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{
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"next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=spacegroup&page=171",
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"results": [
{
"id": "jvasp-117276",
"created_at": "2022-09-04T14:38:46.765230Z",
"updated_at": "2022-09-04T14:38:46.765257Z",
"structure_string": "Li4 Al4 Ni4 O12\n1.0\n5.328401 -0.040994 -1.664262\n2.201105 5.095653 -1.922470\n0.083142 -0.024111 8.757941\nLi Al Ni O\n4 4 4 12\ndirect\n0.941552 0.132511 0.376855 Li\n0.441551 0.632512 0.876860 Li\n0.558447 0.367490 0.123142 Li\n0.058447 0.867490 0.623144 Li\n0.627185 0.786450 0.376085 Al\n0.127186 0.286452 0.876085 Al\n0.872813 0.713550 0.123915 Al\n0.372813 0.213549 0.623915 Al\n0.281497 0.463974 0.370296 Ni\n0.218503 0.036029 0.129705 Ni\n0.781495 0.963971 0.870295 Ni\n0.718502 0.536027 0.629704 Ni\n0.860841 0.021190 0.115897 O\n0.942504 0.789643 0.359341 O\n0.442503 0.289643 0.859342 O\n0.557494 0.710357 0.140658 O\n0.057496 0.210357 0.640658 O\n0.327636 0.095749 0.385180 O\n0.827634 0.595749 0.885180 O\n0.172364 0.404253 0.114819 O\n0.672362 0.904252 0.614819 O\n0.639159 0.478810 0.384102 O\n0.139159 0.978810 0.884102 O\n0.360838 0.521192 0.615898 O\n",
"nsites": 24,
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],
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"formula_full": "Li4 Al4 Ni4 O12",
"formula_reduced": "LiAlNiO3",
"formula_anonymous": "ABCD3",
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"spacegroup": 2
},
{
"id": "jvasp-118677",
"created_at": "2022-09-04T14:38:46.869731Z",
"updated_at": "2022-09-04T14:38:46.869768Z",
"structure_string": "Mg1 C3\n1.0\n4.423120 0.802477 -0.136223\n1.930696 -3.558000 -0.682834\n-0.664200 -2.536035 -2.826322\nMg C\n1 3\ndirect\n0.443691 0.028121 0.728269 Mg\n0.040498 -0.080720 0.995197 C\n0.943617 0.028147 0.228032 C\n0.846871 0.136906 0.460976 C\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
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],
"chemical_system": "C-Mg",
"density": 2.354610625223355,
"density_atomic": 0.09400383263356632,
"volume": 42.55145655169494,
"volume_molar": 6.406271522433279,
"formula_full": "Mg1 C3",
"formula_reduced": "MgC3",
"formula_anonymous": "AB3",
"energy_above_hull": 4.436109762499999,
"spacegroup": 2
},
{
"id": "jvasp-112221",
"created_at": "2022-09-04T14:38:46.907344Z",
"updated_at": "2022-09-04T14:38:46.907370Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.917629 -0.110511 -0.386702\n-1.141250 4.404507 -0.182024\n-0.063411 -0.085450 12.984944\nH Pb C O\n12 1 8 4\ndirect\n0.071794 0.922857 0.538900 H\n0.513399 0.945084 0.580000 H\n0.293741 0.809084 0.160737 H\n0.743273 0.835684 0.201531 H\n0.983715 0.392586 0.450904 H\n0.171712 0.857024 0.350151 H\n0.105687 0.338490 0.260669 H\n0.555156 0.371261 0.302289 H\n0.213616 0.283141 0.072447 H\n0.655207 0.305383 0.113570 H\n0.433262 0.419198 0.491670 H\n0.621208 0.889854 0.391756 H\n0.863535 0.114104 0.826218 Pb\n0.128078 0.637344 0.657810 C\n0.250680 0.780029 0.560183 C\n0.249677 0.555580 0.468989 C\n0.357722 0.721995 0.372488 C\n0.369189 0.506321 0.279943 C\n0.477304 0.672698 0.183440 C\n0.476331 0.448199 0.092264 C\n0.598984 0.590804 -0.005369 C\n0.229896 0.805198 0.745308 O\n0.923217 0.369133 0.652392 O\n0.497090 0.422912 0.907140 O\n0.803976 0.858961 0.000035 O\n",
"nsites": 25,
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"elements": [
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],
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"density_atomic": 0.1125049083698263,
"volume": 222.21252709988408,
"volume_molar": 5.3527804673232655,
"formula_full": "H12 Pb1 C8 O4",
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"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312537928,
"spacegroup": 2
},
{
"id": "jvasp-119310",
"created_at": "2022-09-04T14:38:47.119118Z",
"updated_at": "2022-09-04T14:38:47.119146Z",
"structure_string": "Li2 Fe2 Mo4 O16\n1.0\n6.227524 -0.087205 -2.227214\n-2.067194 6.864443 -0.094783\n-0.035693 0.015516 6.943695\nLi Fe Mo O\n2 2 4 16\ndirect\n0.775171 0.447011 0.274694 Li\n0.224830 0.552990 0.725307 Li\n0.407934 0.096261 0.326018 Fe\n0.592066 0.903740 0.673983 Fe\n0.820559 0.964005 0.227521 Mo\n0.334814 0.573778 0.285409 Mo\n0.179442 0.035996 0.772479 Mo\n0.665187 0.426223 0.714592 Mo\n0.294172 0.282287 0.740503 O\n0.123314 0.049464 0.362606 O\n0.097413 0.482604 0.348588 O\n0.759777 0.962360 0.958955 O\n0.470928 0.374007 0.342190 O\n0.239759 0.571953 0.023075 O\n0.902588 0.517397 0.651413 O\n0.876687 0.950536 0.637395 O\n0.684143 0.136151 0.279354 O\n0.419827 0.845855 0.387381 O\n0.760242 0.428048 0.976925 O\n0.705828 0.717714 0.259498 O\n0.240223 0.037641 0.041046 O\n0.580174 0.154146 0.612619 O\n0.529073 0.625993 0.657810 O\n0.315858 0.863850 0.720647 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
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"Mo",
"O"
],
"chemical_system": "Fe-Li-Mo-O",
"density": 4.306275372609101,
"density_atomic": 0.08132414716977425,
"volume": 295.11529890251444,
"volume_molar": 7.405107793418398,
"formula_full": "Li2 Fe2 Mo4 O16",
"formula_reduced": "LiFe(MoO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 3.430024608333333,
"spacegroup": 2
},
{
"id": "jvasp-113202",
"created_at": "2022-09-04T14:38:47.080233Z",
"updated_at": "2022-09-04T14:38:47.080262Z",
"structure_string": "Li5 Mn3 Co2 O10\n1.0\n4.775316 -0.007849 -1.612882\n-1.255368 4.734347 -1.244509\n-0.036629 0.072067 7.593426\nLi Mn Co O\n5 3 2 10\ndirect\n0.092555 0.799261 0.583538 Li\n0.715362 0.616927 0.223986 Li\n0.500000 0.500001 0.500001 Li\n0.284639 0.383074 0.776015 Li\n0.907446 0.200740 0.416463 Li\n0.500000 -0.000000 0.000000 Mn\n0.108150 0.311877 0.110349 Mn\n0.891850 0.688124 0.889652 Mn\n0.697711 0.100010 0.696520 Co\n0.302289 0.899991 0.303481 Co\n0.710662 0.329995 0.953983 O\n0.908904 0.931709 0.143265 O\n0.289338 0.670006 0.046018 O\n0.680052 0.870425 0.454521 O\n0.524455 0.768680 0.761947 O\n0.113519 0.557751 0.337903 O\n0.886481 0.442250 0.662098 O\n0.475545 0.231321 0.238054 O\n0.319948 0.129576 0.545480 O\n0.091096 0.068292 0.856736 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.6116719964959,
"density_atomic": 0.11635244687733932,
"volume": 171.89152902890243,
"volume_molar": 5.175774916318383,
"formula_full": "Li5 Mn3 Co2 O10",
"formula_reduced": "Li5Mn3(CoO5)2",
"formula_anonymous": "A2B3C5D10",
"energy_above_hull": 2.8699144262068965,
"spacegroup": 2
},
{
"id": "jvasp-112231",
"created_at": "2022-09-04T14:38:47.135234Z",
"updated_at": "2022-09-04T14:38:47.135262Z",
"structure_string": "H12 Pb1 C8 O4\n1.0\n3.973550 -0.082197 -0.188020\n-0.897760 4.237805 -0.082016\n-0.193053 0.036372 12.959467\nH Pb C O\n12 1 8 4\ndirect\n0.489076 0.236134 0.543409 H\n0.053121 0.143475 0.575839 H\n0.022995 0.161652 0.161910 H\n0.594626 0.093718 0.199687 H\n0.398927 0.717475 0.451774 H\n0.250998 0.194189 0.352134 H\n0.168771 0.684486 0.260707 H\n0.742505 0.617041 0.299314 H\n0.940262 0.667724 0.075600 H\n0.504335 0.575033 0.108061 H\n0.970540 0.649616 0.489533 H\n0.824731 0.126757 0.390740 H\n0.996677 0.905554 0.825733 Pb\n0.376176 0.542226 0.658680 C\n0.270223 0.340116 0.560811 C\n0.173746 0.529305 0.468598 C\n0.047917 0.316011 0.372414 C\n0.945592 0.495228 0.279034 C\n0.819765 0.281920 0.182855 C\n0.723191 0.471072 0.090645 C\n0.617184 0.268915 0.992786 C\n0.224853 0.452269 0.742169 O\n0.606296 0.798141 0.656709 O\n0.768533 0.358802 0.909296 O\n0.387007 0.013042 -0.005233 O\n",
"nsites": 25,
"nelements": 4,
"elements": [
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],
"chemical_system": "C-H-O-Pb",
"density": 2.9013262017270884,
"density_atomic": 0.11513696548836075,
"volume": 217.13269838197414,
"volume_molar": 5.23041469301949,
"formula_full": "H12 Pb1 C8 O4",
"formula_reduced": "H12Pb(C2O)4",
"formula_anonymous": "AB4C8D12",
"energy_above_hull": 4.5312793928,
"spacegroup": 2
},
{
"id": "jvasp-113187",
"created_at": "2022-09-04T14:38:47.205440Z",
"updated_at": "2022-09-04T14:38:47.205461Z",
"structure_string": "K2 Mn2 Se4 O16\n1.0\n5.573246 -0.010728 0.195343\n0.271434 7.767075 0.996730\n-0.015183 0.077099 8.114460\nK Mn Se O\n2 2 4 16\ndirect\n-0.000000 0.500000 0.000000 K\n0.500000 0.500000 0.500000 K\n0.500001 -0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.006137 0.207727 0.617040 Se\n0.506138 0.207726 0.117040 Se\n0.993863 0.792273 0.382959 Se\n0.493863 0.792273 0.882960 Se\n0.275313 0.193449 -0.006567 O\n0.775314 0.193448 0.493433 O\n0.493594 0.604405 0.814219 O\n0.993594 0.604405 0.314219 O\n0.506406 0.395594 0.185781 O\n0.006406 0.395594 0.685781 O\n0.502699 0.028559 0.262442 O\n0.233863 0.810410 0.000498 O\n0.497302 0.971440 0.737557 O\n0.997302 0.971440 0.237557 O\n0.224687 0.806551 0.506567 O\n0.733864 0.810409 0.500497 O\n0.766137 0.189590 -0.000498 O\n0.266137 0.189590 0.499502 O\n0.002699 0.028559 0.762443 O\n0.724687 0.806551 0.006567 O\n",
"nsites": 24,
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"elements": [
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"O"
],
"chemical_system": "K-Mn-O-Se",
"density": 3.596241139060257,
"density_atomic": 0.0683994703181675,
"volume": 350.8799101566345,
"volume_molar": 8.804367536747527,
"formula_full": "K2 Mn2 Se4 O16",
"formula_reduced": "KMn(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy_above_hull": 2.487081664559387,
"spacegroup": 2
},
{
"id": "jvasp-112244",
"created_at": "2022-09-04T14:38:47.317001Z",
"updated_at": "2022-09-04T14:38:47.317029Z",
"structure_string": "H20 C18 O4\n1.0\n6.889520 0.090673 -3.052785\n-2.449852 6.416966 -3.334143\n-0.022193 -0.062431 8.017674\nH C O\n20 18 4\ndirect\n0.658670 0.626243 0.746985 H\n0.417735 0.777181 0.839172 H\n0.582266 0.222820 0.160827 H\n0.233190 0.603590 0.557323 H\n0.766810 0.396410 0.442676 H\n0.941245 0.753276 0.831043 H\n0.049279 0.831671 0.699504 H\n0.950722 0.168329 0.300496 H\n0.126025 0.905649 0.194278 H\n0.873976 0.094351 0.805722 H\n0.058756 0.246724 0.168957 H\n0.634751 0.882812 0.654594 H\n0.365250 0.117188 0.345406 H\n0.848683 0.385505 0.781745 H\n0.151318 0.614495 0.218255 H\n0.339159 0.021916 0.742232 H\n0.341331 0.373757 0.253015 H\n0.152953 0.265450 0.711659 H\n0.847048 0.734550 0.288341 H\n0.660841 0.978084 0.257768 H\n0.303235 0.289295 0.721978 C\n0.296733 0.621786 0.717374 C\n0.703268 0.378214 0.282626 C\n0.080051 0.789216 0.820879 C\n0.919950 0.210784 0.179121 C\n0.276460 0.955875 0.207234 C\n0.723540 0.044125 0.792766 C\n0.696766 0.710706 0.278021 C\n0.591130 0.846934 0.259710 C\n0.393467 0.461015 0.724669 C\n0.393666 0.813431 0.235741 C\n0.606335 0.186570 0.764258 C\n0.305763 0.644007 0.237788 C\n0.694238 0.355993 0.762212 C\n0.411872 0.509492 0.258186 C\n0.588129 0.490508 0.741814 C\n0.606533 0.538986 0.275331 C\n0.408870 0.153067 0.740290 C\n0.759981 0.032514 0.979669 O\n0.868862 0.393916 0.237535 O\n0.131138 0.606084 0.762465 O\n0.240019 0.967486 0.020331 O\n",
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"spacegroup": 2
},
{
"id": "jvasp-112253",
"created_at": "2022-09-04T14:38:47.523979Z",
"updated_at": "2022-09-04T14:38:47.524012Z",
"structure_string": "H16 C22 O6\n1.0\n6.443678 -0.025005 1.791581\n2.308635 6.185329 0.440661\n0.050380 0.028359 10.065331\nH C O\n16 22 6\ndirect\n0.826905 0.599599 0.615823 H\n0.138885 0.098585 0.863681 H\n0.861115 0.901416 0.136318 H\n0.825672 0.662769 0.982950 H\n0.384580 0.403673 0.058947 H\n0.615419 0.596328 0.941053 H\n0.103958 0.526901 0.153812 H\n0.896041 0.473100 0.846188 H\n0.174328 0.337232 0.017050 H\n0.717582 0.426682 0.329628 H\n0.385440 0.644982 0.214620 H\n0.614559 0.355020 0.785379 H\n0.338815 0.944810 0.050903 H\n0.661185 0.055191 0.949097 H\n0.173094 0.400402 0.384177 H\n0.282417 0.573319 0.670372 H\n0.228738 0.916315 0.671158 C\n0.789093 0.892165 0.413020 C\n0.210907 0.107836 0.586980 C\n0.756555 0.931659 0.560957 C\n0.807256 0.067911 0.178864 C\n0.773080 0.624219 0.896651 C\n0.226920 0.375782 0.103349 C\n0.192743 0.932091 0.821135 C\n0.771261 0.083687 0.328842 C\n0.243445 0.068342 0.439043 C\n0.274498 0.719655 0.612303 C\n0.316147 0.980336 0.159002 C\n0.299066 0.857735 0.389263 C\n0.700933 0.142266 0.610736 C\n0.339718 0.810866 0.249756 C\n0.660281 0.189135 0.750244 C\n0.683853 0.019665 0.840998 C\n0.255051 0.195906 0.204420 C\n0.744949 0.804095 0.795579 C\n0.221714 0.236431 0.344260 C\n0.778285 0.763570 0.655740 C\n0.725501 0.280346 0.387697 C\n0.827061 0.709868 0.364617 O\n0.687333 0.315161 0.523026 O\n0.312666 0.684840 0.476973 O\n0.781371 0.224630 0.102800 O\n0.218628 0.775371 0.897200 O\n0.172938 0.290133 0.635383 O\n",
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"formula_full": "H16 C22 O6",
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},
{
"id": "jvasp-112248",
"created_at": "2022-09-04T14:38:47.397018Z",
"updated_at": "2022-09-04T14:38:47.397052Z",
"structure_string": "H24 C18 O6\n1.0\n6.428313 0.014809 -1.715442\n-1.317890 7.367518 -3.044616\n0.090201 0.017621 8.381136\nH C O\n24 18 6\ndirect\n0.510487 0.438654 0.720992 H\n0.764857 0.987409 -0.000282 H\n0.479046 0.030858 0.158839 H\n0.520954 0.969142 0.841162 H\n0.254741 0.099061 0.233422 H\n0.745259 0.900940 0.766579 H\n0.254306 0.529164 0.936833 H\n0.745694 0.470836 0.063167 H\n0.466939 0.693280 0.969189 H\n0.533060 0.306720 0.030811 H\n0.211401 0.679643 0.825691 H\n0.788598 0.320358 0.174309 H\n0.235143 0.012591 0.000282 H\n0.519426 0.121166 0.633017 H\n0.480573 0.878835 0.366983 H\n0.785556 0.500910 0.828283 H\n0.214444 0.499091 0.171717 H\n0.568774 0.328407 0.421472 H\n0.489512 0.561346 0.279008 H\n0.775889 0.518678 0.540972 H\n0.224111 0.481322 0.459029 H\n0.823160 0.998566 0.529264 H\n0.176840 0.001435 0.470736 H\n0.431226 0.671593 0.578528 H\n0.845162 0.143524 0.616981 C\n0.307136 -0.000160 0.126795 C\n0.692863 0.000160 0.873206 C\n0.297039 0.667589 0.949865 C\n0.702960 0.332411 0.050135 C\n0.326391 0.792767 0.291984 C\n0.673609 0.207233 0.708016 C\n0.154837 0.856477 0.383020 C\n0.135622 0.743153 0.490767 C\n0.711044 0.389352 0.538290 C\n0.288956 0.610648 0.461711 C\n0.336437 0.600300 0.288041 C\n0.663563 0.399700 0.711959 C\n0.247167 0.807327 0.109261 C\n0.752833 0.192673 0.890739 C\n0.958307 0.814442 0.225576 C\n0.041692 0.185559 0.774425 C\n0.864377 0.256847 0.509233 C\n0.223922 0.186815 0.770241 O\n0.988795 0.226369 0.928700 O\n0.011205 0.773632 0.071301 O\n0.984477 0.240654 0.416731 O\n0.015523 0.759346 0.583270 O\n0.776077 0.813186 0.229759 O\n",
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"density": 1.401260077081991,
"density_atomic": 0.1204151942426808,
"volume": 398.62079118738444,
"volume_molar": 5.00114690498541,
"formula_full": "H24 C18 O6",
"formula_reduced": "H4C3O",
"formula_anonymous": "AB3C4",
"energy_above_hull": 4.4461954375,
"spacegroup": 2
},
{
"id": "jvasp-112251",
"created_at": "2022-09-04T14:38:47.479913Z",
"updated_at": "2022-09-04T14:38:47.479939Z",
"structure_string": "H16 C18 O6\n1.0\n4.559566 -0.062720 0.201328\n1.373165 8.239663 0.318597\n-0.221742 0.152841 9.460873\nH C O\n16 18 6\ndirect\n0.739910 0.145065 0.911368 H\n0.629007 0.261131 0.477345 H\n0.370995 0.738869 0.522655 H\n-0.014397 0.309398 0.524224 H\n0.933026 0.238379 0.350770 H\n0.066976 0.761621 0.649230 H\n0.699393 0.955873 0.141153 H\n0.300609 0.044126 0.858847 H\n0.014399 0.690602 0.475776 H\n0.215363 0.001466 0.681868 H\n0.403093 0.006444 0.266710 H\n0.596909 0.993557 0.733290 H\n0.443670 0.274843 0.257556 H\n0.556333 0.725156 0.742444 H\n0.260093 0.854935 0.088632 H\n0.784638 -0.001467 0.318132 H\n0.847361 0.384231 0.933427 C\n0.828468 0.309842 0.438236 C\n0.171534 0.690157 0.561765 C\n0.632303 0.944732 0.253302 C\n0.367700 0.055267 0.746698 C\n0.948642 0.670337 0.948998 C\n0.051360 0.329662 0.051002 C\n0.152641 0.615768 0.066573 C\n0.203461 0.452066 0.114684 C\n0.501598 0.679363 0.236909 C\n0.404437 0.402624 0.223985 C\n0.595565 0.597376 0.776015 C\n0.553599 0.513561 0.285915 C\n0.446403 0.486438 0.714085 C\n0.498405 0.320637 0.763092 C\n0.302246 0.728818 0.128570 C\n0.697757 0.271181 0.871430 C\n0.796541 0.547933 0.885316 C\n0.247022 0.522925 0.609331 O\n0.092185 0.185341 0.096174 O\n0.907818 0.814658 0.903826 O\n0.340016 0.222180 0.697410 O\n0.659987 0.777820 0.302590 O\n0.752981 0.477075 0.390669 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"H",
"C",
"O"
],
"chemical_system": "C-H-O",
"density": 1.5294946893013155,
"density_atomic": 0.11221909613466408,
"volume": 356.4455727927053,
"volume_molar": 5.3664135315912445,
"formula_full": "H16 C18 O6",
"formula_reduced": "H8(C3O)3",
"formula_anonymous": "A3B8C9",
"energy_above_hull": 5.178639525,
"spacegroup": 2
},
{
"id": "jvasp-117067",
"created_at": "2022-09-04T14:38:47.491116Z",
"updated_at": "2022-09-04T14:38:47.491142Z",
"structure_string": "Li2 Mn4 B4 O12\n1.0\n5.601780 -0.008361 0.977961\n-0.005760 5.275444 0.023328\n-0.105185 0.026280 7.845097\nLi Mn B O\n2 4 4 12\ndirect\n0.046174 0.656071 0.257553 Li\n0.953736 0.344298 0.742675 Li\n0.194694 0.822783 0.559893 Mn\n0.350484 0.704193 0.918265 Mn\n0.650403 0.296169 0.083557 Mn\n0.804481 0.177591 0.437585 Mn\n0.152590 0.174749 0.094867 B\n0.321106 0.322593 0.419462 B\n0.678102 0.676198 0.581025 B\n0.848307 0.826440 0.904638 B\n0.860806 0.803614 0.471705 O\n0.692553 0.424355 0.612926 O\n0.488402 0.815733 0.667638 O\n0.334401 0.323373 0.005419 O\n0.666306 0.676613 0.993274 O\n0.168898 0.917541 0.104784 O\n0.308214 0.574356 0.385879 O\n0.138567 0.197008 0.529522 O\n0.044504 0.695314 0.811232 O\n0.957120 0.307205 0.188542 O\n0.509000 0.180328 0.333202 O\n0.831158 0.083469 0.896362 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"B",
"O"
],
"chemical_system": "B-Li-Mn-O",
"density": 3.350511035292622,
"density_atomic": 0.09467412117244772,
"volume": 232.376067794992,
"volume_molar": 6.360915406894294,
"formula_full": "Li2 Mn4 B4 O12",
"formula_reduced": "LiMn2(BO3)2",
"formula_anonymous": "AB2C2D6",
"energy_above_hull": 3.390803695402299,
"spacegroup": 2
}
]
}