GET /third-parties/JarvisStructure/?format=api&ordering=-nsites&page=103
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
    "count": 55712,
    "next": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=104",
    "previous": "https://simmate.org/third-parties/JarvisStructure/?format=api&ordering=-nsites&page=102",
    "results": [
        {
            "id": "jvasp-88859",
            "created_at": "2022-09-04T14:35:56.757765Z",
            "updated_at": "2022-09-04T14:35:56.757786Z",
            "structure_string": "Si5 P6 O25\n1.0\n7.159151 -0.002785 5.953484\n2.790560 6.592891 5.953484\n-0.004204 -0.002785 9.311142\nSi P O\n5 6 25\ndirect\n0.179672 0.179671 0.179672 Si\n0.000000 0.000000 0.000000 Si\n0.820329 0.820327 0.820328 Si\n0.433826 0.433824 0.433825 Si\n0.566176 0.566174 0.566175 Si\n0.927805 0.174163 0.621354 P\n0.825836 0.378644 0.072195 P\n0.072196 0.825835 0.378645 P\n0.621355 0.927804 0.174164 P\n0.378646 0.072195 0.825835 P\n0.174165 0.621354 0.927804 P\n0.250972 0.973750 0.897212 O\n0.432255 0.206146 0.590702 O\n0.026250 0.102787 0.749029 O\n0.102788 0.749029 0.026249 O\n0.749029 0.026249 0.102788 O\n0.973751 0.897211 0.250971 O\n0.897213 0.250970 0.973750 O\n0.096452 0.139730 0.428170 O\n0.733092 0.779314 0.076708 O\n0.139731 0.428170 0.096452 O\n0.428171 0.096451 0.139730 O\n0.903549 0.860268 0.571829 O\n0.860271 0.571828 0.903548 O\n0.571831 0.903547 0.860269 O\n0.793854 0.409297 0.567746 O\n0.076709 0.733091 0.779315 O\n0.409298 0.567745 0.793853 O\n0.206147 0.590702 0.432254 O\n0.590703 0.432253 0.206146 O\n0.500001 0.499999 0.500000 O\n0.266909 0.220684 0.923292 O\n0.923292 0.266907 0.220685 O\n0.220685 0.923291 0.266907 O\n0.567747 0.793853 0.409297 O\n0.779316 0.076707 0.733092 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Si",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Si",
            "density": 2.7421537181416236,
            "density_atomic": 0.08185703721307262,
            "volume": 439.79114350660586,
            "volume_molar": 7.35690047555039,
            "formula_full": "Si5 P6 O25",
            "formula_reduced": "Si5P6O25",
            "formula_anonymous": "A5B6C25",
            "energy_above_hull": 3.3018248194444446,
            "spacegroup": 148
        },
        {
            "id": "jvasp-97342",
            "created_at": "2022-09-04T14:35:56.688973Z",
            "updated_at": "2022-09-04T14:35:56.689012Z",
            "structure_string": "Sm4 Zr4 F28\n1.0\n5.684594 0.000000 0.000000\n0.000000 8.725988 -2.718025\n0.000000 0.041627 11.434367\nSm Zr F\n4 4 28\ndirect\n0.241542 0.420225 0.234186 Sm\n0.258457 0.920226 0.734186 Sm\n0.741542 0.079775 0.265814 Sm\n0.758457 0.579775 0.765814 Sm\n0.244182 0.771306 0.044016 Zr\n0.744182 0.728695 0.455983 Zr\n0.755817 0.228695 0.955984 Zr\n0.255818 0.271306 0.544017 Zr\n0.903059 0.306197 0.269075 F\n0.970825 0.368403 0.642170 F\n0.096941 0.693804 0.730925 F\n0.596940 0.806197 0.769075 F\n0.548806 0.581102 0.323918 F\n0.048806 0.918899 0.176082 F\n0.451194 0.418899 0.676082 F\n0.951193 0.081102 0.823918 F\n0.470825 0.131598 0.857830 F\n0.403059 0.193804 0.230925 F\n0.549553 0.370976 0.083665 F\n0.260286 0.420846 0.444034 F\n0.049553 0.129025 0.416335 F\n0.450447 0.629025 0.916335 F\n0.950446 0.870976 0.583665 F\n0.558662 0.183058 0.455853 F\n0.058662 0.316942 0.044147 F\n0.441338 0.816942 0.544147 F\n0.029174 0.631598 0.357830 F\n0.941337 0.683059 0.955853 F\n0.720461 0.885966 0.363852 F\n0.779538 0.385966 0.863853 F\n0.279538 0.114034 0.636148 F\n0.239713 0.920847 0.944034 F\n0.739713 0.579154 0.555966 F\n0.760286 0.079154 0.055966 F\n0.220462 0.614034 0.136147 F\n0.529174 0.868403 0.142170 F\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Sm",
                "Zr",
                "F"
            ],
            "chemical_system": "F-Sm-Zr",
            "density": 4.381541837517428,
            "density_atomic": 0.06339924871823743,
            "volume": 567.8300725611633,
            "volume_molar": 9.498757290900942,
            "formula_full": "Sm4 Zr4 F28",
            "formula_reduced": "SmZrF7",
            "formula_anonymous": "ABC7",
            "energy_above_hull": 0.1775628169444447,
            "spacegroup": 14
        },
        {
            "id": "jvasp-5356",
            "created_at": "2022-09-04T14:36:04.068120Z",
            "updated_at": "2022-09-04T14:36:04.068137Z",
            "structure_string": "S32 O4\n1.0\n8.010772 0.000000 0.000000\n0.000000 7.980139 0.000000\n0.000000 0.000000 13.210248\nS O\n32 4\ndirect\n0.010588 0.499954 0.854855 S\n0.186653 0.335498 0.763990 S\n0.813347 0.835498 0.236011 S\n0.813347 0.335498 0.263989 S\n0.186653 0.835498 0.736011 S\n0.437635 0.958279 0.703577 S\n0.562365 0.458279 0.296423 S\n0.562365 0.958279 0.203577 S\n0.437635 0.458279 0.796423 S\n0.549822 0.780151 0.620909 S\n0.450178 0.280150 0.379091 S\n0.450178 0.780151 0.120909 S\n0.549822 0.280150 0.879091 S\n0.535978 0.851832 0.467448 S\n0.464022 0.351832 0.532552 S\n0.535978 0.351832 0.032552 S\n0.464022 0.851832 0.967448 S\n0.029806 0.360751 0.478440 S\n0.676872 0.249603 0.594013 S\n0.676872 0.749603 0.905987 S\n0.323128 0.249603 0.094013 S\n0.139891 0.931679 0.407567 S\n0.860109 0.431679 0.592433 S\n0.860109 0.931679 0.907568 S\n0.139891 0.431679 0.092433 S\n0.970194 0.860751 0.521560 S\n0.323128 0.749603 0.405987 S\n0.029806 0.860751 0.021560 S\n0.970194 0.360751 0.978440 S\n0.010588 -0.000046 0.645145 S\n0.989412 0.499954 0.354855 S\n0.989412 -0.000046 0.145145 S\n0.808580 0.173454 0.319421 O\n0.808580 0.673454 0.180579 O\n0.191419 0.673454 0.680579 O\n0.191419 0.173454 0.819421 O\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "S",
                "O"
            ],
            "chemical_system": "O-S",
            "density": 2.143436958511249,
            "density_atomic": 0.04262915290038655,
            "volume": 844.4925022114048,
            "volume_molar": 14.126813108560253,
            "formula_full": "S32 O4",
            "formula_reduced": "S8O",
            "formula_anonymous": "AB8",
            "energy_above_hull": 2.2929459444444444,
            "spacegroup": 29
        },
        {
            "id": "jvasp-97631",
            "created_at": "2022-09-04T14:38:14.999899Z",
            "updated_at": "2022-09-04T14:38:14.999926Z",
            "structure_string": "Si12 O24\n1.0\n10.046065 0.000000 -0.000000\n-5.023032 8.700147 -0.000000\n0.000000 -0.000000 10.310752\nSi O\n12 24\ndirect\n0.568049 0.136098 0.604533 Si\n0.568049 0.431951 0.895467 Si\n0.568049 0.136098 0.895467 Si\n0.431951 0.863903 0.104533 Si\n0.431951 0.863903 0.395467 Si\n0.863902 0.431951 0.895467 Si\n0.136098 0.568049 0.104533 Si\n0.431951 0.568049 0.395467 Si\n0.863902 0.431951 0.604533 Si\n0.568049 0.431951 0.604533 Si\n0.431951 0.568049 0.104533 Si\n0.136098 0.568049 0.395467 Si\n0.061975 0.530987 0.250000 O\n0.500000 -0.000000 0.500000 O\n0.754325 0.508650 0.585934 O\n0.245676 0.754325 0.414066 O\n0.469013 0.530987 0.250000 O\n0.754324 0.245675 0.914066 O\n0.491350 0.245675 0.914066 O\n0.500000 -0.000000 0.000000 O\n0.938025 0.469013 0.750000 O\n0.000000 0.500000 0.000000 O\n0.508649 0.754325 0.414066 O\n0.500000 0.500000 0.500000 O\n0.491350 0.245675 0.585934 O\n0.245676 0.754325 0.085934 O\n0.245675 0.491351 0.414066 O\n0.530987 0.061975 0.750000 O\n0.500000 0.500000 0.000000 O\n0.754324 0.245675 0.585934 O\n0.508649 0.754325 0.085934 O\n0.754325 0.508650 0.914066 O\n0.530987 0.469013 0.750000 O\n0.245675 0.491351 0.085934 O\n0.469013 0.938026 0.250000 O\n0.000000 0.500000 0.500000 O\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Si",
                "O"
            ],
            "chemical_system": "O-Si",
            "density": 1.3285516217232178,
            "density_atomic": 0.03994749814365003,
            "volume": 901.1828443059203,
            "volume_molar": 15.075138719187267,
            "formula_full": "Si12 O24",
            "formula_reduced": "SiO2",
            "formula_anonymous": "AB2",
            "energy_above_hull": 1.4169285333333337,
            "spacegroup": 194
        },
        {
            "id": "jvasp-23050",
            "created_at": "2022-09-04T14:38:19.705402Z",
            "updated_at": "2022-09-04T14:38:19.705420Z",
            "structure_string": "Na20 Si4 As12\n1.0\n0.000000 8.224003 0.019453\n7.507637 0.000000 0.000000\n0.000000 -8.147120 -13.437185\nNa Si As\n20 4 12\ndirect\n0.560417 0.504548 0.242224 Na\n0.833024 0.349548 0.758209 Na\n0.166976 0.849548 0.741792 Na\n0.833024 0.150452 0.258209 Na\n0.158022 0.162990 0.580827 Na\n0.841979 0.662990 0.919173 Na\n0.841979 0.837011 0.419173 Na\n0.158021 0.337010 0.080827 Na\n0.085149 0.017381 0.912133 Na\n0.914851 0.517382 0.587868 Na\n0.166976 0.650452 0.241792 Na\n0.085149 0.482619 0.412133 Na\n0.248385 0.532575 0.915893 Na\n0.751616 0.032575 0.584108 Na\n0.751615 0.467425 0.084107 Na\n0.248385 0.967425 0.415893 Na\n0.560417 0.995453 0.742224 Na\n0.914851 0.982619 0.087868 Na\n0.439583 0.495453 0.757777 Na\n0.439583 0.004548 0.257777 Na\n0.515042 0.858741 0.085917 Si\n0.484958 0.358740 0.414083 Si\n0.484958 0.141260 0.914084 Si\n0.515042 0.641260 0.585917 Si\n0.522948 0.812855 0.933711 As\n0.761801 0.238321 0.419123 As\n0.238199 0.738321 0.080877 As\n0.238199 0.761680 0.580878 As\n0.761801 0.261680 0.919123 As\n0.188474 0.264014 0.273191 As\n0.811526 0.764014 0.226809 As\n0.811526 0.735987 0.726810 As\n0.188474 0.235986 0.773191 As\n0.477052 0.187145 0.066289 As\n0.522948 0.687146 0.433711 As\n0.477052 0.312855 0.566289 As\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Na",
                "Si",
                "As"
            ],
            "chemical_system": "As-Na-Si",
            "density": 2.9488201144069612,
            "density_atomic": 0.04345412159421312,
            "volume": 828.459963733203,
            "volume_molar": 13.858618098960678,
            "formula_full": "Na20 Si4 As12",
            "formula_reduced": "Na5SiAs3",
            "formula_anonymous": "AB3C5",
            "energy_above_hull": 0.8089943166666664,
            "spacegroup": 14
        },
        {
            "id": "jvasp-29683",
            "created_at": "2022-09-04T14:37:51.209007Z",
            "updated_at": "2022-09-04T14:37:51.209024Z",
            "structure_string": "Cd12 I24\n1.0\n4.287218 -0.000000 0.000000\n-2.143610 3.712840 0.000000\n0.000000 -0.000000 82.519090\nCd I\n12 24\ndirect\n0.333333 0.666667 0.687505 Cd\n0.333333 0.666667 0.520842 Cd\n0.333333 0.666667 0.437496 Cd\n0.333333 0.666667 0.937483 Cd\n0.333333 0.666667 0.854189 Cd\n0.333333 0.666667 0.104173 Cd\n0.333333 0.666667 0.187503 Cd\n0.333333 0.666667 0.604163 Cd\n0.333333 0.666667 0.270824 Cd\n0.666667 0.333333 0.770835 Cd\n0.666667 0.333333 0.020851 Cd\n0.333333 0.666667 0.354177 Cd\n0.000000 0.000000 0.916472 I\n0.666667 0.333333 0.541849 I\n0.000000 0.000000 0.749816 I\n0.666667 0.333333 0.291832 I\n0.000000 0.000000 0.333167 I\n0.666667 0.333333 0.958488 I\n0.000000 0.000000 0.083154 I\n0.000000 0.000000 0.499831 I\n0.333333 0.666667 0.041850 I\n0.000000 0.000000 0.833169 I\n0.666667 0.333333 0.875189 I\n0.666667 0.333333 0.125173 I\n0.666667 0.333333 0.625168 I\n0.000000 0.000000 0.666492 I\n0.000000 0.000000 0.583150 I\n0.000000 0.000000 0.249815 I\n0.666667 0.333333 0.375184 I\n0.000000 0.000000 0.416485 I\n0.666667 0.333333 0.458502 I\n0.333333 0.666667 0.791833 I\n0.666667 0.333333 0.708508 I\n0.000000 0.000000 0.166492 I\n0.666667 0.333333 0.208509 I\n0.000000 0.000000 0.999831 I\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Cd",
                "I"
            ],
            "chemical_system": "Cd-I",
            "density": 5.555665620355671,
            "density_atomic": 0.02740730097288252,
            "volume": 1313.5186144604065,
            "volume_molar": 21.9727610754465,
            "formula_full": "Cd12 I24",
            "formula_reduced": "CdI2",
            "formula_anonymous": "AB2",
            "energy_above_hull": 0.00016,
            "spacegroup": 156
        },
        {
            "id": "jvasp-88401",
            "created_at": "2022-09-04T14:36:00.747349Z",
            "updated_at": "2022-09-04T14:36:00.747367Z",
            "structure_string": "Co24 As12\n1.0\n11.921987 0.000000 0.000000\n-5.960993 10.324744 0.000000\n0.000000 0.000000 3.577850\nCo As\n24 12\ndirect\n0.311379 0.000000 0.000000 Co\n0.717645 0.174965 0.000000 Co\n0.825035 0.542679 0.000000 Co\n0.457321 0.282355 0.000000 Co\n0.282355 0.457321 0.000000 Co\n0.542679 0.825034 0.000000 Co\n0.174965 0.717645 0.000000 Co\n0.372579 0.372579 0.500000 Co\n0.627421 0.000000 0.500000 Co\n0.000000 0.128156 0.500000 Co\n0.871844 0.871843 0.500000 Co\n0.128156 0.000000 0.500000 Co\n0.000000 0.627420 0.500000 Co\n0.827847 0.369882 0.500000 Co\n0.630118 0.457965 0.500000 Co\n0.457965 0.630118 0.500000 Co\n0.369882 0.827846 0.500000 Co\n0.172154 0.542035 0.500000 Co\n0.000000 0.797409 0.000000 Co\n0.202591 0.202591 0.000000 Co\n0.797409 0.000000 0.000000 Co\n0.000000 0.311379 0.000000 Co\n0.688621 0.688620 0.000000 Co\n0.542035 0.172153 0.500000 Co\n0.159352 0.335982 0.500000 As\n0.664018 0.823369 0.500000 As\n0.176631 0.840648 0.500000 As\n0.840648 0.176630 0.500000 As\n0.823370 0.664017 0.500000 As\n0.000000 0.000000 0.000000 As\n0.000000 0.501616 0.000000 As\n0.498384 0.498384 0.000000 As\n0.501616 0.000000 0.000000 As\n0.333333 0.666667 0.000000 As\n0.335983 0.159352 0.500000 As\n0.666667 0.333333 0.000000 As\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Co",
                "As"
            ],
            "chemical_system": "As-Co",
            "density": 8.722887147241133,
            "density_atomic": 0.08174335069176408,
            "volume": 440.40279356479965,
            "volume_molar": 7.367132260956795,
            "formula_full": "Co24 As12",
            "formula_reduced": "Co2As",
            "formula_anonymous": "AB2",
            "energy_above_hull": 2.598451183333333,
            "spacegroup": 189
        },
        {
            "id": "jvasp-26950",
            "created_at": "2022-09-04T14:37:58.620100Z",
            "updated_at": "2022-09-04T14:37:58.620121Z",
            "structure_string": "Ho8 Ti12 Si16\n1.0\n7.054518 0.000000 0.000000\n0.000000 7.054518 -0.000000\n-0.000000 -0.000000 12.948117\nHo Ti Si\n8 12 16\ndirect\n0.340364 0.001655 0.466950 Ho\n0.498345 0.840364 0.716950 Ho\n0.501655 0.159636 0.216950 Ho\n0.840364 0.498345 0.283050 Ho\n0.159636 0.501655 0.783050 Ho\n0.659637 0.998346 0.966950 Ho\n0.001655 0.340364 0.533050 Ho\n0.998346 0.659637 0.033050 Ho\n0.992671 0.847061 0.624102 Ti\n0.007329 0.152940 0.124102 Ti\n0.347061 0.507329 0.374102 Ti\n0.652940 0.492671 0.874102 Ti\n0.507329 0.347061 0.625898 Ti\n0.847061 0.992671 0.375898 Ti\n0.152940 0.007329 0.875898 Ti\n0.672230 0.672230 0.500000 Ti\n0.827770 0.172230 0.750000 Ti\n0.172230 0.827770 0.250000 Ti\n0.327770 0.327770 0.000000 Ti\n0.492671 0.652940 0.125898 Ti\n0.708878 0.045173 0.564927 Si\n0.208878 0.454827 0.185073 Si\n0.791123 0.545174 0.685073 Si\n0.454827 0.208878 0.814927 Si\n0.545174 0.791123 0.314927 Si\n0.291122 0.954827 0.064927 Si\n0.869599 0.797491 0.816927 Si\n0.297491 0.630401 0.566927 Si\n0.797491 0.869599 0.183073 Si\n0.702509 0.369599 0.066927 Si\n0.630401 0.297491 0.433074 Si\n0.369599 0.702509 0.933074 Si\n0.202509 0.130401 0.683074 Si\n0.954827 0.291122 0.935073 Si\n0.130401 0.202509 0.316927 Si\n0.045173 0.708878 0.435073 Si\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ho",
                "Ti",
                "Si"
            ],
            "chemical_system": "Ho-Si-Ti",
            "density": 6.038371765508387,
            "density_atomic": 0.055867751643026715,
            "volume": 644.3788937494039,
            "volume_molar": 10.77927889147776,
            "formula_full": "Ho8 Ti12 Si16",
            "formula_reduced": "Ho2Ti3Si4",
            "formula_anonymous": "A2B3C4",
            "energy_above_hull": 3.439020059259259,
            "spacegroup": 92
        },
        {
            "id": "jvasp-98301",
            "created_at": "2022-09-04T14:35:56.443478Z",
            "updated_at": "2022-09-04T14:35:56.443508Z",
            "structure_string": "H16 N8 O12\n1.0\n6.335328 0.000000 0.000000\n0.000000 7.466894 0.000000\n0.000000 0.000000 6.236504\nH N O\n16 8 12\ndirect\n0.704442 0.526786 0.958006 H\n0.972795 0.707087 -0.035997 H\n0.667614 0.220602 0.439759 H\n0.789854 0.512046 0.707400 H\n0.027205 0.292913 0.464003 H\n0.210146 0.487953 0.207400 H\n0.332387 0.779398 0.939758 H\n0.167614 0.279398 0.939758 H\n0.289854 -0.012047 0.207400 H\n0.710146 0.012047 0.707400 H\n0.832387 0.720601 0.439759 H\n0.527206 0.207087 -0.035997 H\n0.204442 -0.026786 0.458007 H\n0.295558 0.473214 0.458007 H\n0.795558 0.026786 0.958006 H\n0.472795 0.792912 0.464003 H\n0.039587 0.829552 0.254477 N\n-0.039587 0.170448 0.754477 N\n0.539588 0.670447 0.754477 N\n0.460413 0.329552 0.254477 N\n0.254232 0.398001 0.324929 N\n0.754233 0.101999 0.824929 N\n0.245768 0.898001 0.324929 N\n0.745768 0.601999 0.824929 N\n0.513944 0.193727 0.408448 O\n0.604687 0.440580 0.217853 O\n0.895314 0.940580 0.217853 O\n0.395314 0.559419 0.717853 O\n0.104686 0.059420 0.717853 O\n0.392501 0.218287 0.049703 O\n-0.013943 0.693727 0.408448 O\n0.607499 0.781713 0.549703 O\n0.013943 0.306272 0.908448 O\n0.486057 0.806272 0.908448 O\n0.892501 0.281713 0.549703 O\n0.107499 0.718286 0.049703 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "H",
                "N",
                "O"
            ],
            "chemical_system": "H-N-O",
            "density": 1.8021216480050448,
            "density_atomic": 0.12202595207412571,
            "volume": 295.0192101605689,
            "volume_molar": 4.93513114025269,
            "formula_full": "H16 N8 O12",
            "formula_reduced": "H4N2O3",
            "formula_anonymous": "A2B3C4",
            "energy_above_hull": 3.630373,
            "spacegroup": 33
        },
        {
            "id": "jvasp-96916",
            "created_at": "2022-09-04T14:36:49.325642Z",
            "updated_at": "2022-09-04T14:36:49.325656Z",
            "structure_string": "Ca3 Hg33\n1.0\n9.935092 -0.000000 0.000000\n0.000000 9.935092 0.000000\n0.000000 0.000000 9.935092\nCa Hg\n3 33\ndirect\n0.500000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.000000 0.500000 0.000000 Ca\n0.657380 0.000000 0.657380 Hg\n0.342619 0.657380 0.000000 Hg\n0.000000 0.657380 0.657380 Hg\n0.500000 0.263515 0.263515 Hg\n0.500000 0.736485 0.263515 Hg\n0.500000 0.263515 0.736485 Hg\n0.736485 0.263515 0.500000 Hg\n0.342619 0.000000 0.657380 Hg\n0.736485 0.500000 0.263515 Hg\n0.263515 0.500000 0.263515 Hg\n0.736485 0.736485 0.500000 Hg\n0.263515 0.500000 0.736485 Hg\n0.736485 0.500000 0.736485 Hg\n0.263515 0.263515 0.500000 Hg\n0.657380 0.657380 0.000000 Hg\n0.657380 0.000000 0.342619 Hg\n0.263515 0.736485 0.500000 Hg\n0.500000 0.500000 0.500000 Hg\n0.152416 0.152416 0.152416 Hg\n0.152416 0.847584 0.152416 Hg\n0.152416 0.152416 0.847584 Hg\n0.847584 0.152416 0.152416 Hg\n0.847584 0.847584 0.152416 Hg\n0.342619 0.000000 0.342619 Hg\n0.152416 0.847584 0.847584 Hg\n0.847584 0.847584 0.847584 Hg\n0.000000 0.342619 0.342619 Hg\n0.000000 0.657380 0.342619 Hg\n0.000000 0.342619 0.657380 Hg\n0.342619 0.342619 0.000000 Hg\n0.657380 0.342619 0.000000 Hg\n0.847584 0.152416 0.847584 Hg\n0.500000 0.736485 0.736485 Hg\n",
            "nsites": 36,
            "nelements": 2,
            "elements": [
                "Ca",
                "Hg"
            ],
            "chemical_system": "Ca-Hg",
            "density": 11.412327903289455,
            "density_atomic": 0.03671020599775403,
            "volume": 980.65371799337,
            "volume_molar": 16.404540907148387,
            "formula_full": "Ca3 Hg33",
            "formula_reduced": "CaHg11",
            "formula_anonymous": "AB11",
            "energy_above_hull": 0.0,
            "spacegroup": 221
        },
        {
            "id": "jvasp-33308",
            "created_at": "2022-09-04T14:38:34.452366Z",
            "updated_at": "2022-09-04T14:38:34.452394Z",
            "structure_string": "B4 H20 C4 N8\n1.0\n7.722402 0.000000 0.000000\n0.000000 6.382985 0.000000\n0.000000 0.000000 6.701021\nB H C N\n4 20 4 8\ndirect\n0.727833 0.127310 0.652195 B\n0.272166 0.872691 0.152195 B\n0.772166 0.627310 0.152195 B\n0.227833 0.372691 0.652195 B\n0.308914 0.369050 0.496605 H\n0.691085 0.630951 -0.003394 H\n0.191085 0.869050 -0.003394 H\n0.808914 0.130950 0.496605 H\n0.175445 0.198819 0.695809 H\n0.824554 0.801182 0.195809 H\n0.675445 0.301182 0.695809 H\n0.280733 0.461296 0.961036 H\n0.719267 0.538704 0.461037 H\n0.324554 0.698819 0.195809 H\n0.780733 0.038704 0.961036 H\n0.453943 0.361071 0.849629 H\n0.546057 0.638930 0.349629 H\n0.046057 0.861071 0.349629 H\n0.953943 0.138929 0.849629 H\n0.392235 0.605619 0.794360 H\n0.607765 0.394382 0.294360 H\n0.107765 0.105618 0.294360 H\n0.892234 0.894383 0.794360 H\n0.219267 0.961297 0.461037 H\n0.069982 0.527907 0.632102 C\n0.930018 0.472093 0.132102 C\n0.569981 0.972094 0.632102 C\n0.430018 0.027907 0.132102 C\n0.046796 0.356898 0.118593 N\n0.847831 0.043633 0.827669 N\n0.152169 0.956368 0.327669 N\n0.652169 0.543633 0.327669 N\n0.347831 0.456368 0.827669 N\n0.453204 0.856898 0.618593 N\n0.546796 0.143102 0.118593 N\n0.953204 0.643103 0.618593 N\n",
            "nsites": 36,
            "nelements": 4,
            "elements": [
                "B",
                "H",
                "C",
                "N"
            ],
            "chemical_system": "B-C-H-N",
            "density": 1.123589991334829,
            "density_atomic": 0.10898965862992736,
            "volume": 330.30656717842766,
            "volume_molar": 5.525424004169131,
            "formula_full": "B4 H20 C4 N8",
            "formula_reduced": "BH5CN2",
            "formula_anonymous": "ABC2D5",
            "energy_above_hull": 4.404054342592593,
            "spacegroup": 33
        },
        {
            "id": "jvasp-20845",
            "created_at": "2022-09-04T14:38:34.982441Z",
            "updated_at": "2022-09-04T14:38:34.982466Z",
            "structure_string": "Ca4 N8 O24\n1.0\n7.540656 -0.000000 0.000000\n0.000000 7.540656 -0.000000\n0.000000 0.000000 7.540656\nCa N O\n4 8 24\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.840046 0.159955 0.659955 N\n0.159955 0.659955 0.840046 N\n0.659955 0.659955 0.659955 N\n0.659955 0.840046 0.159955 N\n0.159955 0.840046 0.340045 N\n0.340045 0.159955 0.840046 N\n0.340045 0.340045 0.340045 N\n0.840046 0.340045 0.159955 N\n0.782290 0.023886 0.739310 O\n0.282290 0.023886 0.760691 O\n0.023886 0.760691 0.282290 O\n0.782290 0.476114 0.239310 O\n0.717710 0.523886 0.739310 O\n0.523886 0.739310 0.717710 O\n0.739310 0.717710 0.523886 O\n0.239310 0.717710 0.976114 O\n0.739310 0.782290 0.023886 O\n0.760691 0.217710 0.523886 O\n0.523886 0.760691 0.217710 O\n0.476114 0.260690 0.282290 O\n0.717710 0.976114 0.239310 O\n0.976114 0.239310 0.717710 O\n0.217710 0.523886 0.760691 O\n0.282290 0.476114 0.260690 O\n0.976114 0.260690 0.217710 O\n0.260690 0.282290 0.476114 O\n0.260690 0.217710 0.976114 O\n0.239310 0.782290 0.476114 O\n0.217710 0.976114 0.260690 O\n0.760691 0.282290 0.023886 O\n0.023886 0.739310 0.782290 O\n0.476114 0.239310 0.782290 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ca",
                "N",
                "O"
            ],
            "chemical_system": "Ca-N-O",
            "density": 2.541897266326327,
            "density_atomic": 0.0839605188594747,
            "volume": 428.77295768328264,
            "volume_molar": 7.172586403472921,
            "formula_full": "Ca4 N8 O24",
            "formula_reduced": "Ca(NO3)2",
            "formula_anonymous": "AB2C6",
            "energy_above_hull": 3.0755331022222223,
            "spacegroup": 205
        }
    ]
}