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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11454",
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"results": [
{
"id": "mp-1235940",
"created_at": "2022-09-04T14:47:07.781468Z",
"structure_string": "Li1 Lu2 W2 Cl2 O8\n1.0\n-5.848244 -0.085356 1.297419\n-1.862973 -6.063442 1.857667\n0.105250 -0.020407 7.160344\nLi Lu W Cl O\n1 2 2 2 8\ndirect\n0.253097 0.751141 0.059668 Li\n0.258424 0.219711 0.857573 Lu\n0.744213 0.772998 0.146462 Lu\n0.386856 0.323118 0.279650 W\n0.630455 0.648891 0.723792 W\n0.003229 0.034976 0.220313 Cl\n0.994873 0.962513 0.796710 Cl\n0.353366 0.251239 0.547685 O\n0.656081 0.754833 0.462298 O\n0.430930 0.483812 0.792612 O\n0.541134 0.550338 0.189829 O\n0.918857 0.479563 0.801752 O\n0.093977 0.526253 0.181068 O\n0.479904 0.120436 0.113714 O\n0.515022 0.870177 0.863910 O\n",
"nsites": 15,
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"elements": [
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"Lu",
"W",
"Cl",
"O"
],
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"density_atomic": 0.05919270576552283,
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"volume_molar": 10.173788614859426,
"formula_full": "Li1 Lu2 W2 Cl2 O8",
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},
{
"id": "mp-772411",
"created_at": "2022-09-04T14:47:07.806296Z",
"structure_string": "Na8 Li4 Mn4 P4 C4 O28\n1.0\n6.777434 0.000000 0.000000\n0.014372 8.869193 0.000000\n0.008618 0.156218 10.230653\nNa Li Mn P C O\n8 4 4 4 4 28\ndirect\n0.750579 0.084059 0.879450 Na\n0.744006 0.082257 0.378345 Na\n0.000579 0.256527 0.623457 Na\n0.499333 0.256029 0.623617 Na\n0.999864 0.255147 0.125948 Na\n0.498188 0.745141 0.874831 Na\n0.498276 0.744245 0.377130 Na\n0.000740 0.744693 0.376623 Na\n0.523193 0.273643 0.116058 Li\n0.020585 0.728776 0.884111 Li\n0.242382 0.909638 0.627049 Li\n0.254266 0.911811 0.124641 Li\n0.254450 0.359616 0.889732 Mn\n0.250922 0.362148 0.387226 Mn\n0.751289 0.641895 0.612794 Mn\n0.754100 0.643567 0.110137 Mn\n0.756893 0.413662 0.854260 P\n0.745442 0.408673 0.350300 P\n0.245655 0.597405 0.650384 P\n0.255783 0.592264 0.145981 P\n0.241070 0.044556 0.868151 C\n0.250997 0.052008 0.363951 C\n0.751053 0.941670 0.634096 C\n0.741343 0.947220 0.131117 C\n0.751240 0.086327 0.644809 O\n0.723496 0.092505 0.140175 O\n0.247294 0.085898 0.989069 O\n0.249605 0.089425 0.486879 O\n0.256041 0.145915 0.773990 O\n0.253308 0.155668 0.272217 O\n0.938843 0.316785 0.895352 O\n0.571459 0.326609 0.905335 O\n0.933340 0.316483 0.387796 O\n0.565248 0.316564 0.400230 O\n0.748478 0.425757 0.701869 O\n0.249448 0.437690 0.589622 O\n0.733238 0.423694 0.197433 O\n0.267420 0.429979 0.090023 O\n0.768080 0.576417 0.907896 O\n0.233005 0.577386 0.802564 O\n0.749416 0.569155 0.408413 O\n0.247768 0.575855 0.297936 O\n0.431787 0.692410 0.614623 O\n0.067751 0.693559 0.601994 O\n0.435779 0.691968 0.106571 O\n0.071646 0.682033 0.096393 O\n0.753044 0.854531 0.737922 O\n0.753570 0.862342 0.236687 O\n0.748595 0.880080 0.519225 O\n0.748631 0.882940 0.018455 O\n0.221411 0.903644 0.836997 O\n0.250071 0.911733 0.330133 O\n",
"nsites": 52,
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"elements": [
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"P",
"C",
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],
"chemical_system": "C-Li-Mn-Na-O-P",
"density": 2.838872465497548,
"density_atomic": 0.08455719862609062,
"volume": 614.9683391232298,
"volume_molar": 7.121972886814432,
"formula_full": "Na8 Li4 Mn4 P4 C4 O28",
"formula_reduced": "Na2LiMnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -375.44056416,
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"updated_at": "2021-11-28T01:37:55.501000Z",
"spacegroup": 1
},
{
"id": "mp-695536",
"created_at": "2022-09-04T14:47:07.908726Z",
"structure_string": "La2 H12 S6 N6 O18\n1.0\n-6.079380 0.000000 0.000000\n-0.047599 -9.868143 0.000000\n0.108560 4.922337 8.558519\nLa H S N O\n2 12 6 6 18\ndirect\n0.249211 0.333120 0.666657 La\n0.748974 0.666897 0.333267 La\n0.629617 0.799662 0.887145 H\n0.768494 0.670390 0.732807 H\n0.730429 0.266498 0.936915 H\n0.873744 0.112002 0.910805 H\n0.132662 0.901046 0.800628 H\n0.273709 0.938445 0.677703 H\n0.730261 0.062389 0.327077 H\n0.872895 0.093097 0.202640 H\n0.368798 0.896706 0.097983 H\n0.224621 0.737620 0.061669 H\n0.231091 0.325178 0.262729 H\n0.375287 0.201633 0.107082 H\n0.750047 0.598682 0.913510 S\n0.751370 0.086451 0.684619 S\n0.747793 0.315455 0.401475 S\n0.251217 0.682624 0.597378 S\n0.249179 0.914471 0.316891 S\n0.248725 0.401677 0.085146 S\n0.763556 0.727786 0.852584 N\n0.738442 0.146739 0.874052 N\n0.266150 0.870725 0.729507 N\n0.735251 0.125777 0.270367 N\n0.233997 0.857058 0.128439 N\n0.237158 0.269987 0.143078 N\n0.949358 0.504843 0.853123 O\n0.549612 0.502920 0.853642 O\n0.252179 0.606368 0.692163 O\n0.248455 0.306953 0.914728 O\n0.550278 0.346774 0.495176 O\n0.950136 0.351160 0.496377 O\n0.551021 0.147842 0.651890 O\n0.950831 0.145757 0.648367 O\n0.755582 0.915211 0.610362 O\n0.249362 0.085096 0.391986 O\n0.051256 0.849979 0.347260 O\n0.451761 0.856198 0.353611 O\n0.048717 0.647493 0.502647 O\n0.448920 0.651815 0.502846 O\n0.747181 0.695424 0.084616 O\n0.747563 0.391039 0.305482 O\n0.449983 0.496927 0.145324 O\n0.049729 0.496084 0.148247 O\n",
"nsites": 44,
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"elements": [
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"H",
"S",
"N",
"O"
],
"chemical_system": "H-La-N-O-S",
"density": 2.7629891792620347,
"density_atomic": 0.08569575959941486,
"volume": 513.4443081627161,
"volume_molar": 7.02734976403794,
"formula_full": "La2 H12 S6 N6 O18",
"formula_reduced": "LaH6S3(NO3)3",
"formula_anonymous": "AB3C3D6E9",
"energy": -280.51364712,
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"updated_at": "2021-11-28T01:37:55.295000Z",
"spacegroup": 1
},
{
"id": "mp-1176445",
"created_at": "2022-09-04T14:47:07.859059Z",
"structure_string": "Na8 Fe4 P4 C4 O28\n1.0\n8.404738 0.000000 0.000000\n1.765739 8.218169 0.000000\n0.212052 0.000456 8.946358\nNa Fe P C O\n8 4 4 4 28\ndirect\n0.767376 0.495018 0.917081 Na\n0.221593 0.037559 0.908116 Na\n0.620987 0.878709 0.741386 Na\n0.369485 0.625921 0.742385 Na\n0.619038 0.368605 0.265873 Na\n0.120916 0.868330 0.263275 Na\n0.235052 0.474464 0.080849 Na\n0.754447 0.991811 0.082213 Na\n0.984566 0.764707 0.653849 Fe\n0.484814 0.265178 0.654167 Fe\n0.022591 0.239240 0.351463 Fe\n0.522079 0.741143 0.339924 Fe\n0.762964 0.485936 0.572981 P\n0.271060 0.977702 0.576376 P\n0.735578 0.018316 0.424833 P\n0.236356 0.519049 0.424484 P\n0.514825 0.243487 0.934699 C\n0.009168 0.739328 0.934411 C\n0.988277 0.254976 0.072236 C\n0.484998 0.759471 0.059886 C\n0.977770 0.264934 0.931978 O\n0.467289 0.776361 0.918695 O\n0.402975 0.356494 0.873294 O\n0.887531 0.840702 0.872958 O\n0.600795 0.138847 0.840241 O\n0.104701 0.642143 0.840006 O\n0.824534 0.612938 0.669832 O\n0.343542 0.096773 0.672741 O\n0.636839 0.425711 0.677787 O\n0.153379 0.906710 0.681435 O\n0.319248 0.439695 0.566527 O\n0.810347 0.931597 0.567027 O\n0.902324 0.344499 0.524150 O\n0.414680 0.832904 0.530653 O\n0.600415 0.167558 0.472249 O\n0.099476 0.666804 0.472330 O\n0.186667 0.055883 0.435706 O\n0.678673 0.564233 0.430264 O\n0.864694 0.076941 0.324439 O\n0.168432 0.397055 0.329244 O\n0.358859 0.583410 0.318809 O\n0.663029 0.902910 0.323978 O\n0.891229 0.353278 0.165586 O\n0.391029 0.854576 0.155724 O\n0.600314 0.648613 0.118011 O\n0.102358 0.146300 0.137659 O\n0.537702 0.235568 0.074248 O\n0.032532 0.735150 0.073941 O\n",
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"formula_full": "Na8 Fe4 P4 C4 O28",
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{
"id": "mp-1275604",
"created_at": "2022-09-04T14:47:07.863001Z",
"structure_string": "Co4 Ag4 P4 O16\n1.0\n5.643297 -0.068838 1.021858\n1.101348 6.263443 1.732266\n0.121350 -0.175489 9.492505\nCo Ag P O\n4 4 4 16\ndirect\n0.783911 0.165095 0.567044 Co\n0.213517 0.824543 0.435404 Co\n0.327312 0.936139 0.784082 Co\n0.669457 0.062485 0.217967 Co\n0.680940 0.394638 0.876192 Ag\n0.317490 0.609933 0.125675 Ag\n0.180424 0.466306 0.771020 Ag\n0.818580 0.532030 0.230823 Ag\n0.677126 0.714911 0.530265 P\n0.322990 0.278918 0.470430 P\n0.811316 0.873564 0.901308 P\n0.188183 0.133084 0.097394 P\n0.860952 0.845360 0.553292 O\n0.137884 0.150838 0.448240 O\n0.640468 0.778092 0.362591 O\n0.360924 0.220375 0.637084 O\n0.759191 0.477003 0.578701 O\n0.244884 0.517203 0.418445 O\n0.418201 0.786477 0.611592 O\n0.583405 0.206982 0.389913 O\n0.797098 0.091402 0.787785 O\n0.203996 0.915561 0.210167 O\n0.761721 0.900541 0.060582 O\n0.241062 0.106762 0.937374 O\n0.073110 0.747512 0.871978 O\n0.925616 0.257785 0.125503 O\n0.623981 0.747097 0.876786 O\n0.376263 0.259366 0.122363 O\n",
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"formula_reduced": "CoAgPO4",
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{
"id": "mp-1233411",
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"structure_string": "Mg1 V8 O8 F8\n1.0\n-5.078040 0.139171 0.143139\n0.151840 4.592716 -9.763072\n0.249932 -4.610997 -3.265192\nMg V O F\n1 8 8 8\ndirect\n0.244826 0.045996 0.849898 Mg\n0.535677 0.285831 0.715889 V\n0.532003 0.975360 0.491379 V\n0.538078 0.732646 0.213748 V\n0.499260 0.515989 0.978211 V\n0.975022 0.249472 0.265048 V\n0.029154 0.754197 0.720782 V\n0.013279 0.496353 0.485454 V\n0.974332 0.974504 0.271521 V\n0.836018 0.338391 0.505990 O\n0.721011 0.104293 0.308181 O\n0.733526 0.826027 0.460937 O\n0.717712 0.577940 0.245703 O\n0.324285 0.444314 0.716989 O\n0.313387 0.685290 0.944873 O\n0.183787 0.928981 0.616150 O\n0.137092 0.140751 0.078754 O\n0.818686 0.583406 0.748829 F\n0.823726 0.819185 0.978005 F\n0.627140 0.062704 0.791681 F\n0.726514 0.350317 0.011816 F\n0.335655 0.908703 0.154873 F\n0.247315 0.180516 0.544851 F\n0.208575 0.679652 0.445402 F\n0.223385 0.426680 0.216943 F\n",
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],
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"spacegroup": 1
},
{
"id": "mp-1226417",
"created_at": "2022-09-04T14:47:07.984559Z",
"structure_string": "Co1 H8 S2 N4 O8\n1.0\n5.031153 -0.030811 -1.529270\n-0.928109 5.882434 0.140169\n-0.112382 0.234310 7.432869\nCo H S N O\n1 8 2 4 8\ndirect\n0.497614 0.001518 0.996460 Co\n0.381781 0.705588 0.258271 H\n0.638384 0.286871 0.750658 H\n0.643639 0.912745 0.376767 H\n0.371560 0.095159 0.618150 H\n0.671400 0.507923 0.201102 H\n0.361441 0.514356 0.780807 H\n0.076273 0.312795 0.653604 H\n0.944647 0.731394 0.304494 H\n0.857041 0.778489 0.776904 S\n0.144478 0.227548 0.213737 S\n0.745804 0.658520 0.272478 N\n0.278720 0.361123 0.713312 N\n0.570206 0.799009 0.265110 N\n0.441089 0.206663 0.731059 N\n0.127653 0.808360 0.924345 O\n0.869802 0.197711 0.070870 O\n0.641360 0.759973 0.878079 O\n0.355187 0.243604 0.110243 O\n0.818314 0.562577 0.678662 O\n0.187615 0.444135 0.312379 O\n0.830139 0.975192 0.644490 O\n0.171853 0.031745 0.348020 O\n",
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],
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"formula_full": "Co1 H8 S2 N4 O8",
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"energy": -138.1718279,
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{
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{
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{
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{
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"structure_string": "Ti68 O34\n1.0\n10.894429 0.103369 0.068568\n0.111678 10.447100 0.331783\n0.061226 0.321933 12.201836\nTi O\n68 34\ndirect\n0.326981 0.531012 0.607399 Ti\n0.379314 0.251871 0.646314 Ti\n0.035168 0.455016 0.589475 Ti\n0.724457 0.231259 0.385345 Ti\n0.859919 0.317168 0.757174 Ti\n0.835379 0.034733 0.746061 Ti\n0.875358 0.337598 0.179545 Ti\n0.040434 0.546448 0.193647 Ti\n0.310311 0.964009 0.661823 Ti\n0.561047 0.875615 0.609686 Ti\n0.749491 0.767079 0.368226 Ti\n0.334729 0.803806 0.470307 Ti\n0.793331 0.649319 0.106592 Ti\n0.788690 0.459022 0.514271 Ti\n0.352919 0.252738 0.861406 Ti\n0.918105 0.583525 0.758033 Ti\n0.924283 0.592848 0.374463 Ti\n0.432793 0.726160 0.782894 Ti\n0.399539 0.327419 0.061162 Ti\n0.091789 0.204959 0.669518 Ti\n0.828226 0.437172 0.958735 Ti\n0.268944 0.579996 0.043158 Ti\n0.012351 0.835446 0.386154 Ti\n0.676596 0.663980 0.786595 Ti\n0.021332 0.357325 0.366330 Ti\n0.550089 0.079376 0.759138 Ti\n0.663521 0.893901 0.176532 Ti\n0.049949 0.945693 0.621813 Ti\n0.853327 0.034126 0.297412 Ti\n0.352023 0.973561 0.885616 Ti\n0.615691 0.638360 0.558536 Ti\n0.901728 0.232622 0.538952 Ti\n0.308275 0.059159 0.437421 Ti\n0.170347 0.866331 0.031925 Ti\n0.167351 0.449785 0.787908 Ti\n0.345260 0.965679 0.220259 Ti\n0.543275 0.543949 0.957216 Ti\n0.099493 0.058067 0.865341 Ti\n0.531661 0.442424 0.736011 Ti\n0.491716 0.713427 0.282587 Ti\n0.218095 0.243481 0.246417 Ti\n0.560012 0.956812 0.374127 Ti\n0.715640 0.169340 0.139716 Ti\n0.122770 0.686716 0.627243 Ti\n0.184744 0.788059 0.828137 Ti\n0.176460 0.579348 0.416487 Ti\n0.431082 0.788110 0.033040 Ti\n0.663600 0.902102 0.929657 Ti\n0.675160 0.244643 0.617669 Ti\n0.636761 0.247595 0.916796 Ti\n0.067514 0.041382 0.178871 Ti\n0.344632 0.480163 0.272131 Ti\n0.245622 0.305192 0.463757 Ti\n0.513470 0.065184 0.034657 Ti\n0.897233 0.162821 0.980960 Ti\n0.786269 0.002415 0.517412 Ti\n0.063605 0.098023 0.415853 Ti\n0.514762 0.415546 0.469439 Ti\n0.249331 0.120470 0.038353 Ti\n0.495126 0.195353 0.262079 Ti\n0.693189 0.506417 0.297048 Ti\n0.522208 0.129342 0.511430 Ti\n0.027986 0.615577 0.979634 Ti\n0.926288 0.839264 0.913214 Ti\n0.868089 0.732845 0.573922 Ti\n0.114165 0.353590 0.040140 Ti\n0.958860 0.814063 0.151280 Ti\n0.229880 0.737627 0.237534 Ti\n-0.000234 0.954508 0.022740 O\n0.262388 0.411622 0.140868 O\n0.559856 0.242780 0.087829 O\n0.782972 0.835470 0.051274 O\n0.765328 0.482672 0.802132 O\n0.702265 0.333316 0.240448 O\n0.118955 0.696606 0.110683 O\n0.380694 0.643968 0.166488 O\n0.658167 0.074139 0.274143 O\n0.366232 0.103997 0.760063 O\n0.497311 0.377984 0.908906 O\n0.635125 0.440655 0.601800 O\n0.194327 0.045784 0.303555 O\n0.081981 0.175904 0.999113 O\n0.330241 0.472496 0.445563 O\n0.398606 0.798327 0.625728 O\n0.713355 0.085777 0.993605 O\n0.949657 0.165967 0.812723 O\n0.582799 0.737621 0.918059 O\n0.348291 0.405187 0.743129 O\n0.055330 0.350219 0.200421 O\n0.020096 0.709318 0.819984 O\n0.176977 0.249895 0.801451 O\n0.875770 0.902349 0.641089 O\n0.694727 0.524121 0.039402 O\n0.183505 0.775545 0.388007 O\n0.515235 0.506797 0.314824 O\n0.364979 0.150790 0.158149 O\n0.900152 0.142983 0.150360 O\n0.253466 0.637103 0.738206 O\n0.385433 0.638004 0.932928 O\n0.668119 0.693280 0.228501 O\n0.710078 0.182543 0.779966 O\n0.654100 0.037028 0.629074 O\n",
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{
"id": "mp-1219886",
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"structure_string": "Pr1 Ti6 Bi7 O24\n1.0\n5.436630 0.000000 0.000000\n-0.039592 5.476575 0.000000\n-2.611714 -0.018096 16.775737\nPr Ti Bi O\n1 6 7 24\ndirect\n0.105991 0.006814 0.127784 Pr\n0.040417 0.501180 0.001273 Ti\n0.542080 0.999704 0.001861 Ti\n0.156098 0.500767 0.257359 Ti\n0.896609 0.499725 0.742015 Ti\n0.663471 0.000673 0.256856 Ti\n0.397138 0.001775 0.742367 Ti\n0.298012 0.526283 0.576725 Bi\n0.724479 0.474448 0.423092 Bi\n0.798505 0.974876 0.576550 Bi\n0.224474 0.026168 0.422885 Bi\n0.434183 0.497200 0.867107 Bi\n0.581037 0.510034 0.135937 Bi\n0.936275 0.005270 0.867990 Bi\n0.822143 0.764030 0.984423 O\n0.828779 0.244950 0.021815 O\n0.317215 0.735508 0.978147 O\n0.320759 0.243072 0.023089 O\n0.226159 0.440692 0.361528 O\n0.866433 0.558125 0.637965 O\n0.727236 0.059341 0.361320 O\n0.366835 0.941396 0.638289 O\n0.697578 0.775731 0.776234 O\n0.913849 0.230880 0.221555 O\n0.197139 0.724202 0.776383 O\n0.410194 0.264577 0.221209 O\n0.520875 0.745815 0.497617 O\n0.022108 0.254240 0.501624 O\n0.021204 0.754137 0.498020 O\n0.522453 0.245560 0.502108 O\n0.140457 0.572149 0.115038 O\n0.020473 0.426613 0.885085 O\n0.601774 0.927851 0.115944 O\n0.523381 0.071304 0.885130 O\n0.874797 0.719208 0.243758 O\n0.623872 0.286406 0.753362 O\n0.380069 0.775472 0.246374 O\n0.124249 0.213825 0.754180 O\n",
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}
]
}