-2.915192 -4.100909 7.144373\nHf N O\n16 16 8\ndirect\n0.998986 0.012264 0.508612 Hf\n0.244238 0.705341 0.461978 Hf\n0.294013 0.043038 0.256123 Hf\n0.775691 0.526872 0.247613 Hf\n0.743982 0.786404 0.037056 Hf\n0.956440 0.740994 0.707593 Hf\n0.002471 0.490500 0.992090 Hf\n0.510139 0.003524 0.011240 Hf\n0.033950 0.258035 0.284928 Hf\n0.487453 0.481696 0.489997 Hf\n0.533075 0.250042 0.786720 Hf\n0.472267 0.749719 0.208276 Hf\n0.250235 0.218309 0.961721 Hf\n0.213823 0.464200 0.748502 Hf\n0.724443 0.974832 0.755692 Hf\n0.752423 0.287995 0.537615 Hf\n0.963600 0.004694 0.736403 N\n0.730334 0.759896 0.272471 N\n0.535237 0.270547 0.042188 N\n0.541241 0.032218 0.268681 N\n0.987596 0.461824 0.229433 N\n0.270910 0.236160 0.724084 N\n0.728740 0.496228 0.457800 N\n0.012626 0.551410 0.778411 N\n0.772758 0.228456 0.766498 N\n0.239993 0.467763 0.016671 N\n0.259956 0.266953 0.226919 N\n0.486348 0.260483 0.533307 N\n0.774058 0.042397 0.030598 N\n0.468609 0.728284 0.953880 N\n0.952279 0.224306 0.484160 N\n0.276675 0.518527 0.547094 N\n0.057350 0.778034 0.522001 O\n0.036770 0.980600 0.261570 O\n0.448994 0.963607 0.722124 O\n0.511623 0.746623 0.470836 O\n0.737300 0.723168 0.773359 O\n0.757333 0.535539 0.979888 O\n0.227894 0.952730 0.963319 O\n0.228149 0.775786 0.242553 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Hf",
"N",
"O"
],
"chemical_system": "Hf-N-O",
"density": 10.384490032517538,
"density_atomic": 0.07797753565431724,
"volume": 512.9682499498866,
"volume_molar": 7.7229175165227,
"formula_full": "Hf16 N16 O8",
"formula_reduced": "Hf2N2O",
"formula_anonymous": "AB2C2",
"energy": -433.49795837,
"energy_per_atom": -10.83744895925,
"energy_above_hull": null,
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"energy_uncorrected": -422.22595837,
"band_gap": 1.9989,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:03.245000Z",
"spacegroup": 1
},
{
"id": "mp-1223304",
"created_at": "2022-09-04T14:45:38.322568Z",
"structure_string": "Mg2 Al16 Fe6 Si20 O73\n1.0\n-8.718908 -4.947230 0.001253\n-0.002601 9.896652 9.426551\n-0.001933 9.900255 -9.430333\nMg Al Fe Si O\n2 16 6 20 73\ndirect\n0.325288 0.206327 0.456470 Mg\n0.674813 0.293772 0.043699 Mg\n0.500287 0.624633 0.875210 Al\n0.499908 0.124864 0.375092 Al\n0.499697 0.374802 0.624572 Al\n0.499762 0.874999 0.124540 Al\n0.500478 0.375316 0.124853 Al\n0.500167 0.875072 0.625049 Al\n0.500123 0.125545 0.875330 Al\n0.500411 0.624709 0.375043 Al\n0.098727 0.928368 0.427833 Al\n0.098653 0.427728 0.927941 Al\n0.901271 0.571777 0.072130 Al\n0.901420 0.072233 0.572199 Al\n0.901229 0.628578 0.628533 Al\n0.901060 0.129055 0.128526 Al\n0.098737 0.371003 0.371468 Al\n0.098876 0.871430 0.871474 Al\n0.676275 0.043677 0.294065 Fe\n0.675426 0.543318 0.793724 Fe\n0.324149 0.705829 0.955601 Fe\n0.323306 0.455919 0.205779 Fe\n0.325910 0.956405 0.706237 Fe\n0.673720 0.793503 0.543447 Fe\n0.381051 0.384586 0.885307 Si\n0.380466 0.884824 0.384873 Si\n0.618720 0.115310 0.614710 Si\n0.619783 0.615190 0.115083 Si\n0.618936 0.444215 0.444768 Si\n0.619258 0.944608 0.944444 Si\n0.381304 0.055890 0.055353 Si\n0.380446 0.555334 0.555408 Si\n0.001056 0.125216 0.375328 Si\n0.999882 0.624950 0.875066 Si\n0.000045 0.875025 0.625107 Si\n0.998915 0.374793 0.124733 Si\n0.729725 0.299481 0.800205 Si\n0.729836 0.799597 0.299720 Si\n0.270442 0.200464 0.699970 Si\n0.269920 0.700226 0.200248 Si\n0.270893 0.184809 0.185511 Si\n0.270153 0.684898 0.684745 Si\n0.729348 0.815178 0.815108 Si\n0.729755 0.315446 0.314690 Si\n0.123987 0.247561 0.398891 O\n0.120908 0.747579 0.898519 O\n0.878230 0.601823 0.752447 O\n0.879171 0.101972 0.252706 O\n0.879102 0.588230 0.937233 O\n0.879369 0.088156 0.437117 O\n0.124029 0.064329 0.413088 O\n0.121522 0.563162 0.912461 O\n0.876013 0.252390 0.101098 O\n0.878443 0.752580 0.601185 O\n0.121253 0.898671 0.747498 O\n0.120609 0.398145 0.247326 O\n0.121966 0.912168 0.563532 O\n0.120678 0.411976 0.062996 O\n0.875957 0.435650 0.086892 O\n0.878119 0.936539 0.587760 O\n0.326452 0.293013 0.792758 O\n0.326525 0.792714 0.293101 O\n0.673441 0.207058 0.707112 O\n0.673658 0.707296 0.206967 O\n0.673535 0.379612 0.379671 O\n0.673256 0.879760 0.879613 O\n0.326910 0.120633 0.120496 O\n0.326310 0.620203 0.620297 O\n0.241033 0.902743 0.403110 O\n0.241472 0.402801 0.903084 O\n0.759223 0.597082 0.097216 O\n0.758383 0.097171 0.596848 O\n0.758721 0.531990 0.532528 O\n0.758441 0.032563 0.032286 O\n0.241815 0.968055 0.967443 O\n0.240974 0.467748 0.467505 O\n0.653392 0.689363 0.831292 O\n0.653184 0.189112 0.330870 O\n0.346856 0.169644 0.311868 O\n0.347405 0.669362 0.811048 O\n0.346657 0.253713 0.611491 O\n0.346820 0.754327 0.112637 O\n0.652387 0.387110 0.745559 O\n0.652633 0.887594 0.245702 O\n0.347019 0.810514 0.668425 O\n0.347037 0.311208 0.169309 O\n0.653167 0.330303 0.188188 O\n0.652916 0.831531 0.689622 O\n0.653465 0.246367 0.888577 O\n0.652712 0.744873 0.386701 O\n0.347258 0.113198 0.755206 O\n0.346936 0.612144 0.254185 O\n0.488456 0.498860 0.640297 O\n0.488159 0.998823 0.140315 O\n0.508798 0.357826 0.499728 O\n0.511494 0.859355 0.000721 O\n0.508711 0.146394 0.504519 O\n0.511793 0.646342 0.004725 O\n0.488839 0.494901 0.853625 O\n0.488260 0.995101 0.353642 O\n0.510671 0.001044 0.858932 O\n0.511890 0.501032 0.359702 O\n0.491443 0.142077 0.000369 O\n0.489106 0.641097 0.499165 O\n0.491230 0.353441 0.995429 O\n0.489063 0.853532 0.495387 O\n0.511003 0.004638 0.646222 O\n0.512019 0.504834 0.146398 O\n0.088153 0.147594 0.647591 O\n0.088040 0.647326 0.147726 O\n0.911823 0.352450 0.852252 O\n0.912018 0.852581 0.352561 O\n0.911957 0.353504 0.353598 O\n0.911577 0.853068 0.852909 O\n0.088509 0.147156 0.147080 O\n0.088022 0.646404 0.646474 O\n0.999995 0.999980 0.999974 O\n",
"nsites": 117,
"nelements": 5,
"elements": [
"Mg",
"Al",
"Fe",
"Si",
"O"
],
"chemical_system": "Al-Fe-Mg-O-Si",
"density": 2.596508606909107,
"density_atomic": 0.07188364196414507,
"volume": 1627.630387152039,
"volume_molar": 8.377623330498183,
"formula_full": "Mg2 Al16 Fe6 Si20 O73",
"formula_reduced": "Mg2Al16Fe6Si20O73",
"formula_anonymous": "A2B6C16D20E73",
"energy": -947.35711644,
"energy_per_atom": -8.097069371282052,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:11.154000Z",
"spacegroup": 1
},
{
"id": "mp-1192045",
"created_at": "2022-09-04T14:45:38.011719Z",
"structure_string": "Ba8 Cu1 Si16\n1.0\n6.906615 0.000000 0.000000\n0.675301 9.035138 0.000000\n0.073928 0.069841 11.907143\nBa Cu Si\n8 1 16\ndirect\n0.730680 0.989427 0.717025 Ba\n0.272101 0.503812 0.194330 Ba\n0.311692 0.989566 0.288606 Ba\n0.665965 0.468293 0.788719 Ba\n0.789799 0.844703 0.085580 Ba\n0.168992 0.654686 0.587580 Ba\n0.252367 0.204135 0.924947 Ba\n0.702100 0.318648 0.410966 Ba\n0.000603 0.035111 0.498025 Cu\n0.767735 0.427159 0.089604 Si\n0.305853 0.056418 0.568928 Si\n0.236970 0.611910 0.921348 Si\n0.785531 0.878613 0.430921 Si\n0.770167 0.201107 0.974887 Si\n0.209915 0.286965 0.455215 Si\n0.289424 0.821717 0.043633 Si\n0.670215 0.677342 0.540651 Si\n0.945068 0.199299 0.150471 Si\n0.022993 0.247729 0.624595 Si\n0.463759 0.792919 0.869295 Si\n0.617926 0.689792 0.347659 Si\n0.125660 0.894057 0.867305 Si\n0.941466 0.700159 0.830775 Si\n0.595304 0.214110 0.148918 Si\n0.357716 0.292324 0.640016 Si\n",
"nsites": 25,
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"elements": [
"Ba",
"Cu",
"Si"
],
"chemical_system": "Ba-Cu-Si",
"density": 3.6014706929033493,
"density_atomic": 0.03364591950378492,
"volume": 743.0321527455263,
"volume_molar": 17.89857685215752,
"formula_full": "Ba8 Cu1 Si16",
"formula_reduced": "Ba8CuSi16",
"formula_anonymous": "AB8C16",
"energy": -110.08269624,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:08.542000Z",
"spacegroup": 1
},
{
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{
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{
"id": "mp-1236085",
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"structure_string": "Li1 Mn9 Cd1 O10\n1.0\n-4.601829 2.328784 2.287389\n2.373094 -4.693383 7.042053\n4.604245 2.274731 2.346397\nLi Mn Cd O\n1 9 1 10\ndirect\n0.615303 0.608640 0.078779 Li\n0.493713 0.361916 0.323980 Mn\n0.991381 0.006065 0.003263 Mn\n0.497500 0.993453 0.519572 Mn\n0.053487 0.599172 0.196150 Mn\n0.993449 0.207887 0.397608 Mn\n0.500933 0.211332 0.904402 Mn\n0.505895 0.597296 0.646700 Mn\n0.005435 0.400142 0.797500 Mn\n0.998742 0.800177 0.602186 Mn\n0.482396 0.848412 0.095760 Cd\n0.759494 0.024701 0.262461 O\n0.746469 0.409234 0.049448 O\n0.743005 0.189913 0.667093 O\n0.762428 0.572861 0.449852 O\n0.247725 0.193154 0.147118 O\n0.227474 0.802190 0.369484 O\n0.761836 0.780254 0.840774 O\n0.225930 0.022069 0.724261 O\n0.256351 0.397843 0.544190 O\n0.262005 0.574853 0.950849 O\n",
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{
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{
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"structure_string": "Mg10 Si18\n1.0\n6.871134 0.000000 0.000000\n3.269379 6.386289 0.000000\n2.881994 0.047340 12.482827\nMg Si\n10 18\ndirect\n0.458777 0.056343 0.277787 Mg\n0.831716 0.914735 0.554911 Mg\n0.103845 0.407231 0.462475 Mg\n0.654458 0.544218 0.635143 Mg\n0.608306 0.364385 0.437070 Mg\n0.315055 0.942538 0.528501 Mg\n0.803739 0.772666 0.829925 Mg\n0.350489 0.809632 0.101236 Mg\n0.212294 0.180969 0.890937 Mg\n0.915259 0.585780 0.051555 Mg\n0.336883 0.715721 0.857285 Si\n0.510374 0.349274 0.103200 Si\n0.079116 0.256147 0.692176 Si\n0.004089 0.810618 0.294197 Si\n0.236224 0.490695 0.753668 Si\n0.963821 0.274003 0.219952 Si\n0.603710 0.185165 0.720953 Si\n0.646611 0.615166 0.253007 Si\n0.821821 0.190173 0.838792 Si\n0.036697 0.077971 0.381594 Si\n0.847828 0.058207 0.147410 Si\n0.977035 0.920735 0.968284 Si\n0.445647 0.931989 0.718449 Si\n0.358437 0.501819 0.274773 Si\n0.272507 0.213937 0.078903 Si\n0.639416 0.503616 0.946519 Si\n0.726670 0.717597 0.405692 Si\n0.238827 0.608812 0.575844 Si\n",
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}