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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11476",
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"results": [
{
"id": "mp-768733",
"created_at": "2022-09-04T14:47:02.081143Z",
"structure_string": "Li3 Mn2 P2 C2 O14\n1.0\n5.063161 0.000000 0.000000\n-0.022867 6.475834 0.000000\n-0.598481 -0.136624 8.292285\nLi Mn P C O\n3 2 2 2 14\ndirect\n0.760292 0.537643 0.265155 Li\n0.246588 0.485778 0.746727 Li\n0.244234 0.018059 0.747849 Li\n0.201583 0.244713 0.330043 Mn\n0.790638 0.749705 0.663783 Mn\n0.276894 0.746807 0.419660 P\n0.729244 0.253241 0.577529 P\n0.282533 0.256551 0.046604 C\n0.709721 0.744263 0.949055 C\n0.046344 0.244623 0.098497 O\n0.664508 0.723463 0.090597 O\n0.468104 0.266000 0.165254 O\n0.204586 0.938808 0.323900 O\n0.168321 0.560615 0.317244 O\n0.844749 0.265603 0.411238 O\n0.582786 0.720893 0.456622 O\n0.418924 0.254110 0.549941 O\n0.157478 0.749871 0.588845 O\n0.827493 0.061922 0.672003 O\n0.827378 0.437543 0.687213 O\n0.519024 0.753319 0.828119 O\n0.328924 0.256461 0.899774 O\n0.945556 0.756192 0.891408 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Li-Mn-O-P",
"density": 2.691291142253024,
"density_atomic": 0.08459333967441032,
"volume": 271.8890173685571,
"volume_molar": 7.1189301464849395,
"formula_full": "Li3 Mn2 P2 C2 O14",
"formula_reduced": "Li3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -174.4904332,
"energy_per_atom": -7.586540573913044,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -161.5364332,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.9682183,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:49.854000Z",
"spacegroup": 1
},
{
"id": "mp-698018",
"created_at": "2022-09-04T14:47:02.190811Z",
"structure_string": "Li2 Al2 Si4 H4 O14\n1.0\n5.063433 0.000000 0.000000\n0.389662 7.634299 0.000000\n0.337431 3.099948 7.920050\nLi Al Si H O\n2 2 4 4 14\ndirect\n0.684076 0.814641 0.294714 Li\n0.164054 0.117353 0.713385 Li\n0.161744 0.062145 0.395669 Al\n0.667068 0.093171 0.905357 Al\n0.176643 0.922549 0.103423 Si\n0.097528 0.503208 0.149043 Si\n0.641841 0.511161 0.912725 Si\n0.662995 0.925720 0.627497 Si\n0.652957 0.516362 0.235283 H\n0.530917 0.388043 0.709342 H\n0.119155 0.478990 0.611279 H\n0.218050 0.387044 0.476569 H\n0.309905 0.953209 0.262559 O\n0.863206 0.994881 0.082723 O\n0.234181 0.703049 0.134809 O\n0.409824 0.450191 0.050565 O\n0.144463 0.309584 0.319745 O\n0.855540 0.942295 0.464209 O\n0.808095 0.583175 0.241391 O\n0.800867 0.034108 0.737042 O\n0.332405 0.045809 0.928415 O\n0.656881 0.352681 0.806180 O\n0.934808 0.483134 0.988946 O\n0.619013 0.704993 0.748273 O\n0.366484 0.013432 0.571608 O\n0.250698 0.391370 0.592451 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"H",
"O"
],
"chemical_system": "Al-H-Li-O-Si",
"density": 2.2140684624591507,
"density_atomic": 0.08492414666342878,
"volume": 306.15556377673306,
"volume_molar": 7.091199613540938,
"formula_full": "Li2 Al2 Si4 H4 O14",
"formula_reduced": "LiAlSi2H2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -185.71275316,
"energy_per_atom": -7.142798198461539,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.09475316,
"band_gap": 3.9817,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:49.728000Z",
"spacegroup": 1
},
{
"id": "mp-776867",
"created_at": "2022-09-04T14:47:02.310047Z",
"structure_string": "Li3 V6 O9 F9\n1.0\n5.113896 0.000000 0.000000\n-2.504866 -4.470339 0.000000\n-0.276526 0.147578 -13.509692\nLi V O F\n3 6 9 9\ndirect\n0.353765 0.681145 0.959208 Li\n0.985693 0.001370 0.289022 Li\n0.664443 0.327090 0.624720 Li\n0.020010 0.971703 0.511877 V\n0.318647 0.718495 0.177458 V\n0.342160 0.624554 0.667496 V\n0.679720 0.352769 0.333527 V\n0.634538 0.310267 0.846149 V\n0.009871 0.019119 0.000416 V\n0.242379 0.945828 0.080563 O\n0.049640 0.712814 0.585771 O\n0.004661 0.627108 0.245965 O\n0.583721 0.579737 0.746357 O\n0.757019 0.654344 0.410545 O\n0.294492 0.330381 0.575822 O\n0.347582 0.291980 0.915221 O\n0.729066 0.048940 0.916409 O\n0.622365 0.024477 0.248781 O\n0.669698 0.954149 0.583380 F\n0.976136 0.379951 0.743519 F\n0.641145 0.740919 0.078601 F\n0.073824 0.371238 0.075533 F\n0.971495 0.662512 0.914245 F\n0.368535 0.385048 0.250119 F\n0.329407 0.051570 0.412067 F\n0.402450 0.000375 0.745805 F\n0.939052 0.237150 0.412613 F\n",
"nsites": 27,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.4488604188245158,
"density_atomic": 0.0874230524764442,
"volume": 308.8430252109424,
"volume_molar": 6.888504335424162,
"formula_full": "Li3 V6 O9 F9",
"formula_reduced": "LiV2(OF)3",
"formula_anonymous": "AB2C3D3",
"energy": -195.63893742,
"energy_per_atom": -7.245886571111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -175.09793742,
"band_gap": 0.9239,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0005647,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.495000Z",
"spacegroup": 1
},
{
"id": "mp-1179984",
"created_at": "2022-09-04T14:47:02.150511Z",
"structure_string": "Pt4 Br12 N8\n1.0\n7.784606 5.976519 -0.164581\n-0.951617 7.072903 5.704400\n8.607930 -1.236092 5.689150\nPt Br N\n4 12 8\ndirect\n0.731360 0.698170 0.797694 Pt\n0.475263 0.452704 0.555759 Pt\n0.238933 0.249170 0.254018 Pt\n0.014789 0.997160 0.998390 Pt\n0.409991 0.113085 0.379009 Br\n0.083148 0.390683 0.124458 Br\n0.869509 0.121654 0.852724 Br\n0.139384 0.868459 0.157723 Br\n0.677946 0.956039 0.539116 Br\n0.928615 0.648862 0.879909 Br\n0.695335 0.376234 0.615224 Br\n0.429269 0.712343 0.294225 Br\n0.458885 0.050956 0.022839 Br\n0.067564 0.480988 0.454728 Br\n0.793597 0.222699 0.206423 Br\n0.260230 0.784082 0.778106 Br\n0.412466 0.366520 0.137709 N\n0.866792 0.863777 0.088987 N\n0.086659 0.139430 0.383909 N\n0.149922 0.125695 0.864406 N\n0.598770 0.586062 0.894953 N\n0.513019 0.598677 0.405145 N\n0.764692 0.846267 0.649168 N\n0.333864 0.350285 0.665381 N\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Pt",
"Br",
"N"
],
"chemical_system": "Br-N-Pt",
"density": 4.367903757444708,
"density_atomic": 0.03410146543595062,
"volume": 703.7820719193668,
"volume_molar": 17.659477922761962,
"formula_full": "Pt4 Br12 N8",
"formula_reduced": "PtBr3N2",
"formula_anonymous": "AB2C3",
"energy": -93.297772,
"energy_per_atom": -3.8874071666666663,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.001772,
"band_gap": 0.0465999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9998046,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.652000Z",
"spacegroup": 1
},
{
"id": "mp-1227547",
"created_at": "2022-09-04T14:47:02.431122Z",
"structure_string": "Cu6 Pb2 Se6 N2 O27\n1.0\n7.949669 0.000000 0.000000\n3.084718 8.770372 0.000000\n1.465462 3.198906 8.880882\nCu Pb Se N O\n6 2 6 2 27\ndirect\n0.443553 0.347085 0.027213 Cu\n0.556590 0.651908 0.973278 Cu\n0.364877 0.096110 0.893744 Cu\n0.634813 0.902913 0.106114 Cu\n0.001237 0.498455 0.499945 Cu\n0.999417 0.999443 0.000970 Cu\n0.468979 0.278477 0.459833 Pb\n0.528586 0.717688 0.555510 Pb\n0.251602 0.083373 0.230135 Se\n0.748185 0.915177 0.768645 Se\n0.163633 0.607848 0.153784 Se\n0.837908 0.389804 0.849120 Se\n0.128347 0.105104 0.644032 Se\n0.872187 0.888843 0.357452 Se\n0.825769 0.381855 0.258345 N\n0.175634 0.616975 0.741593 N\n0.494385 0.819418 0.044051 O\n0.504828 0.179664 0.956151 O\n0.783570 0.276607 0.227857 O\n0.226552 0.719554 0.769890 O\n0.206642 0.010641 0.831921 O\n0.792102 0.987429 0.169373 O\n0.836216 0.703224 0.384250 O\n0.166787 0.291270 0.612772 O\n0.304848 0.259984 0.196560 O\n0.689969 0.740969 0.800390 O\n0.175829 0.484127 0.842843 O\n0.817976 0.518212 0.158917 O\n0.194115 0.512882 0.345562 O\n0.810976 0.487659 0.657091 O\n0.873595 0.348642 0.390629 O\n0.127105 0.651120 0.609414 O\n0.145982 0.800698 0.138742 O\n0.854103 0.198037 0.861770 O\n0.296403 0.032360 0.534353 O\n0.705848 0.957427 0.470755 O\n0.398421 0.530322 0.102918 O\n0.602498 0.468652 0.897970 O\n0.809710 0.880198 0.949520 O\n0.189294 0.116971 0.049613 O\n0.451914 0.928692 0.264179 O\n0.547966 0.070588 0.735270 O\n0.486048 0.478594 0.547526 O\n",
"nsites": 43,
"nelements": 5,
"elements": [
"Cu",
"Pb",
"Se",
"N",
"O"
],
"chemical_system": "Cu-N-O-Pb-Se",
"density": 4.63798915495105,
"density_atomic": 0.06944568962809311,
"volume": 619.1888975439746,
"volume_molar": 8.671727204741938,
"formula_full": "Cu6 Pb2 Se6 N2 O27",
"formula_reduced": "Cu6Pb2Se6N2O27",
"formula_anonymous": "A2B2C6D6E27",
"energy": -247.68712477,
"energy_per_atom": -5.7601656923255815,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -229.13812477,
"band_gap": 0.0156,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.226000Z",
"spacegroup": 1
},
{
"id": "mp-1223622",
"created_at": "2022-09-04T14:47:02.223913Z",
"structure_string": "K1 Al1 Co3 Si3 H2 O12\n1.0\n-5.371252 0.000000 0.000000\n2.680831 4.657896 0.000000\n-0.851843 -1.560698 -10.420862\nK Al Co Si H O\n1 1 3 3 2 12\ndirect\n0.999736 0.006385 0.019515 K\n0.666347 0.409741 0.230227 Al\n0.337133 0.165558 0.494965 Co\n0.663748 0.828985 0.495732 Co\n0.000828 0.503303 0.496193 Co\n0.334110 0.741947 0.224734 Si\n0.331763 0.588819 0.767936 Si\n0.665638 0.253439 0.767852 Si\n0.999866 0.112558 0.307973 H\n0.003975 0.891232 0.694484 H\n0.000021 0.137610 0.400787 O\n0.004547 0.870063 0.601841 O\n0.011898 0.501893 0.169978 O\n0.999031 0.464329 0.826748 O\n0.664200 0.464937 0.399287 O\n0.336060 0.795950 0.384814 O\n0.329182 0.539369 0.613486 O\n0.665247 0.197939 0.613414 O\n0.553939 0.622184 0.168597 O\n0.433732 0.044022 0.168791 O\n0.477345 0.418562 0.825162 O\n0.521653 0.941174 0.827484 O\n",
"nsites": 22,
"nelements": 6,
"elements": [
"K",
"Al",
"Co",
"Si",
"H",
"O"
],
"chemical_system": "Al-Co-H-K-O-Si",
"density": 3.3192379086191894,
"density_atomic": 0.08438275882549913,
"volume": 260.716766152376,
"volume_molar": 7.136695746643691,
"formula_full": "K1 Al1 Co3 Si3 H2 O12",
"formula_reduced": "KAlCo3Si3(HO6)2",
"formula_anonymous": "ABC2D3E3F12",
"energy": -162.23304757999998,
"energy_per_atom": -7.374229435454544,
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"band_gap": 2.6524,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:37:53.420000Z",
"spacegroup": 1
},
{
"id": "mp-1233450",
"created_at": "2022-09-04T14:47:02.232390Z",
"structure_string": "Y1 Th9 Mg1 O20\n1.0\n6.595054 0.004220 4.520753\n-0.885659 6.505770 18.868242\n-0.007400 0.019674 10.559118\nY Th Mg O\n1 9 1 20\ndirect\n0.995749 0.004815 0.993988 Y\n0.010069 0.173025 0.046510 Th\n0.504024 0.001825 0.994006 Th\n0.993378 0.403977 0.993793 Th\n0.500551 0.197462 0.002835 Th\n0.014406 0.601977 0.967913 Th\n0.493643 0.392788 0.014764 Th\n0.009845 0.819248 0.977962 Th\n0.495345 0.602012 0.999013 Th\n0.489161 0.802336 0.004400 Th\n0.801649 0.513564 0.447600 Mg\n0.120962 0.145211 0.259326 O\n0.122112 0.348109 0.253405 O\n0.628455 0.135531 0.277345 O\n0.374585 0.051792 0.747847 O\n0.118874 0.543365 0.266459 O\n0.619796 0.352806 0.246169 O\n0.373131 0.245333 0.759891 O\n0.120897 0.759211 0.238931 O\n0.872983 0.057764 0.739107 O\n0.123741 0.949874 0.248129 O\n0.626089 0.550047 0.246033 O\n0.350310 0.446186 0.765991 O\n0.871530 0.264862 0.733139 O\n0.374005 0.650339 0.747265 O\n0.627318 0.756219 0.241217 O\n0.621933 0.950687 0.253587 O\n0.874386 0.451828 0.740217 O\n0.370495 0.850346 0.754169 O\n0.872660 0.650449 0.745655 O\n0.877917 0.827011 0.793334 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Y",
"Th",
"Mg",
"O"
],
"chemical_system": "Mg-O-Th-Y",
"density": 9.288645989636112,
"density_atomic": 0.06876998131688801,
"volume": 450.7780779691335,
"volume_molar": 8.756932377588312,
"formula_full": "Y1 Th9 Mg1 O20",
"formula_reduced": "YTh9MgO20",
"formula_anonymous": "ABC9D20",
"energy": -299.71020956,
"energy_per_atom": -9.668071276129032,
"energy_above_hull": null,
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"band_gap": 0.4993999999999996,
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"updated_at": "2021-11-28T01:37:50.781000Z",
"spacegroup": 1
},
{
"id": "mp-1228811",
"created_at": "2022-09-04T14:47:02.436991Z",
"structure_string": "B11 Rh18\n1.0\n5.535408 0.000000 0.000000\n-0.051793 6.919309 0.000000\n-0.727902 -3.279696 8.559186\nB Rh\n11 18\ndirect\n0.649577 0.957180 0.456166 B\n0.353622 0.043350 0.545980 B\n0.983565 0.622028 0.185964 B\n0.018997 0.376706 0.808638 B\n0.908999 0.903536 0.779524 B\n0.093937 0.097881 0.222412 B\n0.537754 0.231608 0.941188 B\n0.462260 0.767987 0.058289 B\n0.790008 0.233302 0.269456 B\n0.211107 0.760012 0.726199 B\n0.846173 0.473531 0.454508 B\n0.740313 0.525715 0.973549 Rh\n0.258002 0.473833 0.023412 Rh\n0.574246 0.854934 0.870054 Rh\n0.424813 0.144976 0.129757 Rh\n0.849349 0.560513 0.691081 Rh\n0.150713 0.445025 0.312369 Rh\n0.459272 0.742498 0.543903 Rh\n0.536368 0.257913 0.454508 Rh\n0.338992 0.478628 0.729336 Rh\n0.654133 0.525873 0.268347 Rh\n0.896651 0.184773 0.034604 Rh\n0.104185 0.816793 0.965623 Rh\n0.724067 0.145440 0.720958 Rh\n0.276868 0.853986 0.280368 Rh\n0.231736 0.097588 0.769667 Rh\n0.769025 0.900182 0.229136 Rh\n0.955808 0.800526 0.518403 Rh\n0.041461 0.196681 0.484600 Rh\n",
"nsites": 29,
"nelements": 2,
"elements": [
"B",
"Rh"
],
"chemical_system": "B-Rh",
"density": 9.984799938392701,
"density_atomic": 0.08846127020811342,
"volume": 327.82708106920444,
"volume_molar": 6.807658024616139,
"formula_full": "B11 Rh18",
"formula_reduced": "B11Rh18",
"formula_anonymous": "A11B18",
"energy": -214.37347514,
"energy_per_atom": -7.392188797931035,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:37:53.979000Z",
"spacegroup": 1
},
{
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{
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{
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{
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}