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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=40",
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"results": [
{
"id": "mp-29995",
"created_at": "2022-09-04T14:40:19.917607Z",
"structure_string": "La12 Si4 Br12\n1.0\n-6.144446 6.144446 6.144446\n6.144446 -6.144446 6.144446\n6.144446 6.144446 -6.144446\nLa Si Br\n12 4 12\ndirect\n0.489940 0.750000 0.010060 La\n0.750000 0.239940 0.260060 La\n0.239940 0.260060 0.750000 La\n0.479881 0.489940 0.239940 La\n0.260060 0.010060 0.020119 La\n0.239940 0.479881 0.489940 La\n0.010060 0.020119 0.260060 La\n0.010060 0.489940 0.750000 La\n0.489940 0.239940 0.479881 La\n0.750000 0.010060 0.489940 La\n0.020119 0.260060 0.010060 La\n0.260060 0.750000 0.239940 La\n0.250000 0.250000 0.250000 Si\n0.000000 0.250000 0.500000 Si\n0.250000 0.500000 0.000000 Si\n0.500000 0.000000 0.250000 Si\n0.995727 0.991454 0.745727 Br\n0.754273 0.745727 0.250000 Br\n0.991454 0.745727 0.995727 Br\n0.250000 0.995727 0.504273 Br\n0.745727 0.995727 0.991454 Br\n0.504273 0.250000 0.995727 Br\n0.745727 0.250000 0.754273 Br\n0.504273 0.754273 0.508546 Br\n0.754273 0.508546 0.504273 Br\n0.250000 0.754273 0.745727 Br\n0.508546 0.504273 0.754273 Br\n0.995727 0.504273 0.250000 Br\n",
"nsites": 28,
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"elements": [
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"Br"
],
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"volume": 927.9149818371059,
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"formula_full": "La12 Si4 Br12",
"formula_reduced": "La3SiBr3",
"formula_anonymous": "AB3C3",
"energy": -149.14320268,
"energy_per_atom": -5.326542952857143,
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"updated_at": "2021-11-28T01:34:51.642000Z",
"spacegroup": 214
},
{
"id": "mp-849701",
"created_at": "2022-09-04T14:40:19.920167Z",
"structure_string": "Li6 Fe8 B8 O24\n1.0\n5.256523 0.000000 0.000000\n0.059466 9.094724 0.000000\n0.265813 0.002356 10.200526\nLi Fe B O\n6 8 8 24\ndirect\n0.653588 0.991107 0.919037 Li\n0.163737 0.499436 0.903116 Li\n0.834869 0.508711 0.660646 Li\n0.845886 0.485909 0.168604 Li\n0.332526 0.011448 0.656625 Li\n0.655859 0.002159 0.408173 Li\n0.163355 0.837842 0.880327 Fe\n0.837917 0.839975 0.630685 Fe\n0.341867 0.672572 0.137164 Fe\n0.659955 0.657483 0.386917 Fe\n0.330927 0.343122 0.627806 Fe\n0.162923 0.170699 0.374577 Fe\n0.658179 0.334227 0.881125 Fe\n0.841780 0.152601 0.129039 Fe\n0.158013 0.842379 0.374456 B\n0.333920 0.669301 0.631947 B\n0.831379 0.822194 0.125268 B\n0.666260 0.667660 0.879378 B\n0.340036 0.342420 0.132634 B\n0.663651 0.323120 0.374883 B\n0.162125 0.166262 0.877125 B\n0.828221 0.170421 0.622963 B\n0.291302 0.973392 0.383322 O\n0.087886 0.812947 0.088395 O\n0.701828 0.951783 0.117409 O\n0.220681 0.805431 0.663500 O\n0.289078 0.717249 0.329505 O\n0.776950 0.802102 0.845345 O\n0.901015 0.836940 0.411424 O\n0.413300 0.665383 0.927986 O\n0.191588 0.544064 0.639440 O\n0.593818 0.662807 0.595686 O\n0.708842 0.690205 0.162843 O\n0.206343 0.475134 0.117755 O\n0.803570 0.538271 0.864477 O\n0.274680 0.302101 0.850269 O\n0.413897 0.311385 0.421588 O\n0.779709 0.453419 0.356706 O\n0.598460 0.335274 0.098297 O\n0.087750 0.167446 0.584500 O\n0.206823 0.220609 0.179694 O\n0.715633 0.301340 0.665469 O\n0.795196 0.188676 0.346803 O\n0.306938 0.039135 0.859477 O\n0.906563 0.158702 0.917253 O\n0.687000 0.042681 0.613409 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.2651453319208184,
"density_atomic": 0.09432942161706702,
"volume": 487.65273030866564,
"volume_molar": 6.384159530254571,
"formula_full": "Li6 Fe8 B8 O24",
"formula_reduced": "Li3Fe4(BO3)4",
"formula_anonymous": "A3B4C4D12",
"energy": -357.58490783,
"energy_per_atom": -7.773584952826087,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -323.04890783,
"band_gap": 1.3878,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.834000Z",
"spacegroup": 1
},
{
"id": "mp-909339",
"created_at": "2022-09-04T14:40:19.959593Z",
"structure_string": "Pt4 Pb2 O8\n1.0\n5.743316 0.000000 0.000000\n-2.087539 5.867687 0.000000\n-0.782017 -3.409482 5.797451\nPt Pb O\n4 2 8\ndirect\n0.500000 0.500000 0.500000 Pt\n0.000000 0.000000 0.500000 Pt\n0.500000 0.500000 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.857200 0.959880 0.144104 Pb\n0.142800 0.040120 0.855896 Pb\n0.518498 0.415396 0.723317 O\n0.481502 0.584604 0.276683 O\n0.834561 0.514680 0.158580 O\n0.165439 0.485320 0.841420 O\n0.870216 0.664954 0.495135 O\n0.129784 0.335046 0.504865 O\n0.367770 0.053540 0.275085 O\n0.632230 0.946460 0.724915 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Pt",
"Pb",
"O"
],
"chemical_system": "O-Pb-Pt",
"density": 11.242268597979372,
"density_atomic": 0.07165744149304004,
"volume": 195.37398640390748,
"volume_molar": 8.404068906904692,
"formula_full": "Pt4 Pb2 O8",
"formula_reduced": "Pt2PbO4",
"formula_anonymous": "AB2C4",
"energy": -68.91510914999999,
"energy_per_atom": -4.922507796428571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -63.41910914999999,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.769000Z",
"spacegroup": 2
},
{
"id": "mp-1016928",
"created_at": "2022-09-04T14:40:19.987191Z",
"structure_string": "Mg1 Si1 O3\n1.0\n3.527218 0.000000 0.000000\n0.000000 3.527218 0.000000\n0.000000 0.000000 3.527218\nMg Si O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Si\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Mg",
"Si",
"O"
],
"chemical_system": "Mg-O-Si",
"density": 3.79871770962978,
"density_atomic": 0.11393918221274378,
"volume": 43.8830602686278,
"volume_molar": 5.2853993183448,
"formula_full": "Mg1 Si1 O3",
"formula_reduced": "MgSiO3",
"formula_anonymous": "ABC3",
"energy": -35.71858187,
"energy_per_atom": -7.143716374,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -33.65758187,
"band_gap": 4.4298,
"is_gap_direct": false,
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"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.277000Z",
"spacegroup": 221
},
{
"id": "mp-866810",
"created_at": "2022-09-04T14:40:20.100014Z",
"structure_string": "Ca4 Sn2 S8\n1.0\n3.520961 -5.084508 0.000000\n3.520961 5.084508 0.000000\n0.000000 0.000000 9.736881\nCa Sn S\n4 2 8\ndirect\n0.523994 0.145471 0.250000 Ca\n0.145471 0.523994 0.750000 Ca\n0.792032 0.792032 0.500000 Ca\n0.792032 0.792032 0.000000 Ca\n0.099002 0.543302 0.250000 Sn\n0.543302 0.099002 0.750000 Sn\n0.052448 0.919885 0.250000 S\n0.919885 0.052448 0.750000 S\n0.507501 0.618120 0.250000 S\n0.618120 0.507501 0.750000 S\n0.883980 0.348496 0.447412 S\n0.348496 0.883980 0.552588 S\n0.883980 0.348496 0.052588 S\n0.348496 0.883980 0.947412 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Sn",
"S"
],
"chemical_system": "Ca-S-Sn",
"density": 3.116263327060386,
"density_atomic": 0.040157625762208514,
"volume": 348.6261882836485,
"volume_molar": 14.996256989045671,
"formula_full": "Ca4 Sn2 S8",
"formula_reduced": "Ca2SnS4",
"formula_anonymous": "AB2C4",
"energy": -71.64822126,
"energy_per_atom": -5.11773009,
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"updated_at": "2021-11-28T01:34:49.271000Z",
"spacegroup": 40
},
{
"id": "mp-1184",
"created_at": "2022-09-04T14:40:19.910291Z",
"structure_string": "La8 C12\n1.0\n-4.409441 4.409441 4.409441\n4.409441 -4.409441 4.409441\n4.409441 4.409441 -4.409441\nLa C\n8 12\ndirect\n0.604415 0.604415 0.604415 La\n0.500000 0.000000 0.395585 La\n0.000000 0.395585 0.500000 La\n0.395585 0.500000 0.000000 La\n0.000000 0.895585 0.500000 La\n0.895585 0.500000 0.000000 La\n0.500000 0.000000 0.895585 La\n0.104415 0.104415 0.104415 La\n0.799601 0.049601 0.750000 C\n0.950399 0.200399 0.750000 C\n0.250000 0.549601 0.299601 C\n0.299601 0.250000 0.549601 C\n0.750000 0.950399 0.200399 C\n0.200399 0.750000 0.950399 C\n0.700399 0.450399 0.250000 C\n0.450399 0.250000 0.700399 C\n0.549601 0.299601 0.250000 C\n0.250000 0.700399 0.450399 C\n0.750000 0.799601 0.049601 C\n0.049601 0.750000 0.799601 C\n",
"nsites": 20,
"nelements": 2,
"elements": [
"La",
"C"
],
"chemical_system": "C-La",
"density": 6.078703935325423,
"density_atomic": 0.058320252616636266,
"volume": 342.93404268099584,
"volume_molar": 10.325985382104024,
"formula_full": "La8 C12",
"formula_reduced": "La2C3",
"formula_anonymous": "A2B3",
"energy": -153.54505024,
"energy_per_atom": -7.677252512,
"energy_above_hull": null,
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"energy_uncorrected": -153.54505024,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:54.688000Z",
"spacegroup": 220
},
{
"id": "mp-1096649",
"created_at": "2022-09-04T14:40:19.915225Z",
"structure_string": "Ta1 V1 Ru2\n1.0\n-4.548650 5.277341 7.468231\n4.548650 -5.277341 7.468231\n4.548650 5.277341 -7.468231\nTa V Ru\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 V\n0.000000 0.253836 0.253836 Ru\n0.000000 0.746164 0.746164 Ru\n",
"nsites": 4,
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"elements": [
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"V",
"Ru"
],
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"density": 1.0050619082937102,
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"volume": 717.0928831297018,
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"formula_full": "Ta1 V1 Ru2",
"formula_reduced": "TaVRu2",
"formula_anonymous": "ABC2",
"energy": -24.81544148,
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"energy_uncorrected": -24.81544148,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:01.826000Z",
"spacegroup": 71
},
{
"id": "mp-760171",
"created_at": "2022-09-04T14:40:19.917651Z",
"structure_string": "Na11 Mn24 O48\n1.0\n6.189992 0.000000 0.000000\n-0.874570 12.292876 0.000000\n-2.843767 -3.118305 12.868230\nNa Mn O\n11 24 48\ndirect\n0.308838 0.017997 0.586447 Na\n0.968257 0.352475 0.911102 Na\n0.375497 0.313032 0.751266 Na\n0.953439 0.855371 0.921025 Na\n0.277978 0.525901 0.585945 Na\n0.628066 0.186335 0.253472 Na\n0.692575 0.480886 0.417096 Na\n0.040017 0.147061 0.085755 Na\n0.031871 0.642330 0.075296 Na\n0.723632 0.976427 0.416959 Na\n0.623493 0.686257 0.245434 Na\n0.491345 0.000067 0.999022 Mn\n0.505765 0.247411 0.001871 Mn\n0.172813 0.078041 0.833644 Mn\n0.506807 0.499351 0.997568 Mn\n0.672478 0.078254 0.834312 Mn\n0.492384 0.752897 0.993635 Mn\n0.159009 0.591704 0.832970 Mn\n0.659463 0.591315 0.832904 Mn\n0.843093 0.161325 0.666585 Mn\n0.822592 0.421566 0.667681 Mn\n0.501114 0.249840 0.501035 Mn\n0.176995 0.079348 0.335537 Mn\n0.828132 0.673969 0.671151 Mn\n0.000208 0.250137 0.500970 Mn\n0.160593 0.338294 0.336067 Mn\n0.155644 0.586296 0.328495 Mn\n0.844406 0.911950 0.671883 Mn\n0.499629 0.751127 0.502892 Mn\n0.003722 0.750459 0.502890 Mn\n0.172890 0.827762 0.329231 Mn\n0.330018 0.415530 0.164602 Mn\n0.831566 0.415986 0.165648 Mn\n0.335024 0.912187 0.164928 Mn\n0.836761 0.915285 0.163960 Mn\n0.283265 0.113859 0.988751 O\n0.697281 0.123667 0.990447 O\n0.415895 0.196139 0.851821 O\n0.073211 0.037038 0.684750 O\n0.274646 0.632794 0.983298 O\n0.696616 0.639998 0.987590 O\n0.433845 0.481870 0.849986 O\n0.041708 0.282149 0.650816 O\n0.932880 0.177084 0.826197 O\n0.646663 0.035530 0.680189 O\n0.034536 0.553081 0.680806 O\n0.432289 0.697134 0.843233 O\n0.888016 0.486827 0.828637 O\n0.606667 0.293938 0.650354 O\n0.231799 0.144990 0.493492 O\n0.890998 0.694772 0.819764 O\n0.038877 0.796192 0.663048 O\n0.740040 0.149074 0.508585 O\n0.414789 0.980185 0.846267 O\n0.612468 0.554952 0.684019 O\n0.261253 0.351887 0.491620 O\n0.768186 0.354181 0.508031 O\n0.394187 0.204228 0.351406 O\n0.106021 0.015294 0.173266 O\n0.248550 0.636071 0.479600 O\n0.930847 0.966606 0.821204 O\n0.625454 0.785358 0.663324 O\n0.773008 0.646395 0.520476 O\n0.230697 0.854789 0.479698 O\n0.553818 0.023005 0.148504 O\n0.960467 0.217691 0.351082 O\n0.356216 0.466149 0.319148 O\n0.071868 0.318827 0.179562 O\n0.375393 0.715012 0.338872 O\n0.070187 0.531183 0.177431 O\n0.749674 0.863288 0.520743 O\n0.926570 0.465539 0.316162 O\n0.590839 0.300041 0.152339 O\n0.964119 0.705333 0.338976 O\n0.388947 0.944222 0.314414 O\n0.587758 0.514035 0.150265 O\n0.109163 0.804909 0.178713 O\n0.305155 0.363753 0.011338 O\n0.734175 0.367253 0.013937 O\n0.567938 0.810332 0.150058 O\n0.963863 0.944810 0.318759 O\n0.292985 0.872607 0.009878 O\n0.705056 0.889260 0.009862 O\n",
"nsites": 83,
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"elements": [
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"Mn",
"O"
],
"chemical_system": "Mn-Na-O",
"density": 3.967216795150243,
"density_atomic": 0.08476482878630148,
"volume": 979.1797044650353,
"volume_molar": 7.104527722438125,
"formula_full": "Na11 Mn24 O48",
"formula_reduced": "Na11Mn24O48",
"formula_anonymous": "A11B24C48",
"energy": -632.3055610600001,
"energy_per_atom": -7.618139289879519,
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"updated_at": "2021-11-28T01:34:53.447000Z",
"spacegroup": 1
},
{
"id": "mp-1289063",
"created_at": "2022-09-04T14:40:19.928605Z",
"structure_string": "Li20 Ni4 O4 F20\n1.0\n4.758822 -2.747507 0.003280\n-1.579487 2.743258 15.251918\n-3.170218 -5.490992 -0.000524\nLi Ni O F\n20 4 4 20\ndirect\n0.502518 0.338299 0.584730 Li\n0.002522 0.338310 0.334501 Li\n0.502495 0.338290 0.084747 Li\n0.002519 0.338309 0.834506 Li\n0.664449 0.662082 0.665581 Li\n0.164352 0.662109 0.415355 Li\n0.664491 0.662078 0.165484 Li\n0.164452 0.662128 0.915450 Li\n0.916491 0.500146 0.624988 Li\n0.416488 0.500150 0.375004 Li\n0.916481 0.500142 0.124974 Li\n0.416474 0.500140 0.875005 Li\n0.755512 0.176741 0.543637 Li\n0.255678 0.176718 0.294617 Li\n0.755644 0.176727 0.043405 Li\n0.255472 0.176725 0.794465 Li\n0.079145 0.824896 0.705457 Li\n0.579003 0.824789 0.457108 Li\n0.079060 0.825197 0.205247 Li\n0.579221 0.825077 0.957434 Li\n0.828145 0.991492 0.752579 Ni\n0.327821 0.991556 0.493375 Ni\n0.827796 0.991660 0.252908 Ni\n0.328132 0.991697 0.993160 Ni\n0.143824 0.955478 0.735160 O\n0.643538 0.955462 0.492862 O\n0.144293 0.955991 0.235337 O\n0.644396 0.955874 0.992764 O\n0.564459 0.462343 0.615537 F\n0.064464 0.462356 0.365513 F\n0.564445 0.462340 0.115547 F\n0.064446 0.462337 0.865501 F\n0.726651 0.786263 0.697324 F\n0.226423 0.786304 0.445776 F\n0.726717 0.786231 0.197210 F\n0.226688 0.786309 0.945986 F\n0.404236 0.139961 0.535486 F\n0.904178 0.140022 0.284446 F\n0.404293 0.140073 0.035361 F\n0.904163 0.139870 0.784277 F\n0.817031 0.300594 0.574951 F\n0.316993 0.300592 0.325294 F\n0.817042 0.300603 0.074928 F\n0.316985 0.300576 0.825244 F\n0.978832 0.624277 0.656011 F\n0.478812 0.624305 0.406116 F\n0.978807 0.624248 0.155982 F\n0.478788 0.624262 0.906103 F\n",
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],
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"formula_full": "Li20 Ni4 O4 F20",
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"updated_at": "2021-11-28T01:34:52.850000Z",
"spacegroup": 9
},
{
"id": "mp-675208",
"created_at": "2022-09-04T14:40:19.931286Z",
"structure_string": "Co1 Mo12 Se16\n1.0\n9.329858 0.000000 0.000000\n4.343111 8.344619 0.000000\n4.358852 2.674747 7.897550\nCo Mo Se\n1 12 16\ndirect\n0.298160 0.205907 0.850779 Co\n0.131188 0.453736 0.324782 Mo\n0.320885 0.133455 0.447109 Mo\n0.049452 0.186353 0.364502 Mo\n0.447537 0.323166 0.134539 Mo\n0.174199 0.374048 0.052419 Mo\n0.369866 0.048765 0.170638 Mo\n0.632487 0.952567 0.820697 Mo\n0.819912 0.632717 0.950904 Mo\n0.548769 0.679141 0.868405 Mo\n0.950812 0.821637 0.631203 Mo\n0.681169 0.868063 0.546396 Mo\n0.866754 0.548987 0.679432 Mo\n0.121527 0.497269 0.755514 Se\n0.005784 0.254015 0.618305 Se\n0.391155 0.392329 0.392663 Se\n0.248419 0.621529 0.009422 Se\n0.247297 0.883757 0.489136 Se\n0.616096 0.005032 0.255588 Se\n0.105013 0.098292 0.114011 Se\n0.512156 0.243520 0.878045 Se\n0.506729 0.751673 0.118436 Se\n0.894083 0.889653 0.889070 Se\n0.377565 0.989344 0.741957 Se\n0.756536 0.117484 0.504787 Se\n0.744815 0.381884 0.994744 Se\n0.607258 0.608760 0.609872 Se\n0.994505 0.746047 0.382525 Se\n0.879373 0.498373 0.246621 Se\n",
"nsites": 29,
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"elements": [
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],
"chemical_system": "Co-Mo-Se",
"density": 6.680361017778749,
"density_atomic": 0.047165459250819185,
"volume": 614.8567290690871,
"volume_molar": 12.768116447197333,
"formula_full": "Co1 Mo12 Se16",
"formula_reduced": "Co(Mo3Se4)4",
"formula_anonymous": "AB12C16",
"energy": -214.83565561,
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"spacegroup": 1
},
{
"id": "mp-1174334",
"created_at": "2022-09-04T14:40:19.933554Z",
"structure_string": "Li10 Mn4 Co2 O16\n1.0\n-5.749102 -0.317587 0.181519\n-2.697832 -0.309938 5.178185\n-0.525719 9.519306 2.018679\nLi Mn Co O\n10 4 2 16\ndirect\n0.374289 0.251098 0.249498 Li\n0.875707 0.248908 0.250498 Li\n0.125000 0.750001 0.750000 Li\n0.625000 0.750001 0.750001 Li\n0.875813 0.750014 0.249544 Li\n0.374186 0.749987 0.250455 Li\n0.748448 0.998206 0.488386 Li\n0.247224 0.001735 0.490931 Li\n0.002776 0.498266 0.009069 Li\n0.501548 0.501797 0.011614 Li\n0.512223 0.979130 0.007699 Mn\n0.737780 0.520868 0.492300 Mn\n0.013573 0.981307 0.007053 Mn\n0.236425 0.518696 0.492944 Mn\n0.625000 0.250002 0.750001 Co\n0.124999 0.250001 0.750001 Co\n0.198184 0.110320 0.110669 O\n0.694328 0.114642 0.108142 O\n0.051818 0.389680 0.389330 O\n0.555671 0.385358 0.391856 O\n0.074348 0.849978 0.386107 O\n0.572269 0.850013 0.385851 O\n0.677734 0.649982 0.114150 O\n0.175656 0.650013 0.113896 O\n0.935370 0.620468 0.613254 O\n0.439521 0.612134 0.616195 O\n0.810476 0.887868 0.883807 O\n0.314632 0.879533 0.886747 O\n0.843425 0.340945 0.871327 O\n0.328693 0.341898 0.866777 O\n0.406578 0.159053 0.628673 O\n0.921309 0.158099 0.633225 O\n",
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],
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"formula_full": "Li10 Mn4 Co2 O16",
"formula_reduced": "Li5Mn2CoO8",
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},
{
"id": "mp-1196917",
"created_at": "2022-09-04T14:40:18.627205Z",
"structure_string": "B4 Mo2 Pb12 O24\n1.0\n3.231465 -9.366622 0.000000\n3.231465 9.366622 0.000000\n0.000000 0.000000 11.929326\nB Mo Pb O\n4 2 12 24\ndirect\n0.746105 0.253895 0.500000 B\n0.746105 0.253895 0.000000 B\n0.253895 0.746105 0.500000 B\n0.253895 0.746105 0.000000 B\n0.266627 0.266627 0.250000 Mo\n0.733373 0.733373 0.750000 Mo\n0.096062 0.510336 0.250000 Pb\n0.489664 0.903938 0.750000 Pb\n0.903938 0.489664 0.750000 Pb\n0.510336 0.096062 0.250000 Pb\n0.867370 0.654942 0.407904 Pb\n0.345058 0.132630 0.592096 Pb\n0.867370 0.654942 0.092096 Pb\n0.345058 0.132630 0.907904 Pb\n0.132630 0.345058 0.592096 Pb\n0.654942 0.867370 0.407904 Pb\n0.132630 0.345058 0.907904 Pb\n0.654942 0.867370 0.092096 Pb\n0.162338 0.727922 0.403117 O\n0.272078 0.837662 0.596883 O\n0.162338 0.727922 0.096883 O\n0.272078 0.837662 0.903117 O\n0.837662 0.272078 0.596883 O\n0.727922 0.162338 0.403117 O\n0.837662 0.272078 0.903117 O\n0.727922 0.162338 0.096883 O\n0.671264 0.328736 0.500000 O\n0.671264 0.328736 0.000000 O\n0.328736 0.671264 0.500000 O\n0.328736 0.671264 0.000000 O\n0.780578 0.483126 0.250000 O\n0.516874 0.219422 0.750000 O\n0.219422 0.516874 0.750000 O\n0.483126 0.780578 0.250000 O\n0.175926 0.020291 0.250000 O\n0.979709 0.824074 0.750000 O\n0.824074 0.979709 0.750000 O\n0.020291 0.175926 0.250000 O\n0.424400 0.424400 0.373815 O\n0.575600 0.575600 0.626185 O\n0.424400 0.424400 0.126185 O\n0.575600 0.575600 0.873815 O\n",
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}
]
}