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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=124",
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"results": [
{
"id": "mp-1174676",
"created_at": "2022-09-04T14:40:14.541149Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n2.971628 0.000000 0.000000\n0.141821 8.085873 0.000000\n0.777459 2.141641 10.410012\nLi Mn Co O\n8 2 4 14\ndirect\n0.150089 0.076369 0.713059 Li\n0.863280 0.928325 0.281662 Li\n0.563412 0.774715 0.857056 Li\n0.710829 0.367208 0.575116 Li\n0.430895 0.218514 0.143587 Li\n0.272413 0.636267 0.436239 Li\n0.005332 0.496660 0.000313 Li\n0.158413 0.568736 0.706022 Li\n0.004102 0.000868 0.999818 Mn\n0.707333 0.849983 0.574428 Mn\n0.423431 0.712119 0.143783 Co\n0.854370 0.428395 0.286794 Co\n0.585595 0.298453 0.850824 Co\n0.271672 0.144956 0.430355 Co\n0.599609 0.053395 0.860720 O\n0.247917 0.899706 0.445046 O\n0.028012 0.756306 0.002936 O\n0.167987 0.318776 0.725660 O\n0.877945 0.187103 0.293048 O\n0.722806 0.625031 0.568006 O\n0.452313 0.473628 0.151356 O\n0.685080 0.100438 0.561571 O\n0.401878 0.951781 0.142564 O\n0.173863 0.826508 0.696470 O\n0.263712 0.383923 0.420847 O\n0.980016 0.242244 0.995318 O\n0.832443 0.668842 0.276755 O\n0.565253 0.510747 0.860647 O\n",
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"elements": [
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"Mn",
"Co",
"O"
],
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"density": 4.149977938052227,
"density_atomic": 0.11194003633676886,
"volume": 250.13391916152935,
"volume_molar": 5.379791678718539,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.53339752,
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"updated_at": "2021-11-28T01:34:58.722000Z",
"spacegroup": 1
},
{
"id": "mp-1267554",
"created_at": "2022-09-04T14:40:14.481263Z",
"structure_string": "Al8 P8 H34 N7 O36 F5\n1.0\n9.544770 0.015305 -0.004558\n0.015181 9.667916 0.006131\n-0.004713 0.006440 10.022897\nAl P H N O F\n8 8 34 7 36 5\ndirect\n0.102838 0.259016 0.359947 Al\n0.155423 0.470934 0.825625 Al\n0.343405 0.535135 0.323629 Al\n0.390636 0.736721 0.862445 Al\n0.607895 0.237989 0.633004 Al\n0.654553 0.031463 0.173352 Al\n0.846605 0.974494 0.670830 Al\n0.890278 0.765641 0.136496 Al\n0.072776 0.792038 0.854708 P\n0.076875 0.489137 0.140200 P\n0.414890 0.513696 0.640937 P\n0.425019 0.219079 0.352917 P\n0.570556 0.718445 0.144370 P\n0.578715 0.015973 0.855084 P\n0.921205 0.984284 0.358882 P\n0.926196 0.291988 0.641773 P\n0.001734 0.101575 0.036909 H\n0.012104 0.271385 0.997032 H\n0.063802 0.653450 0.633193 H\n0.117907 0.691390 0.470233 H\n0.151284 0.026076 0.699211 H\n0.171844 0.986222 0.226155 H\n0.243042 0.895827 0.095914 H\n0.238557 0.168903 0.749734 H\n0.254649 0.834411 0.254738 H\n0.259098 0.109846 0.591121 H\n0.289809 0.564119 0.009819 H\n0.326912 0.019208 0.723086 H\n0.348374 0.976060 0.207980 H\n0.360511 0.307157 0.958644 H\n0.444402 0.348432 0.105806 H\n0.496582 0.718871 0.492624 H\n0.494615 0.885317 0.542729 H\n0.511583 0.388683 0.952454 H\n0.508086 0.222375 0.005190 H\n0.560777 0.843329 0.389920 H\n0.645423 0.802841 0.538004 H\n0.650923 0.482040 0.300371 H\n0.672172 0.520422 0.765838 H\n0.707954 0.062473 0.487993 H\n0.740761 0.605674 0.900037 H\n0.740331 0.339442 0.252625 H\n0.763679 0.669472 0.743094 H\n0.760052 0.402635 0.410218 H\n0.790805 0.940690 0.989116 H\n0.826075 0.491304 0.276613 H\n0.847485 0.522078 0.790583 H\n0.858345 0.195893 0.037719 H\n0.940505 0.159593 0.887108 H\n0.099816 0.538201 0.513749 H\n0.244410 0.080623 0.689123 N\n0.254477 0.923391 0.194744 N\n0.456958 0.317597 0.006805 N\n0.548816 0.813003 0.489291 N\n0.744748 0.428894 0.311334 N\n0.755535 0.579218 0.801583 N\n0.953783 0.181835 0.988502 N\n0.006474 0.905330 0.768396 O\n0.996356 0.771199 0.987442 O\n0.025032 0.093469 0.299885 O\n0.056738 0.631553 0.527591 O\n0.049208 0.347709 0.210815 O\n0.053900 0.465058 0.989593 O\n0.073273 0.653305 0.773891 O\n0.226720 0.834890 0.886216 O\n0.230390 0.535706 0.165997 O\n0.263975 0.467293 0.669719 O\n0.270856 0.174353 0.384087 O\n0.302562 0.567693 0.911668 O\n0.422814 0.359835 0.279166 O\n0.436738 0.538973 0.489736 O\n0.446330 0.655600 0.709525 O\n0.473848 0.906913 0.801100 O\n0.501533 0.231137 0.486477 O\n0.491325 0.108481 0.262853 O\n0.499523 0.611397 0.235585 O\n0.498985 0.727664 0.007733 O\n0.525825 0.408710 0.693388 O\n0.545710 0.155914 0.783821 O\n0.554800 0.041093 0.005791 O\n0.567323 0.859681 0.216485 O\n0.695139 0.068362 0.586195 O\n0.724440 0.670537 0.120253 O\n0.734048 0.974157 0.831663 O\n0.766053 0.028045 0.332929 O\n0.771676 0.335997 0.612547 O\n0.804107 0.935780 0.087358 O\n0.929361 0.151424 0.714877 O\n0.947915 0.969113 0.508684 O\n0.953515 0.845005 0.287911 O\n0.969277 0.594306 0.194349 O\n0.001606 0.284473 0.506203 O\n0.992178 0.402708 0.732351 O\n0.194115 0.435148 0.405126 F\n0.215711 0.294090 0.865723 F\n0.261840 0.702694 0.368672 F\n0.719022 0.207268 0.138401 F\n0.783169 0.798948 0.637660 F\n",
"nsites": 98,
"nelements": 6,
"elements": [
"Al",
"P",
"H",
"N",
"O",
"F"
],
"chemical_system": "Al-F-H-N-O-P",
"density": 2.274633196702166,
"density_atomic": 0.10595850953869407,
"volume": 924.8903219444799,
"volume_molar": 5.6834894962360964,
"formula_full": "Al8 P8 H34 N7 O36 F5",
"formula_reduced": "Al8P8H34N7O36F5",
"formula_anonymous": "A5B7C8D8E34F36",
"energy": -635.18626846,
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"energy_uncorrected": -605.61726846,
"band_gap": 5.0876,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0064328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.940000Z",
"spacegroup": 1
},
{
"id": "mp-1074788",
"created_at": "2022-09-04T14:40:14.404941Z",
"structure_string": "Mg14 Si8\n1.0\n-5.453032 0.000000 0.000000\n-0.004426 -6.206953 0.000000\n1.390218 3.018789 13.146064\nMg Si\n14 8\ndirect\n0.009694 0.722847 0.809600 Mg\n0.181046 0.201022 0.756976 Mg\n0.745583 0.902405 0.608789 Mg\n0.568382 0.412362 0.654389 Mg\n0.008576 0.351130 0.987298 Mg\n0.719029 0.758843 0.380334 Mg\n0.238059 0.699307 0.237907 Mg\n0.734910 0.270253 0.435573 Mg\n0.503499 0.557258 0.918349 Mg\n0.481235 0.084472 0.969547 Mg\n0.023138 0.876495 0.045754 Mg\n0.364214 0.203142 0.234294 Mg\n0.246075 0.526767 0.435238 Mg\n0.249366 0.040472 0.475775 Mg\n0.548725 0.833559 0.113851 Si\n0.509487 0.820538 0.782105 Si\n0.705688 0.177059 0.803282 Si\n0.897675 0.390205 0.256836 Si\n0.609552 0.453031 0.118288 Si\n0.240085 0.794184 0.625873 Si\n0.046624 0.433466 0.605716 Si\n0.869458 0.002282 0.247926 Si\n",
"nsites": 22,
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"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.108385107745016,
"density_atomic": 0.0494436399758836,
"volume": 444.95105964549975,
"volume_molar": 12.179808693165251,
"formula_full": "Mg14 Si8",
"formula_reduced": "Mg7Si4",
"formula_anonymous": "A4B7",
"energy": -64.70984661,
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"updated_at": "2021-11-28T01:34:57.099000Z",
"spacegroup": 1
},
{
"id": "mp-774867",
"created_at": "2022-09-04T14:40:14.405440Z",
"structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n6.567761 0.000000 0.000000\n-0.052006 10.206410 0.000000\n0.000478 -5.060613 9.130275\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.488020 0.269050 0.268801 Na\n0.011774 0.268559 0.268288 Na\n0.996080 0.736342 0.240711 Na\n0.506206 0.734745 0.237536 Na\n0.740208 0.913195 0.062765 Na\n0.740702 0.916873 0.572581 Na\n0.258478 0.078808 0.927414 Na\n0.011462 0.267174 0.752779 Na\n0.486374 0.267086 0.752611 Na\n0.975206 0.724820 0.738352 Na\n0.750390 0.344907 0.062165 Ni\n0.253799 0.654702 0.441934 Ni\n0.750397 0.347809 0.562093 Ni\n0.252913 0.655209 0.934548 Ni\n0.249502 0.419237 0.069128 P\n0.750816 0.578500 0.430006 P\n0.251901 0.426111 0.571775 P\n0.750413 0.581264 0.934439 P\n0.246666 0.936176 0.110481 C\n0.248187 0.930464 0.611203 C\n0.749804 0.065933 0.389612 C\n0.755215 0.066332 0.887479 C\n0.748092 0.123322 0.030040 O\n0.063706 0.316279 0.053941 O\n0.435872 0.318469 0.055061 O\n0.751392 0.429720 0.283808 O\n0.250728 0.460943 0.440808 O\n0.757047 0.543302 0.063121 O\n0.249395 0.567129 0.215537 O\n0.937201 0.681769 0.446242 O\n0.564949 0.678210 0.441993 O\n0.250234 0.841525 0.160543 O\n0.242580 0.838683 0.663487 O\n0.255415 0.868384 0.469130 O\n0.751025 0.923036 0.308151 O\n0.768000 0.925907 0.803842 O\n0.248999 0.078058 0.193254 O\n0.248881 0.072910 0.694004 O\n0.749319 0.126825 0.532145 O\n0.748917 0.156001 0.334170 O\n0.747900 0.160966 0.836418 O\n0.063545 0.324433 0.552724 O\n0.439132 0.326708 0.554952 O\n0.748491 0.433840 0.787346 O\n0.249530 0.454364 0.938891 O\n0.756470 0.540316 0.556950 O\n0.246966 0.572304 0.717838 O\n0.561712 0.681709 0.959054 O\n0.937500 0.682019 0.947845 O\n0.242643 0.879247 0.968871 O\n",
"nsites": 50,
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"elements": [
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"Ni",
"P",
"C",
"O"
],
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"formula_full": "Na10 Ni4 P4 C4 O28",
"formula_reduced": "Na5Ni2P2(CO7)2",
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"updated_at": "2021-11-28T01:34:52.216000Z",
"spacegroup": 1
},
{
"id": "mp-761159",
"created_at": "2022-09-04T14:40:14.480940Z",
"structure_string": "Mn16 O8 F16\n1.0\n8.835245 0.000000 0.000000\n-2.929307 8.414191 0.000000\n-2.965678 -4.194241 7.295427\nMn O F\n16 8 16\ndirect\n0.727088 0.189613 0.954578 Mn\n0.966931 0.962044 0.961252 Mn\n0.988398 0.481887 0.508666 Mn\n0.488985 0.516047 0.003232 Mn\n0.722378 0.477400 0.736469 Mn\n0.794086 0.041726 0.249915 Mn\n0.535183 0.261588 0.311266 Mn\n0.039001 0.248218 0.768341 Mn\n0.777894 0.729864 0.497444 Mn\n0.249808 0.281862 0.525819 Mn\n0.955415 0.734846 0.192065 Mn\n0.481406 0.775918 0.730845 Mn\n0.483920 0.022680 0.517543 Mn\n0.222730 0.974281 0.751695 Mn\n0.279436 0.531202 0.235270 Mn\n0.228373 0.758836 0.021064 Mn\n0.000951 0.255545 0.521456 O\n0.960741 0.716562 0.956229 O\n0.454497 0.000788 0.731486 O\n0.775954 0.513242 0.536039 O\n0.731741 0.957689 0.976364 O\n0.462297 0.244837 0.508267 O\n0.254784 0.527871 0.991017 O\n0.981175 0.979279 0.733265 O\n0.780278 0.241504 0.738629 F\n0.302195 0.243637 0.772096 F\n0.504669 0.560954 0.780862 F\n0.747723 0.272587 0.220676 F\n0.054873 0.022444 0.266866 F\n0.715168 0.453415 0.009427 F\n0.547556 0.771441 0.498411 F\n0.228317 0.720202 0.767311 F\n0.485960 0.450689 0.222301 F\n0.288801 0.043863 0.045545 F\n0.239517 0.508901 0.456244 F\n0.733012 0.773101 0.244588 F\n0.534803 0.984899 0.269002 F\n0.028819 0.275114 0.059943 F\n0.012679 0.725219 0.442737 F\n0.232456 0.768204 0.285777 F\n",
"nsites": 40,
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"density_atomic": 0.07375276591258935,
"volume": 542.3525410207312,
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"formula_full": "Mn16 O8 F16",
"formula_reduced": "Mn2OF2",
"formula_anonymous": "AB2C2",
"energy": -317.02172044,
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"updated_at": "2021-11-28T01:34:53.668000Z",
"spacegroup": 1
},
{
"id": "mp-1221034",
"created_at": "2022-09-04T14:40:14.511238Z",
"structure_string": "Na3 Gd3 F12\n1.0\n6.115860 0.000000 0.000000\n3.028412 6.383424 0.000000\n3.039721 2.206827 5.993968\nNa Gd F\n3 3 12\ndirect\n0.660001 0.511957 0.137926 Na\n0.666240 0.030254 0.655538 Na\n0.329903 0.422192 0.912560 Na\n0.002011 0.000172 0.998238 Gd\n0.998227 0.500135 0.501679 Gd\n0.336835 0.920180 0.409581 Gd\n0.363656 0.546410 0.493293 F\n0.366416 0.000705 0.035582 F\n0.596308 0.712390 0.652943 F\n0.598137 0.161567 0.201871 F\n0.043505 0.828526 0.766416 F\n0.040730 0.274583 0.321995 F\n0.247799 0.627299 0.126312 F\n0.272292 0.131011 0.625280 F\n0.987502 0.380160 0.878607 F\n0.982713 0.885201 0.379603 F\n0.754539 0.737354 0.232380 F\n0.753187 0.250904 0.749195 F\n",
"nsites": 18,
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"elements": [
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"density": 5.454819868691705,
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"volume": 234.005274978732,
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"formula_full": "Na3 Gd3 F12",
"formula_reduced": "NaGdF4",
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"energy": -140.04391228,
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},
{
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{
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{
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},
{
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"structure_string": "H36 Br4 O16\n1.0\n7.046701 0.000000 0.000000\n-2.724229 -6.851659 0.000000\n-0.188512 0.050772 -11.586152\nH Br O\n36 4 16\ndirect\n0.329108 0.019015 0.664974 H\n0.204389 0.842577 0.748427 H\n0.906168 0.996556 0.236957 H\n0.678845 0.025342 0.173291 H\n0.964549 0.151578 0.816923 H\n0.802355 0.955867 0.746189 H\n0.074524 0.035276 0.733281 H\n0.018516 0.851827 0.312573 H\n0.183690 0.032493 0.242711 H\n0.565475 0.800676 0.839217 H\n0.636118 0.666221 0.756049 H\n0.447954 0.197917 0.334351 H\n0.381534 0.328440 0.246399 H\n0.620521 0.380703 0.825237 H\n0.639855 0.368945 0.688142 H\n0.075687 0.481178 0.258100 H\n0.368300 0.643682 0.184472 H\n0.384876 0.624134 0.321839 H\n0.128309 0.536030 0.841826 H\n0.946903 0.539152 0.761785 H\n0.822473 0.203258 0.257075 H\n0.903492 0.492634 0.342589 H\n0.163481 0.340400 0.558620 H\n0.197183 0.511924 0.668305 H\n0.353432 0.565067 0.551375 H\n0.642722 0.441892 0.053101 H\n0.808184 0.504355 0.168686 H\n0.832976 0.668327 0.057620 H\n0.500923 0.844587 0.475770 H\n0.626351 0.705324 0.465755 H\n0.496672 0.159489 0.975586 H\n0.365229 0.292982 0.965252 H\n0.024881 0.055604 0.493231 H\n0.883521 0.177808 0.496490 H\n0.973672 0.948293 0.998847 H\n0.109596 0.821113 0.995577 H\n0.941900 0.713817 0.487704 Br\n0.047294 0.287171 0.988439 Br\n0.553739 0.158373 0.520838 Br\n0.450183 0.850340 0.021580 Br\n0.245288 0.985613 0.735576 O\n0.768095 0.056174 0.243053 O\n0.942969 0.079816 0.740905 O\n0.038669 0.926314 0.238696 O\n0.613170 0.792071 0.760064 O\n0.398961 0.201756 0.253713 O\n0.691014 0.454707 0.756261 O\n0.319337 0.552618 0.249805 O\n0.100845 0.588695 0.767559 O\n0.921215 0.435338 0.267777 O\n0.267985 0.457710 0.607122 O\n0.730515 0.552695 0.107455 O\n0.485196 0.707165 0.458606 O\n0.507900 0.296011 0.959532 O\n0.026633 0.189309 0.482250 O\n0.967312 0.814213 0.982451 O\n",
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}
]
}