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{
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{
"id": "oqmd-694283",
"created_at": "2022-09-04T15:17:58.935212Z",
"updated_at": "2022-09-04T15:17:58.935241Z",
"structure_string": "Li8 Mn2 Ru2 O11\n1.0\n-5.082072 -8.762893 0.015549\n-2.477661 4.344708 0.003750\n1.714168 0.014696 -4.729829\nLi Mn O Ru\n8 2 11 2\ndirect\n0.751946 0.497464 0.002479 Li\n0.996206 0.994672 0.495399 Li\n0.829101 0.328072 0.496646 Li\n0.685286 0.655043 0.501566 Li\n0.170722 0.663571 0.501919 Li\n0.312687 0.309557 0.518960 Li\n0.507964 0.037380 0.523632 Li\n0.236575 0.499581 0.979473 Li\n0.582076 0.820211 0.996621 Mn\n0.082781 0.836609 0.998823 Mn\n0.782187 0.909602 0.231375 O\n0.968282 0.594082 0.232371 O\n0.118256 0.233119 0.234806 O\n0.287144 0.932276 0.236081 O\n0.614346 0.208797 0.240500 O\n0.714138 0.074256 0.750114 O\n0.537049 0.425247 0.758830 O\n0.039944 0.438899 0.763228 O\n0.388723 0.759059 0.764260 O\n0.888441 0.763019 0.764910 O\n0.206931 0.084061 0.777464 O\n0.418751 0.177330 0.003604 Ru\n0.914560 0.169173 0.995948 Ru\n",
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"density_atomic": 0.11113562067664823,
"volume": 206.9543487494352,
"volume_molar": 5.418731387231429,
"formula_full": "Li8 Mn2 Ru2 O11",
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"formula_anonymous": "A2B2C8D11",
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{
"id": "oqmd-694287",
"created_at": "2022-09-04T15:17:58.945161Z",
"updated_at": "2022-09-04T15:17:58.945187Z",
"structure_string": "Li8 Mn2 Nb2 O11\n1.0\n-5.255443 -8.929072 0.057408\n-2.641897 4.472898 -0.011198\n1.801726 0.018622 -4.833283\nLi Mn Nb O\n8 2 2 11\ndirect\n0.746774 0.496524 0.009188 Li\n0.370420 0.391819 0.488436 Li\n0.669622 0.653157 0.504474 Li\n0.503555 0.018917 0.505267 Li\n0.191663 0.744505 0.507784 Li\n0.805978 0.290108 0.509883 Li\n0.973148 0.947451 0.514355 Li\n0.261508 0.488484 0.929291 Li\n0.905015 0.149208 0.017159 Mn\n0.418873 0.176052 0.997088 Mn\n0.581651 0.836392 0.002039 Nb\n0.077898 0.766542 0.965874 Nb\n0.455095 0.603356 0.224297 O\n0.977871 0.599582 0.244743 O\n0.624562 0.234277 0.248283 O\n0.277532 0.958084 0.253934 O\n0.781209 0.908834 0.256523 O\n0.381988 0.754047 0.737355 O\n0.047292 0.402637 0.745046 O\n0.547289 0.447701 0.758926 O\n0.703214 0.075339 0.771477 O\n0.186882 0.061362 0.774058 O\n0.889255 0.761418 0.791717 O\n",
"nsites": 23,
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"elements": [
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"density_atomic": 0.10116760648136051,
"volume": 227.34549921607172,
"volume_molar": 5.952637380137625,
"formula_full": "Li8 Mn2 Nb2 O11",
"formula_reduced": "Li8Mn2Nb2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694259",
"created_at": "2022-09-04T15:17:58.905299Z",
"updated_at": "2022-09-04T15:17:58.905317Z",
"structure_string": "Li8 W4 O11\n1.0\n-5.085826 -8.456545 -0.062507\n-2.506106 4.204494 -0.026981\n1.654481 0.005042 -5.022273\nLi O W\n8 11 4\ndirect\n0.748598 0.495157 0.001598 Li\n0.676804 0.662120 0.490734 Li\n0.995149 0.001280 0.500733 Li\n0.832160 0.328019 0.504436 Li\n0.167082 0.656716 0.507423 Li\n0.513154 0.035770 0.518273 Li\n0.319516 0.328148 0.519134 Li\n0.248969 0.498522 0.983501 Li\n0.292113 0.960806 0.228414 O\n0.960883 0.583305 0.235959 O\n0.791823 0.912302 0.253618 O\n0.128737 0.268075 0.258479 O\n0.632181 0.247807 0.266660 O\n0.378178 0.755213 0.715844 O\n0.863373 0.721336 0.735213 O\n0.706127 0.063993 0.739109 O\n0.539663 0.416109 0.762471 O\n0.039862 0.424639 0.773142 O\n0.209427 0.074566 0.777880 O\n0.584436 0.850321 0.000000 W\n0.064810 0.850720 0.000216 W\n0.429951 0.148599 0.001620 W\n0.913230 0.137357 0.997420 W\n",
"nsites": 23,
"nelements": 3,
"elements": [
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],
"chemical_system": "Li-O-W",
"density": 7.480091935442732,
"density_atomic": 0.10715500687225041,
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"formula_full": "Li8 W4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694201",
"created_at": "2022-09-04T15:17:58.955146Z",
"updated_at": "2022-09-04T15:17:58.955173Z",
"structure_string": "Li8 Os4 O11\n1.0\n-5.250434 -8.429815 -0.042186\n-2.502287 4.138684 -0.018985\n1.701505 0.024048 -4.878786\nLi O Os\n8 11 4\ndirect\n0.750846 0.491910 0.000210 Li\n0.831392 0.327324 0.496048 Li\n0.998298 0.999050 0.498321 Li\n0.676292 0.674253 0.499641 Li\n0.322623 0.316821 0.503842 Li\n0.168336 0.668575 0.505578 Li\n0.505926 0.017171 0.514821 Li\n0.249331 0.509611 0.986904 Li\n0.286553 0.930272 0.219604 O\n0.779944 0.901935 0.225881 O\n0.958573 0.571694 0.230793 O\n0.130886 0.267990 0.263551 O\n0.625360 0.244343 0.267962 O\n0.371061 0.742248 0.732197 O\n0.870945 0.735281 0.733340 O\n0.544778 0.431806 0.753345 O\n0.041937 0.431130 0.770670 O\n0.218920 0.095602 0.774725 O\n0.718809 0.079553 0.781140 O\n0.922553 0.146179 0.000803 Os\n0.433041 0.187855 0.004426 Os\n0.560085 0.808318 0.011027 Os\n0.075784 0.855081 0.998524 Os\n",
"nsites": 23,
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"elements": [
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],
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"density": 7.866394581871137,
"density_atomic": 0.10978666504927204,
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"formula_full": "Li8 Os4 O11",
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"formula_anonymous": "A4B8C11",
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"spacegroup": 1
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{
"id": "oqmd-694191",
"created_at": "2022-09-04T15:17:59.050408Z",
"updated_at": "2022-09-04T15:17:59.050439Z",
"structure_string": "Na4 Li8 O11\n1.0\n-5.569566 -9.909057 0.554476\n-2.733886 4.939078 0.476055\n2.517157 -0.076064 -4.607261\nLi Na O\n8 4 11\ndirect\n0.223071 0.791408 0.470903 Li\n0.447627 0.874384 0.493214 Li\n0.926967 0.847028 0.502191 Li\n0.313256 0.305939 0.529097 Li\n0.784192 0.216626 0.539410 Li\n0.650049 0.624237 0.577434 Li\n0.185290 0.418231 0.746619 Li\n0.730831 0.472385 0.954843 Li\n0.439443 0.193434 0.028608 Na\n0.935648 0.217757 0.061444 Na\n0.089494 0.818659 0.939272 Na\n0.566515 0.843797 0.996294 Na\n0.851664 0.019008 0.327096 O\n0.359166 0.045802 0.338914 O\n0.048818 0.781287 0.339558 O\n0.716043 0.410589 0.346447 O\n0.556775 0.756176 0.376128 O\n0.314262 0.647224 0.626369 O\n0.983986 0.284766 0.677809 O\n0.503576 0.332935 0.679234 O\n0.183897 0.059573 0.687790 O\n0.830725 0.646127 0.710053 O\n0.674774 0.024762 0.730374 O\n",
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"elements": [
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{
"id": "oqmd-694247",
"created_at": "2022-09-04T15:17:58.991296Z",
"updated_at": "2022-09-04T15:17:58.991323Z",
"structure_string": "Li8 Th4 O11\n1.0\n-7.050074 -10.550176 -0.221585\n-2.787850 4.869197 0.245965\n2.224279 -0.034022 -4.663555\nLi O Th\n8 11 4\ndirect\n0.270145 0.516300 0.030634 Li\n0.915911 0.908323 0.453820 Li\n0.719826 0.716970 0.483217 Li\n0.249927 0.724021 0.484657 Li\n0.592508 0.076717 0.515971 Li\n0.246329 0.258920 0.516731 Li\n0.801095 0.341314 0.561184 Li\n0.704654 0.443315 0.991684 Li\n0.763136 0.851157 0.183318 O\n0.253061 0.883451 0.211179 O\n0.132909 0.290651 0.212998 O\n0.636176 0.245114 0.245217 O\n0.006361 0.716107 0.332169 O\n0.972775 0.336402 0.663616 O\n0.528736 0.315873 0.679928 O\n0.879298 0.783437 0.748073 O\n0.370412 0.722772 0.792631 O\n0.733777 0.134190 0.798814 O\n0.265605 0.152845 0.830212 O\n0.928872 0.227027 0.102172 Th\n0.428271 0.167469 0.147028 Th\n0.081349 0.838768 0.875148 Th\n0.571717 0.777909 0.896701 Th\n",
"nsites": 23,
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"elements": [
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{
"id": "oqmd-694153",
"created_at": "2022-09-04T15:17:59.065446Z",
"updated_at": "2022-09-04T15:17:59.065469Z",
"structure_string": "Li8 Cu4 O11\n1.0\n-4.978455 -8.573469 -0.017250\n-2.469156 4.275351 0.024629\n1.697803 -0.013673 -4.642584\nCu Li O\n4 8 11\ndirect\n0.084041 0.833660 0.002079 Cu\n0.416624 0.163989 0.019218 Cu\n0.911411 0.163430 0.984094 Cu\n0.577770 0.827460 0.992255 Cu\n0.991513 0.999762 0.490063 Li\n0.834155 0.341120 0.494268 Li\n0.175767 0.665304 0.499727 Li\n0.679179 0.668525 0.501232 Li\n0.317331 0.296405 0.526620 Li\n0.507767 0.035190 0.533323 Li\n0.239749 0.503402 0.984557 Li\n0.750998 0.500352 0.993415 Li\n0.967102 0.577922 0.219643 O\n0.776370 0.929898 0.222490 O\n0.106753 0.214666 0.228131 O\n0.604641 0.212160 0.232268 O\n0.307394 0.945833 0.252700 O\n0.720849 0.083045 0.733798 O\n0.389843 0.727509 0.737913 O\n0.879399 0.784033 0.752865 O\n0.042342 0.446028 0.763063 O\n0.529866 0.417438 0.802691 O\n0.220331 0.082927 0.803271 O\n",
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"elements": [
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"volume": 196.86013326702837,
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"formula_full": "Li8 Cu4 O11",
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{
"id": "oqmd-692438",
"created_at": "2022-09-04T15:17:59.078548Z",
"updated_at": "2022-09-04T15:17:59.078563Z",
"structure_string": "Li1 Zr2 O6\n1.0\n-2.703939 -5.349234 -0.332609\n-2.866287 5.427752 -0.028302\n1.440651 -0.112523 -3.203333\nLi O Zr\n1 6 2\ndirect\n0.459683 0.543147 0.496546 Li\n0.225049 0.233515 0.038241 O\n0.899319 0.588502 0.329788 O\n0.515877 0.927661 0.357256 O\n0.456804 0.094049 0.650935 O\n0.080574 0.442738 0.667249 O\n0.744006 0.795486 0.964062 O\n0.857249 0.188818 0.038409 Zr\n0.108321 0.839224 0.957518 Zr\n",
"nsites": 9,
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"elements": [
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],
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"density": 4.794150408005773,
"density_atomic": 0.09104860911749331,
"volume": 98.84829748893787,
"volume_molar": 6.614204015163761,
"formula_full": "Li1 Zr2 O6",
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"spacegroup": 1
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{
"id": "oqmd-694306",
"created_at": "2022-09-04T15:17:59.141270Z",
"updated_at": "2022-09-04T15:17:59.141298Z",
"structure_string": "Li8 Mn2 Te2 O11\n1.0\n-5.222165 -8.996543 0.016608\n-2.672686 4.534032 0.011627\n1.811393 -0.014533 -4.845526\nLi Mn O Te\n8 2 11 2\ndirect\n0.759951 0.512062 0.003179 Li\n0.844674 0.360775 0.496023 Li\n0.671069 0.662561 0.502271 Li\n0.145107 0.624068 0.504518 Li\n0.005524 0.999220 0.505066 Li\n0.518992 0.005032 0.514412 Li\n0.320178 0.362936 0.518057 Li\n0.236335 0.451404 0.965105 Li\n0.919555 0.168978 0.000969 Mn\n0.414918 0.174107 0.980453 Mn\n0.461454 0.604522 0.220905 O\n0.963557 0.602959 0.236307 O\n0.128816 0.246850 0.240230 O\n0.770351 0.905855 0.242214 O\n0.613465 0.210398 0.243547 O\n0.201776 0.059026 0.738485 O\n0.040059 0.427888 0.751155 O\n0.541787 0.454917 0.754784 O\n0.390220 0.763644 0.765209 O\n0.903866 0.760593 0.776858 O\n0.694537 0.060372 0.779688 O\n0.582531 0.835159 0.004655 Te\n0.096992 0.836321 0.015739 Te\n",
"nsites": 23,
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"elements": [
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],
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"density_atomic": 0.09960417954642099,
"volume": 230.91400486141993,
"volume_molar": 6.046072351003457,
"formula_full": "Li8 Mn2 Te2 O11",
"formula_reduced": "Li8Mn2Te2O11",
"formula_anonymous": "A2B2C8D11",
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"spacegroup": 1
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{
"id": "oqmd-694168",
"created_at": "2022-09-04T15:17:59.081716Z",
"updated_at": "2022-09-04T15:17:59.081745Z",
"structure_string": "Li8 Ge4 O11\n1.0\n-4.970157 -8.476516 -0.002953\n-2.497508 4.245575 -0.007360\n1.682776 0.000860 -4.767469\nGe Li O\n4 8 11\ndirect\n0.075676 0.840148 0.000504 Ge\n0.414676 0.169559 0.001663 Ge\n0.587935 0.836445 0.003070 Ge\n0.927330 0.160973 0.007326 Ge\n0.986124 0.977017 0.494292 Li\n0.672225 0.658799 0.499419 Li\n0.503361 0.000226 0.502651 Li\n0.829967 0.333534 0.502699 Li\n0.343737 0.351642 0.507629 Li\n0.169927 0.688271 0.511700 Li\n0.251596 0.510889 0.976962 Li\n0.749339 0.490470 0.995825 Li\n0.463338 0.575991 0.225399 O\n0.605890 0.212452 0.226293 O\n0.285912 0.940187 0.226329 O\n0.968807 0.576646 0.230899 O\n0.787364 0.925422 0.231696 O\n0.877925 0.751133 0.746740 O\n0.390847 0.784224 0.768658 O\n0.211229 0.078571 0.773490 O\n0.038016 0.432299 0.776031 O\n0.533319 0.423070 0.779420 O\n0.717003 0.065127 0.784241 O\n",
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"elements": [
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"volume": 201.65336274899846,
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"formula_full": "Li8 Ge4 O11",
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"spacegroup": 1
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{
"id": "oqmd-694137",
"created_at": "2022-09-04T15:17:59.107820Z",
"updated_at": "2022-09-04T15:17:59.107851Z",
"structure_string": "Li8 Be4 O11\n1.0\n-4.964302 -7.938044 -0.305395\n-2.579420 4.016431 0.428788\n1.997889 -0.344508 -4.675586\nBe Li O\n4 8 11\ndirect\n0.619839 0.860833 0.050988 Be\n0.922287 0.073877 0.068151 Be\n0.378030 0.097054 0.893641 Be\n0.073714 0.887902 0.906588 Be\n0.290341 0.514486 0.011844 Li\n0.730545 0.471600 0.045073 Li\n0.144660 0.636480 0.363126 Li\n0.687583 0.695873 0.482799 Li\n0.311841 0.307163 0.497857 Li\n0.006933 0.029013 0.517179 Li\n0.525259 0.179535 0.591190 Li\n0.838998 0.331252 0.615198 Li\n0.933704 0.424094 0.057793 O\n0.401797 0.054714 0.200964 O\n0.113548 0.183157 0.231316 O\n0.798877 0.969263 0.253420 O\n0.587965 0.172368 0.272104 O\n0.417109 0.802496 0.657654 O\n0.197017 0.004552 0.726733 O\n0.882259 0.784583 0.743544 O\n0.605183 0.943203 0.750606 O\n0.063299 0.533806 0.908585 O\n0.502323 0.465702 0.933241 O\n",
"nsites": 23,
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"elements": [
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],
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"density": 2.4199101725023597,
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"volume": 183.60625764042868,
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"formula_full": "Li8 Be4 O11",
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"formula_anonymous": "A4B8C11",
"formation_energy": -2.04783648933332,
"spacegroup": 1
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{
"id": "oqmd-694143",
"created_at": "2022-09-04T15:17:59.131145Z",
"updated_at": "2022-09-04T15:17:59.131173Z",
"structure_string": "Li8 Cd4 O11\n1.0\n-5.358454 -9.268182 -0.075698\n-2.647243 4.615551 0.023819\n1.794445 -0.026094 -4.846146\nCd Li O\n4 8 11\ndirect\n0.417195 0.164172 0.000499 Cd\n0.083584 0.834190 0.004767 Cd\n0.583158 0.838001 0.994628 Cd\n0.914187 0.165065 0.998838 Cd\n0.166392 0.666010 0.497834 Li\n0.998693 0.998393 0.498850 Li\n0.834759 0.327994 0.502773 Li\n0.690455 0.670857 0.513390 Li\n0.505368 0.035539 0.519209 Li\n0.319017 0.305697 0.519828 Li\n0.230069 0.489747 0.961924 Li\n0.751801 0.502794 0.997626 Li\n0.783964 0.907381 0.252555 O\n0.955790 0.588798 0.260554 O\n0.619372 0.246486 0.264692 O\n0.304471 0.923951 0.265283 O\n0.135504 0.263469 0.270318 O\n0.702231 0.076289 0.707583 O\n0.374253 0.717213 0.719886 O\n0.874305 0.751598 0.733506 O\n0.042047 0.416847 0.736289 O\n0.541159 0.417648 0.752112 O\n0.214613 0.102782 0.768221 O\n",
"nsites": 23,
"nelements": 3,
"elements": [
"Cd",
"Li",
"O"
],
"chemical_system": "Cd-Li-O",
"density": 4.733058852342784,
"density_atomic": 0.09624275877966122,
"volume": 238.9790181789816,
"volume_molar": 6.257240374610547,
"formula_full": "Li8 Cd4 O11",
"formula_reduced": "Li8Cd4O11",
"formula_anonymous": "A4B8C11",
"formation_energy": -1.31629708107245,
"spacegroup": 1
}
]
}