GET /third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12150
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 146323,
    "next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12151",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=12149",
    "results": [
        {
            "id": "mp-3748",
            "created_at": "2022-09-04T14:47:44.611499Z",
            "structure_string": "Al1 Cu1 O2\n1.0\n5.754577 -1.439372 0.000000\n5.754577 1.439372 0.000000\n5.394552 0.000000 2.466933\nAl Cu O\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Al\n0.000000 0.000000 0.000000 Cu\n0.889957 0.889957 0.889957 O\n0.110043 0.110043 0.110043 O\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "Cu",
                "O"
            ],
            "chemical_system": "Al-Cu-O",
            "density": 4.978571485833173,
            "density_atomic": 0.09787824764648843,
            "volume": 40.86709862692875,
            "volume_molar": 6.152685509604192,
            "formula_full": "Al1 Cu1 O2",
            "formula_reduced": "AlCuO2",
            "formula_anonymous": "ABC2",
            "energy": -27.40972221,
            "energy_per_atom": -6.8524305525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -26.03572221,
            "band_gap": 1.7978000000000005,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004079,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:19.461000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-22904",
            "created_at": "2022-09-04T14:47:44.591131Z",
            "structure_string": "Ca2 Cl4\n1.0\n6.439033 0.000000 0.000000\n0.000000 6.439033 0.000000\n0.000000 0.000000 4.223217\nCa Cl\n2 4\ndirect\n0.500000 0.500000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.695667 0.695667 0.000000 Cl\n0.195667 0.804333 0.500000 Cl\n0.304333 0.304333 0.000000 Cl\n0.804333 0.195667 0.500000 Cl\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Ca",
                "Cl"
            ],
            "chemical_system": "Ca-Cl",
            "density": 2.105012928411777,
            "density_atomic": 0.03426624782192834,
            "volume": 175.09941652147745,
            "volume_molar": 17.574555554770114,
            "formula_full": "Ca2 Cl4",
            "formula_reduced": "CaCl2",
            "formula_anonymous": "AB2",
            "energy": -28.22633406,
            "energy_per_atom": -4.70438901,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -25.77033406,
            "band_gap": 5.3533,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 4.1e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:16.455000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-1207447",
            "created_at": "2022-09-04T14:47:44.439680Z",
            "structure_string": "Zr2 Si1 O2\n1.0\n3.144421 0.000000 0.000000\n0.000000 3.144421 0.000000\n0.000000 0.000000 11.774436\nZr Si O\n2 1 2\ndirect\n0.500000 0.500000 0.239746 Zr\n0.500000 0.500000 0.760254 Zr\n0.500000 0.500000 0.000000 Si\n0.500000 0.500000 0.610585 O\n0.500000 0.500000 0.389415 O\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Zr",
                "Si",
                "O"
            ],
            "chemical_system": "O-Si-Zr",
            "density": 3.4593714211444886,
            "density_atomic": 0.042948550866117076,
            "volume": 116.41836334796093,
            "volume_molar": 14.021755422604912,
            "formula_full": "Zr2 Si1 O2",
            "formula_reduced": "Zr2SiO2",
            "formula_anonymous": "AB2C2",
            "energy": -34.46711488,
            "energy_per_atom": -6.893422975999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.16411488,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016418,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.062000Z",
            "spacegroup": 123
        },
        {
            "id": "mp-9998",
            "created_at": "2022-09-04T14:47:44.700527Z",
            "structure_string": "Mo4 As4\n1.0\n3.386298 0.000000 0.000000\n0.000000 6.047021 0.000000\n0.000000 0.000000 6.449676\nMo As\n4 4\ndirect\n0.250000 0.513514 0.684063 Mo\n0.750000 0.486486 0.315937 Mo\n0.250000 0.013514 0.815937 Mo\n0.750000 0.986486 0.184063 Mo\n0.250000 0.687858 0.068218 As\n0.750000 0.312142 0.931782 As\n0.250000 0.187858 0.431782 As\n0.750000 0.812142 0.568218 As\n",
            "nsites": 8,
            "nelements": 2,
            "elements": [
                "Mo",
                "As"
            ],
            "chemical_system": "As-Mo",
            "density": 8.593083035160324,
            "density_atomic": 0.06057388625412235,
            "volume": 132.07011295986578,
            "volume_molar": 9.94181013041765,
            "formula_full": "Mo4 As4",
            "formula_reduced": "MoAs",
            "formula_anonymous": "AB",
            "energy": -63.87155519,
            "energy_per_atom": -7.98394439875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.87155519,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0013342,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:24.028000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-18317",
            "created_at": "2022-09-04T14:47:44.777912Z",
            "structure_string": "Na20 Sn4 P12\n1.0\n7.493000 0.000000 0.000000\n0.000000 8.350736 0.000000\n0.000000 8.265902 13.399226\nNa Sn P\n20 4 12\ndirect\n0.496252 0.092834 0.240045 Na\n0.996252 0.907166 0.259955 Na\n0.503748 0.907166 0.759955 Na\n0.003748 0.092834 0.740045 Na\n0.040083 0.411729 0.411072 Na\n0.540083 0.588271 0.088928 Na\n0.959917 0.588271 0.588928 Na\n0.459917 0.411729 0.911072 Na\n0.521970 0.252564 0.412023 Na\n0.021970 0.747436 0.087977 Na\n0.478030 0.747436 0.587977 Na\n0.978030 0.252564 0.912023 Na\n0.660457 0.995334 0.082154 Na\n0.160457 0.004666 0.417846 Na\n0.339543 0.004666 0.917846 Na\n0.839543 0.995334 0.582154 Na\n0.857729 0.315090 0.257585 Na\n0.357729 0.684910 0.242415 Na\n0.142271 0.684910 0.742415 Na\n0.642271 0.315090 0.757585 Na\n0.647164 0.661182 0.410952 Sn\n0.147164 0.338818 0.089048 Sn\n0.352836 0.338818 0.589048 Sn\n0.852836 0.661182 0.910952 Sn\n0.701975 0.334687 0.571051 P\n0.201975 0.665313 0.928949 P\n0.298025 0.665313 0.428949 P\n0.798025 0.334687 0.071051 P\n0.767516 0.938308 0.417840 P\n0.267516 0.061692 0.082160 P\n0.232484 0.061692 0.582160 P\n0.732484 0.938308 0.917840 P\n0.745158 0.638609 0.263726 P\n0.245158 0.361391 0.236274 P\n0.254842 0.361391 0.736274 P\n0.754842 0.638609 0.763726 P\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Na",
                "Sn",
                "P"
            ],
            "chemical_system": "Na-P-Sn",
            "density": 2.5872515188240204,
            "density_atomic": 0.04293804845655635,
            "volume": 838.4172381850076,
            "volume_molar": 14.02518506655712,
            "formula_full": "Na20 Sn4 P12",
            "formula_reduced": "Na5SnP3",
            "formula_anonymous": "AB3C5",
            "energy": -120.54641182,
            "energy_per_atom": -3.3485114394444446,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -120.54641182,
            "band_gap": 1.0383,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020207,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:22.823000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1215974",
            "created_at": "2022-09-04T14:47:45.964344Z",
            "structure_string": "Yb3 Y9 Al20 O48\n1.0\n6.061007 8.562755 0.000000\n-6.061007 8.562755 0.000000\n0.000000 8.538456 8.581002\nYb Y Al O\n3 9 20 48\ndirect\n0.750414 0.748866 0.375127 Yb\n0.251134 0.249586 0.624873 Yb\n0.624430 0.375570 0.500000 Yb\n0.876441 0.123559 0.000000 Y\n0.623379 0.125338 0.376817 Y\n0.874662 0.376621 0.623183 Y\n0.249994 0.250005 0.125070 Y\n0.749995 0.750006 0.874930 Y\n0.375076 0.624924 0.000000 Y\n0.124845 0.875155 0.500000 Y\n0.375019 0.875001 0.125005 Y\n0.124999 0.624981 0.874995 Y\n0.750098 0.749887 0.125799 Al\n0.250113 0.249902 0.874201 Al\n0.874198 0.125802 0.500000 Al\n0.625030 0.374970 0.000000 Al\n0.375007 0.874903 0.624974 Al\n0.125097 0.624993 0.375026 Al\n0.249935 0.250217 0.376017 Al\n0.749783 0.750065 0.623983 Al\n0.124945 0.875055 0.000000 Al\n0.375420 0.624580 0.500000 Al\n0.624488 0.125315 0.875019 Al\n0.874685 0.375512 0.124981 Al\n0.501101 0.499721 0.748284 Al\n0.999666 0.999053 0.249739 Al\n0.500279 0.498899 0.251716 Al\n0.000947 0.000334 0.750261 Al\n0.998686 0.500911 0.251028 Al\n0.499089 0.001314 0.748972 Al\n0.500539 0.998680 0.251180 Al\n0.001320 0.499461 0.748820 Al\n0.802521 0.596461 0.267592 O\n0.700086 0.904382 0.165180 O\n0.403539 0.197479 0.732408 O\n0.095618 0.299914 0.834820 O\n0.680383 0.115276 0.549925 O\n0.884724 0.319617 0.450075 O\n0.618082 0.179837 0.151858 O\n0.820163 0.381918 0.848142 O\n0.517753 0.920053 0.429542 O\n0.420043 0.017881 0.632583 O\n0.982119 0.579957 0.367417 O\n0.079947 0.482247 0.570458 O\n0.199844 0.401631 0.230020 O\n0.300115 0.098434 0.331526 O\n0.598369 0.800156 0.769980 O\n0.901566 0.699885 0.668474 O\n0.320623 0.881190 0.949881 O\n0.118810 0.679377 0.050119 O\n0.381639 0.820360 0.348372 O\n0.179640 0.618361 0.651628 O\n0.480022 0.080976 0.070832 O\n0.581259 0.980087 0.868010 O\n0.019913 0.418741 0.131990 O\n0.919024 0.519978 0.929168 O\n0.479652 0.418618 0.949792 O\n0.581382 0.520348 0.050208 O\n0.019678 0.081554 0.348225 O\n0.918446 0.980322 0.651775 O\n0.199823 0.098602 0.070280 O\n0.299973 0.401659 0.868503 O\n0.598341 0.700027 0.131497 O\n0.901398 0.800177 0.929720 O\n0.320778 0.618097 0.230247 O\n0.118463 0.820639 0.331179 O\n0.381903 0.679222 0.769753 O\n0.179361 0.881537 0.668821 O\n0.517663 0.583491 0.551986 O\n0.416509 0.482337 0.448014 O\n0.982269 0.920270 0.150347 O\n0.079730 0.017731 0.849653 O\n0.799990 0.904701 0.430249 O\n0.699775 0.595494 0.634819 O\n0.404506 0.300225 0.365181 O\n0.095299 0.200010 0.569751 O\n0.679607 0.382919 0.267934 O\n0.881775 0.180014 0.168357 O\n0.617081 0.320393 0.732066 O\n0.819986 0.118225 0.831643 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Yb",
                "Y",
                "Al",
                "O"
            ],
            "chemical_system": "Al-O-Y-Yb",
            "density": 4.897361241466832,
            "density_atomic": 0.08981806291590456,
            "volume": 890.689438213591,
            "volume_molar": 6.704821462959459,
            "formula_full": "Yb3 Y9 Al20 O48",
            "formula_reduced": "Yb3Y9Al20O48",
            "formula_anonymous": "A3B9C20D48",
            "energy": -660.45424903,
            "energy_per_atom": -8.255678112875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -627.47824903,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.9991157,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:23.232000Z",
            "spacegroup": 5
        },
        {
            "id": "mp-767633",
            "created_at": "2022-09-04T14:47:44.327748Z",
            "structure_string": "Li8 Ti18 O40\n1.0\n5.973842 0.000000 0.000000\n-2.980485 5.180049 0.000000\n-2.977124 -1.712779 24.433124\nLi Ti O\n8 18 40\ndirect\n0.998335 0.999994 0.999150 Li\n0.499689 0.748146 0.251181 Li\n0.597059 0.801417 0.398668 Li\n0.302952 0.151576 0.453863 Li\n0.955055 0.473827 0.425480 Li\n0.198815 0.602948 0.802229 Li\n0.443794 0.468644 0.924411 Li\n0.902586 0.944895 0.850289 Li\n0.743272 0.885226 0.126555 Ti\n0.358227 0.659192 0.019189 Ti\n0.047676 0.285096 0.324630 Ti\n0.235410 0.858995 0.121181 Ti\n0.257238 0.374619 0.125057 Ti\n0.558074 0.278128 0.327428 Ti\n0.154225 0.066209 0.223581 Ti\n0.045769 0.772644 0.327999 Ti\n0.854005 0.184834 0.523081 Ti\n0.747238 0.878727 0.620428 Ti\n0.337645 0.670223 0.524484 Ti\n0.659734 0.088956 0.726428 Ti\n0.638251 0.576338 0.722020 Ti\n0.848996 0.673836 0.521886 Ti\n0.539872 0.285767 0.828709 Ti\n0.145596 0.060330 0.721999 Ti\n0.936806 0.469249 0.926471 Ti\n0.448149 0.965608 0.922907 Ti\n0.529576 0.546051 0.080500 O\n0.532337 0.986592 0.082145 O\n0.443775 0.720612 0.168884 O\n0.089187 0.543553 0.081668 O\n0.892328 0.944556 0.277544 O\n0.052331 0.026315 0.082914 O\n0.969584 0.767061 0.172473 O\n0.966046 0.199191 0.172254 O\n0.754848 0.143970 0.366350 O\n0.333357 0.945394 0.277261 O\n0.331474 0.385500 0.277550 O\n0.144767 0.339328 0.483004 O\n0.677551 0.340316 0.482451 O\n0.044141 0.523927 0.565045 O\n0.247251 0.121773 0.368099 O\n0.856453 0.429380 0.284424 O\n0.222801 0.611780 0.366628 O\n0.403439 0.204453 0.172234 O\n0.656691 0.829743 0.480909 O\n0.366149 0.406369 0.772143 O\n0.571483 0.003760 0.572286 O\n0.572390 0.572596 0.572048 O\n0.755087 0.611871 0.367064 O\n0.932606 0.180848 0.679636 O\n0.145904 0.806171 0.482485 O\n0.495688 0.744280 0.679491 O\n0.846192 0.919356 0.767981 O\n0.815322 0.403544 0.770420 O\n0.002596 0.001996 0.572185 O\n0.455151 0.226789 0.684650 O\n0.615643 0.820304 0.976089 O\n0.248445 0.641042 0.883601 O\n0.365051 0.954707 0.769961 O\n0.153902 0.359003 0.976131 O\n0.166488 0.804155 0.974340 O\n0.733039 0.137106 0.875023 O\n0.746148 0.586151 0.873278 O\n0.932492 0.743984 0.679562 O\n0.653704 0.308719 0.962656 O\n0.283951 0.123370 0.873080 O\n",
            "nsites": 66,
            "nelements": 3,
            "elements": [
                "Li",
                "Ti",
                "O"
            ],
            "chemical_system": "Li-O-Ti",
            "density": 3.41980853894709,
            "density_atomic": 0.08729258141427514,
            "volume": 756.0779957551683,
            "volume_molar": 6.898800175721676,
            "formula_full": "Li8 Ti18 O40",
            "formula_reduced": "Li4Ti9O20",
            "formula_anonymous": "A4B9C20",
            "energy": -570.10093232,
            "energy_per_atom": -8.637892913939394,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -542.62093232,
            "band_gap": 1.4587,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0086168,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:20.106000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-978595",
            "created_at": "2022-09-04T14:47:44.335830Z",
            "structure_string": "Si8 H48 C16\n1.0\n9.033571 0.000000 0.000000\n3.773344 8.441839 0.000000\n1.325963 1.857014 9.444960\nSi H C\n8 48 16\ndirect\n0.828186 0.338791 0.332505 Si\n0.171814 0.661209 0.667495 Si\n0.014951 0.642632 0.070758 Si\n0.985049 0.357368 0.929242 Si\n0.035352 0.370645 0.161779 Si\n0.964648 0.629355 0.838221 Si\n0.297558 0.183002 0.239531 Si\n0.702442 0.816998 0.760469 Si\n0.443048 0.187653 0.997438 H\n0.556952 0.812347 0.002562 H\n0.260963 0.201323 0.500200 H\n0.739037 0.798677 0.499800 H\n0.429956 0.879976 0.304697 H\n0.570044 0.120024 0.695303 H\n0.468107 0.134459 0.442666 H\n0.531893 0.865541 0.557334 H\n0.340340 0.341153 0.399229 H\n0.659660 0.658847 0.600771 H\n0.218331 0.945091 0.342893 H\n0.781669 0.054909 0.657107 H\n0.296182 0.938954 0.166424 H\n0.703818 0.061046 0.833576 H\n0.938734 0.035633 0.362406 H\n0.061266 0.964367 0.637594 H\n0.795259 0.128000 0.229995 H\n0.204741 0.872000 0.770005 H\n0.728446 0.112093 0.410492 H\n0.271554 0.887907 0.589508 H\n0.582002 0.518293 0.185499 H\n0.417998 0.481707 0.814501 H\n0.613526 0.621417 0.303493 H\n0.386474 0.378583 0.696507 H\n0.526374 0.477001 0.367498 H\n0.473626 0.522999 0.632502 H\n0.580785 0.115470 0.134062 H\n0.419215 0.884530 0.865938 H\n0.465211 0.324991 0.085080 H\n0.534789 0.675009 0.914920 H\n0.892837 0.451717 0.519663 H\n0.107163 0.548283 0.480337 H\n0.982765 0.238236 0.555910 H\n0.017235 0.761764 0.444090 H\n0.725161 0.801659 0.151051 H\n0.274839 0.198341 0.848949 H\n0.837264 0.925711 0.100151 H\n0.162736 0.074289 0.899849 H\n0.864826 0.793394 0.266909 H\n0.135174 0.206606 0.733091 H\n0.248058 0.648932 0.184577 H\n0.751942 0.351068 0.815423 H\n0.772780 0.338873 0.592883 H\n0.227220 0.661127 0.407117 H\n0.190934 0.802819 0.031839 H\n0.809066 0.197181 0.968161 H\n0.309713 0.601170 0.014133 H\n0.690287 0.398830 0.985867 H\n0.311175 0.967795 0.265875 C\n0.688825 0.032205 0.734125 C\n0.873866 0.342138 0.516639 C\n0.126134 0.657862 0.483361 C\n0.208753 0.675986 0.076316 C\n0.791247 0.324014 0.923684 C\n0.844288 0.804964 0.155434 C\n0.155712 0.195036 0.844566 C\n0.345221 0.217896 0.411255 C\n0.654779 0.782104 0.588745 C\n0.460579 0.204977 0.101019 C\n0.539421 0.795023 0.898981 C\n0.619185 0.503359 0.292174 C\n0.380815 0.496641 0.707826 C\n0.822007 0.135275 0.334430 C\n0.177993 0.864725 0.665570 C\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Si",
                "H",
                "C"
            ],
            "chemical_system": "C-H-Si",
            "density": 1.0725710208228592,
            "density_atomic": 0.09996220928326267,
            "volume": 720.2721960253376,
            "volume_molar": 6.024417430526244,
            "formula_full": "Si8 H48 C16",
            "formula_reduced": "Si(H3C)2",
            "formula_anonymous": "AB2C6",
            "energy": -366.8079094,
            "energy_per_atom": -5.094554297222222,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -366.8079094,
            "band_gap": 3.5325,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006356,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:23.560000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-699686",
            "created_at": "2022-09-04T14:47:44.450288Z",
            "structure_string": "Sr51 W12 N56 O3\n1.0\n11.234711 0.000000 0.000000\n-4.470057 12.405558 0.000000\n-1.578492 -4.486574 16.308729\nSr W N O\n51 12 56 3\ndirect\n0.921480 0.359145 0.330067 Sr\n0.875709 0.344182 0.542586 Sr\n0.796649 0.546233 0.473503 Sr\n0.593651 0.236338 0.626201 Sr\n0.604336 0.198861 0.835618 Sr\n0.849934 0.497018 0.934306 Sr\n0.466341 0.522867 0.401997 Sr\n0.066813 0.822493 0.848368 Sr\n0.533659 0.477133 0.598003 Sr\n0.762967 0.720474 0.902216 Sr\n0.237033 0.279526 0.097784 Sr\n0.355924 0.901963 0.746626 Sr\n0.744935 0.814003 0.494134 Sr\n0.679742 0.018286 0.674016 Sr\n0.009334 0.952755 0.199953 Sr\n0.078520 0.640855 0.669933 Sr\n0.455891 0.607833 0.975816 Sr\n0.912638 0.310840 0.751168 Sr\n0.285470 0.133948 0.722087 Sr\n0.577528 0.334161 0.231950 Sr\n0.309787 0.044784 0.122814 Sr\n0.255065 0.185997 0.505866 Sr\n0.359318 0.858344 0.948022 Sr\n0.150066 0.502982 0.065694 Sr\n0.124291 0.655818 0.457414 Sr\n0.238260 0.232593 0.298978 Sr\n0.544109 0.392167 0.024184 Sr\n0.320258 0.981714 0.325984 Sr\n0.142085 0.577670 0.856735 Sr\n0.395664 0.801139 0.164382 Sr\n0.761740 0.767407 0.701022 Sr\n0.203351 0.453767 0.526497 Sr\n0.479363 0.570426 0.181799 Sr\n0.974744 0.136856 0.596345 Sr\n0.714530 0.866052 0.277913 Sr\n0.933187 0.177507 0.151632 Sr\n0.406349 0.763662 0.373799 Sr\n0.640682 0.141656 0.051978 Sr\n0.355214 0.957688 0.544242 Sr\n0.783642 0.674221 0.097716 Sr\n0.990666 0.047245 0.800047 Sr\n0.857915 0.422330 0.143265 Sr\n0.216358 0.325779 0.902284 Sr\n0.644076 0.098037 0.253374 Sr\n0.644786 0.042312 0.455758 Sr\n0.422472 0.665839 0.768050 Sr\n0.000000 0.000000 0.000000 Sr\n0.520637 0.429574 0.818201 Sr\n0.025256 0.863144 0.403655 Sr\n0.690213 0.955216 0.877186 Sr\n0.087362 0.689160 0.248832 Sr\n0.970171 0.099461 0.385014 W\n0.029829 0.900539 0.614986 W\n0.372234 0.119242 0.943232 W\n0.905410 0.258110 0.931816 W\n0.517984 0.244818 0.409294 W\n0.223752 0.485171 0.264642 W\n0.218296 0.379747 0.715532 W\n0.482016 0.755182 0.590706 W\n0.094590 0.741890 0.068184 W\n0.627766 0.880758 0.056768 W\n0.776248 0.514829 0.735358 W\n0.781704 0.620253 0.284468 W\n0.650515 0.581649 0.751503 N\n0.564105 0.652568 0.553445 N\n0.212773 0.009151 0.945020 N\n0.442637 0.171723 0.296238 N\n0.881882 0.101491 0.286306 N\n0.650278 0.542841 0.956864 N\n0.287165 0.622123 0.231451 N\n0.838942 0.986094 0.422337 N\n0.383875 0.226984 0.879448 N\n0.684577 0.518791 0.180488 N\n0.900994 0.564793 0.329544 N\n0.935494 0.608100 0.802979 N\n0.435895 0.347432 0.446555 N\n0.009717 0.389007 0.904956 N\n0.349485 0.418351 0.248497 N\n0.516556 0.954957 0.094769 N\n0.315423 0.481209 0.819512 N\n0.184393 0.850440 0.172341 N\n0.349722 0.457159 0.043136 N\n0.536198 0.868589 0.530959 N\n0.979940 0.790610 0.010416 N\n0.099006 0.435207 0.670456 N\n0.781806 0.301160 0.986766 N\n0.122200 0.244230 0.740064 N\n0.616125 0.773016 0.120552 N\n0.064506 0.391900 0.197021 N\n0.877800 0.755770 0.259936 N\n0.889158 0.945426 0.644233 N\n0.118118 0.898509 0.713694 N\n0.669302 0.645674 0.359201 N\n0.557363 0.828277 0.703762 N\n0.110842 0.054574 0.355767 N\n0.161058 0.013906 0.577663 N\n0.479799 0.085210 0.685678 N\n0.781703 0.485387 0.620538 N\n0.136284 0.113908 0.156442 N\n0.483444 0.045043 0.905231 N\n0.787227 0.990849 0.054980 N\n0.559068 0.799244 0.943919 N\n0.330698 0.354326 0.640799 N\n0.815607 0.149560 0.827659 N\n0.960942 0.756933 0.536525 N\n0.218297 0.514613 0.379462 N\n0.256443 0.739134 0.803850 N\n0.218194 0.698840 0.013234 N\n0.020060 0.209390 0.989584 N\n0.039058 0.243067 0.463475 N\n0.463802 0.131411 0.469041 N\n0.300013 0.689958 0.583667 N\n0.712835 0.377877 0.768549 N\n0.520201 0.914790 0.314322 N\n0.863716 0.886092 0.843558 N\n0.699987 0.310042 0.416333 N\n0.440932 0.200756 0.056081 N\n0.990283 0.610993 0.095044 N\n0.743557 0.260866 0.196150 N\n0.000000 0.000000 0.500000 O\n0.222677 0.821266 0.394118 O\n0.777323 0.178734 0.605882 O\n",
            "nsites": 122,
            "nelements": 4,
            "elements": [
                "Sr",
                "W",
                "N",
                "O"
            ],
            "chemical_system": "N-O-Sr-W",
            "density": 5.484302921904753,
            "density_atomic": 0.05367369645896352,
            "volume": 2272.9941861424745,
            "volume_molar": 11.219910602960347,
            "formula_full": "Sr51 W12 N56 O3",
            "formula_reduced": "Sr51W12N56O3",
            "formula_anonymous": "A3B12C51D56",
            "energy": -833.44057458,
            "energy_per_atom": -6.831480119508196,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -757.90757458,
            "band_gap": 0.0986000000000002,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0006105,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:22.349000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-989582",
            "created_at": "2022-09-04T14:47:44.610523Z",
            "structure_string": "Ca6 Pb2 Se1 N1\n1.0\n0.000000 5.203692 5.203692\n5.203692 0.000000 5.203692\n5.203692 5.203692 0.000000\nCa Pb Se N\n6 2 1 1\ndirect\n0.269230 0.730770 0.730770 Ca\n0.269230 0.730770 0.269230 Ca\n0.730770 0.269230 0.730770 Ca\n0.730770 0.730770 0.269230 Ca\n0.269230 0.269230 0.730770 Ca\n0.730770 0.269230 0.269230 Ca\n0.250000 0.250000 0.250000 Pb\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 Se\n0.500000 0.500000 0.500000 N\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ca",
                "Pb",
                "Se",
                "N"
            ],
            "chemical_system": "Ca-N-Pb-Se",
            "density": 4.4064613451546775,
            "density_atomic": 0.035484219284276065,
            "volume": 281.81541546360717,
            "volume_molar": 16.97132100259723,
            "formula_full": "Ca6 Pb2 Se1 N1",
            "formula_reduced": "Ca6Pb2SeN",
            "formula_anonymous": "ABC2D6",
            "energy": -40.8709539,
            "energy_per_atom": -4.08709539,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.5099539,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0278664,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:16.072000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-678358",
            "created_at": "2022-09-04T14:47:44.332058Z",
            "structure_string": "Hf20 Zr4 Te32\n1.0\n10.980428 0.000000 0.000000\n-5.487892 -9.548184 0.000000\n-0.003229 0.001190 -15.777753\nHf Zr Te\n20 4 32\ndirect\n0.489947 0.367068 0.937362 Hf\n0.490800 0.365833 0.437934 Hf\n0.490222 0.367047 0.187302 Hf\n0.633065 0.121535 0.687762 Hf\n0.632740 0.121272 0.937633 Hf\n0.632819 0.122206 0.188076 Hf\n0.876699 0.508571 0.937930 Hf\n0.876758 0.509685 0.687610 Hf\n0.878040 0.510052 0.437633 Hf\n0.877685 0.509704 0.186887 Hf\n0.122503 0.489985 0.812248 Hf\n0.123484 0.491136 0.312910 Hf\n0.122143 0.490170 0.062949 Hf\n0.365783 0.877065 0.562834 Hf\n0.367315 0.878752 0.312625 Hf\n0.366875 0.877882 0.061671 Hf\n0.510257 0.632897 0.563088 Hf\n0.510513 0.633781 0.812764 Hf\n0.509887 0.632986 0.311657 Hf\n0.508961 0.632429 0.062651 Hf\n0.491585 0.367842 0.687248 Zr\n0.632185 0.121847 0.436545 Zr\n0.122911 0.491331 0.561831 Zr\n0.367640 0.877316 0.812926 Zr\n0.342929 0.056395 0.938349 Te\n0.342655 0.054369 0.686559 Te\n0.338428 0.052489 0.437697 Te\n0.341967 0.054249 0.187313 Te\n0.711181 0.656764 0.937973 Te\n0.713317 0.660559 0.688081 Te\n0.710808 0.656515 0.437260 Te\n0.711272 0.656689 0.187038 Te\n0.667419 0.331937 0.813202 Te\n0.668544 0.332854 0.562373 Te\n0.667501 0.334102 0.311795 Te\n0.666565 0.332026 0.062633 Te\n0.051115 0.709681 0.812872 Te\n0.051126 0.713294 0.563011 Te\n0.053020 0.711634 0.312188 Te\n0.053160 0.711741 0.062097 Te\n0.947133 0.288290 0.937898 Te\n0.945287 0.287700 0.688069 Te\n0.946868 0.288773 0.435923 Te\n0.947090 0.288541 0.187911 Te\n0.332413 0.665927 0.938088 Te\n0.333673 0.666903 0.687709 Te\n0.332790 0.667889 0.187332 Te\n0.334925 0.668874 0.436912 Te\n0.288248 0.344257 0.813247 Te\n0.289498 0.343612 0.561049 Te\n0.289482 0.343213 0.312614 Te\n0.288383 0.342709 0.062661 Te\n0.661399 0.947043 0.813036 Te\n0.656460 0.943787 0.563300 Te\n0.656987 0.943437 0.310978 Te\n0.657541 0.945358 0.062758 Te\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Hf",
                "Zr",
                "Te"
            ],
            "chemical_system": "Hf-Te-Zr",
            "density": 8.048673589806482,
            "density_atomic": 0.03385344156531997,
            "volume": 1654.189276205446,
            "volume_molar": 17.788858330342347,
            "formula_full": "Hf20 Zr4 Te32",
            "formula_reduced": "Hf5ZrTe8",
            "formula_anonymous": "AB5C8",
            "energy": -392.05478526,
            "energy_per_atom": -7.000978308214286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -378.55078526,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0022216,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:18.654000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1093864",
            "created_at": "2022-09-04T14:47:44.590195Z",
            "structure_string": "Al1 Ru2 W1\n1.0\n-4.631567 5.294200 7.463609\n4.631567 -5.294200 7.463609\n4.631567 5.294200 -7.463609\nAl Ru W\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Al\n0.000000 0.270439 0.270439 Ru\n0.000000 0.729561 0.729561 Ru\n0.000000 0.500000 0.500000 W\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Al",
                "Ru",
                "W"
            ],
            "chemical_system": "Al-Ru-W",
            "density": 0.9367453309124073,
            "density_atomic": 0.005464152676398207,
            "volume": 732.0439667210527,
            "volume_molar": 110.21179525257338,
            "formula_full": "Al1 Ru2 W1",
            "formula_reduced": "AlRu2W",
            "formula_anonymous": "ABC2",
            "energy": -21.54967062,
            "energy_per_atom": -5.387417655,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.54967062,
            "band_gap": 0.2548999999999997,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0024332,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:21.149000Z",
            "spacegroup": 71
        }
    ]
}