{"count":146323,"next":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=12","previous":"https://simmate.org/third-parties/MatprojStructure/?format=json&ordering=elements&page=10","results":[{"id":"mp-568028","created_at":"2022-09-04T14:39:28.003923Z","structure_string":"C120\n1.0\n8.321375 0.000000 0.000000\n0.000000 9.596626 0.000000\n0.000000 0.000000 14.076421\nC\n120\ndirect\n0.153424 0.283551 0.145391 C\n0.817959 0.352280 0.448889 C\n0.230277 0.834788 0.210146 C\n0.187646 0.325136 0.955507 C\n0.685485 0.120266 0.120765 C\n0.153424 0.716449 0.145391 C\n0.812354 0.674864 0.044493 C\n0.317959 0.147720 0.051111 C\n0.693248 0.927764 0.862189 C\n0.846576 0.716449 0.854609 C\n0.817959 0.647720 0.448889 C\n0.687646 0.174864 0.544493 C\n0.182041 0.647720 0.551111 C\n0.846576 0.283551 0.854609 C\n0.063105 0.875391 0.748878 C\n0.784328 0.500000 0.680442 C\n0.142934 0.573855 0.469986 C\n0.225898 0.239528 0.874737 C\n0.729304 0.224140 0.451060 C\n0.077616 0.429604 0.911895 C\n0.314515 0.120266 0.879235 C\n0.372577 0.236807 0.285093 C\n0.715672 0.000000 0.180442 C\n0.269723 0.334788 0.710146 C\n0.314515 0.879734 0.879235 C\n0.577616 0.070396 0.588105 C\n0.274102 0.260472 0.374737 C\n0.185485 0.379734 0.379235 C\n0.687646 0.825136 0.544493 C\n0.182041 0.352280 0.551111 C\n0.806752 0.427764 0.362189 C\n0.161288 0.000000 0.755167 C\n0.857066 0.573855 0.530014 C\n0.812354 0.325136 0.044493 C\n0.725898 0.260472 0.625263 C\n0.642934 0.073855 0.030014 C\n0.682041 0.852280 0.948889 C\n0.229304 0.724140 0.048940 C\n0.730277 0.334788 0.289854 C\n0.653424 0.216449 0.354609 C\n0.922384 0.570396 0.088105 C\n0.653424 0.783551 0.354609 C\n0.838712 0.000000 0.244833 C\n0.270696 0.224140 0.548940 C\n0.769723 0.165212 0.789854 C\n0.422384 0.070396 0.411895 C\n0.063105 0.124609 0.748878 C\n0.422384 0.929604 0.411895 C\n0.193248 0.572236 0.637811 C\n0.770696 0.275860 0.951060 C\n0.312354 0.825136 0.455507 C\n0.993047 0.655823 0.837005 C\n0.627423 0.763193 0.714907 C\n0.436895 0.624609 0.248878 C\n0.769723 0.834788 0.789854 C\n0.814515 0.379734 0.620765 C\n0.493047 0.155823 0.662995 C\n0.627423 0.236807 0.714907 C\n0.770696 0.724140 0.951060 C\n0.774102 0.239528 0.125263 C\n0.094979 0.078540 0.252351 C\n0.127423 0.263193 0.785093 C\n0.142934 0.426145 0.469986 C\n0.077616 0.570396 0.911895 C\n0.230277 0.165212 0.210146 C\n0.936895 0.875391 0.251122 C\n0.436895 0.375391 0.248878 C\n0.274102 0.739528 0.374737 C\n0.682041 0.147720 0.948889 C\n0.905021 0.921460 0.747649 C\n0.577616 0.929604 0.588105 C\n0.506953 0.844177 0.337005 C\n0.284328 0.000000 0.819558 C\n0.357066 0.926145 0.969986 C\n0.922384 0.429604 0.088105 C\n0.405021 0.421460 0.752351 C\n0.185485 0.620266 0.379235 C\n0.993047 0.344177 0.837005 C\n0.814515 0.620266 0.620765 C\n0.661288 0.500000 0.744833 C\n0.306752 0.927764 0.137811 C\n0.215672 0.500000 0.319558 C\n0.127423 0.736807 0.785093 C\n0.270696 0.775860 0.548940 C\n0.774102 0.760472 0.125263 C\n0.269723 0.665212 0.710146 C\n0.506953 0.155823 0.337005 C\n0.685485 0.879734 0.120765 C\n0.594979 0.578540 0.247649 C\n0.729304 0.775860 0.451060 C\n0.338712 0.500000 0.255167 C\n0.594979 0.421460 0.247649 C\n0.306752 0.072236 0.137811 C\n0.006953 0.655823 0.162995 C\n0.312354 0.174864 0.455507 C\n0.346576 0.783551 0.645391 C\n0.936895 0.124609 0.251122 C\n0.642934 0.926145 0.030014 C\n0.006953 0.344177 0.162995 C\n0.872577 0.736807 0.214907 C\n0.346576 0.216449 0.645391 C\n0.806752 0.572236 0.362189 C\n0.725898 0.739528 0.625263 C\n0.905021 0.078540 0.747649 C\n0.094979 0.921460 0.252351 C\n0.357066 0.073855 0.969986 C\n0.493047 0.844177 0.662995 C\n0.563105 0.375391 0.751122 C\n0.563105 0.624609 0.751122 C\n0.317959 0.852280 0.051111 C\n0.187646 0.674864 0.955507 C\n0.193248 0.427764 0.637811 C\n0.872577 0.263193 0.214907 C\n0.730277 0.665212 0.289854 C\n0.405021 0.578540 0.752351 C\n0.225898 0.760472 0.874737 C\n0.693248 0.072236 0.862189 C\n0.372577 0.763193 0.285093 C\n0.229304 0.275860 0.048940 C\n0.857066 0.426145 0.530014 C\n","nsites":120,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.1290837832306,"density_atomic":0.10675183159082223,"volume":1124.1024927793067,"volume_molar":5.64125286681989,"formula_full":"C120","formula_reduced":"C","formula_anonymous":"A","energy":-1043.73651406,"energy_per_atom":-8.697804283833333,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1043.73651406,"band_gap":0.3041999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002161,"is_theoretical":false,"updated_at":"2021-11-28T01:34:31.749000Z","spacegroup":58},{"id":"mp-66","created_at":"2022-09-04T14:40:21.558049Z","structure_string":"C2\n1.0\n0.000000 1.786855 1.786855\n1.786855 0.000000 1.786855\n1.786855 1.786855 0.000000\nC\n2\ndirect\n0.250000 0.250000 0.250000 C\n0.000000 0.000000 0.000000 C\n","nsites":2,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.4958233725910053,"density_atomic":0.175279879017178,"volume":11.410322800393955,"volume_molar":3.4357285010504888,"formula_full":"C2","formula_reduced":"C","formula_anonymous":"A","energy":-18.18073633,"energy_per_atom":-9.090368165,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.18073633,"band_gap":4.1145,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0005442,"is_theoretical":false,"updated_at":"2021-11-28T01:34:52.938000Z","spacegroup":227},{"id":"mp-570002","created_at":"2022-09-04T14:48:03.128865Z","structure_string":"C8\n1.0\n-2.438465 2.438465 2.438465\n2.438465 -2.438465 2.438465\n2.438465 2.438465 -2.438465\nC\n8\ndirect\n0.325233 0.000000 0.000000 C\n0.674767 0.674767 0.674767 C\n0.000000 0.325233 0.000000 C\n0.000000 0.000000 0.325233 C\n0.000000 0.674767 0.000000 C\n0.325233 0.325233 0.325233 C\n0.674767 0.000000 0.000000 C\n0.000000 0.000000 0.674767 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.751045879921811,"density_atomic":0.13793688570884688,"volume":57.99753966380077,"volume_molar":4.365866844863641,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy":-67.70499972,"energy_per_atom":-8.463124965,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-67.70499972,"band_gap":3.0059000000000005,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0001004,"is_theoretical":false,"updated_at":"2021-11-28T01:38:24.443000Z","spacegroup":229},{"id":"mp-723638","created_at":"2022-09-04T14:48:28.970487Z","structure_string":"C48\n1.0\n4.718441 0.000000 0.000000\n0.000000 10.108005 0.000000\n0.000000 4.348503 15.089665\nC\n48\ndirect\n0.920326 0.336823 0.624265 C\n0.420326 0.163177 0.875735 C\n0.079674 0.663177 0.375735 C\n0.579674 0.836823 0.124265 C\n0.970540 0.210178 0.609125 C\n0.470540 0.289822 0.890875 C\n0.029460 0.789822 0.390875 C\n0.529460 0.710178 0.109125 C\n0.862065 0.162886 0.551675 C\n0.362065 0.337114 0.948325 C\n0.137935 0.837114 0.448325 C\n0.637935 0.662886 0.051675 C\n0.665514 0.225251 0.487583 C\n0.165514 0.274749 0.012417 C\n0.334486 0.774749 0.512417 C\n0.834486 0.725251 0.987583 C\n0.527665 0.190273 0.418906 C\n0.027665 0.309727 0.081094 C\n0.472335 0.809727 0.581094 C\n0.972335 0.690273 0.918906 C\n0.351968 0.259475 0.366204 C\n0.851968 0.240525 0.133796 C\n0.648032 0.740525 0.633796 C\n0.148032 0.759475 0.866204 C\n0.247491 0.389064 0.362597 C\n0.747491 0.110936 0.137403 C\n0.752509 0.610936 0.637404 C\n0.252509 0.889064 0.862596 C\n0.052799 0.478833 0.310929 C\n0.552799 0.021167 0.189071 C\n0.947201 0.521167 0.689071 C\n0.447201 0.978833 0.810929 C\n0.980272 0.594323 0.316660 C\n0.480272 0.905677 0.183340 C\n0.019728 0.405677 0.683340 C\n0.519728 0.094323 0.816660 C\n0.705824 0.419674 0.561272 C\n0.205824 0.080326 0.938728 C\n0.294176 0.580326 0.438728 C\n0.794176 0.919674 0.061272 C\n0.581669 0.365049 0.493798 C\n0.081669 0.134951 0.006202 C\n0.418331 0.634951 0.506202 C\n0.918331 0.865049 0.993798 C\n0.376228 0.445499 0.432417 C\n0.876228 0.054501 0.067583 C\n0.623772 0.554501 0.567583 C\n0.123772 0.945499 0.932417 C\n","nsites":48,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.3301942891337446,"density_atomic":0.0666956734418464,"volume":719.6868630744448,"volume_molar":9.029282484494068,"formula_full":"C48","formula_reduced":"C","formula_anonymous":"A","energy":-392.99043979,"energy_per_atom":-8.187300828958334,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-392.99043979,"band_gap":1.802,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002899,"is_theoretical":false,"updated_at":"2021-11-28T01:39:20.505000Z","spacegroup":14},{"id":"mp-169","created_at":"2022-09-04T14:42:24.446100Z","structure_string":"C2\n1.0\n4.083008 -1.234177 0.000000\n4.083008 1.234177 0.000000\n3.709952 0.000000 2.104853\nC\n2\ndirect\n0.166668 0.166668 0.166668 C\n0.833332 0.833332 0.833332 C\n","nsites":2,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.8803468488618567,"density_atomic":0.09428021185594328,"volume":21.213359204749423,"volume_molar":6.387491756172134,"formula_full":"C2","formula_reduced":"C","formula_anonymous":"A","energy":-18.45088693,"energy_per_atom":-9.225443465,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.45088693,"band_gap":0.5311999999999997,"is_gap_direct":true,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:35:45.163000Z","spacegroup":166},{"id":"mp-624889","created_at":"2022-09-04T14:46:25.902951Z","structure_string":"C8\n1.0\n2.459909 -2.558498 0.000000\n2.459909 2.558498 0.000000\n0.000000 0.000000 5.431344\nC\n8\ndirect\n0.250000 0.250000 0.130661 C\n0.891782 0.391782 0.763364 C\n0.750000 0.750000 0.130661 C\n0.250000 0.250000 0.869339 C\n0.750000 0.750000 0.869339 C\n0.608218 0.108218 0.763364 C\n0.108218 0.608218 0.236636 C\n0.391782 0.891782 0.236636 C\n","nsites":8,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.333812570762009,"density_atomic":0.1170168917169127,"volume":68.36619809859249,"volume_molar":5.146385852197105,"formula_full":"C8","formula_reduced":"C","formula_anonymous":"A","energy":-63.78070005,"energy_per_atom":-7.97258750625,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-63.78070005,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002641,"is_theoretical":true,"updated_at":"2021-11-28T01:37:42.316000Z","spacegroup":67},{"id":"mp-632329","created_at":"2022-09-04T14:44:22.471252Z","structure_string":"C2\n1.0\n1.237044 2.131760 0.000000\n-1.237044 2.131760 0.000000\n0.000000 0.260309 3.729055\nC\n2\ndirect\n0.833817 0.833817 0.999905 C\n0.166183 0.166183 0.000095 C\n","nsites":2,"nelements":1,"elements":["C"],"chemical_system":"C","density":2.028127117662893,"density_atomic":0.10168988473577566,"volume":19.66763956116844,"volume_molar":5.922064692715049,"formula_full":"C2","formula_reduced":"C","formula_anonymous":"A","energy":-18.42910687,"energy_per_atom":-9.214553435,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-18.42910687,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":7.9e-06,"is_theoretical":true,"updated_at":"2021-11-28T01:36:32.326000Z","spacegroup":12},{"id":"mp-998866","created_at":"2022-09-04T14:41:03.656770Z","structure_string":"C1\n1.0\n1.776060 0.000000 0.000000\n0.000000 1.776060 0.000000\n0.000000 0.000000 1.776060\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n","nsites":1,"nelements":1,"elements":["C"],"chemical_system":"C","density":3.5599550713415904,"density_atomic":0.1784954294612604,"volume":5.602384346861016,"volume_molar":3.3738347128417705,"formula_full":"C1","formula_reduced":"C","formula_anonymous":"A","energy":-6.47199271,"energy_per_atom":-6.47199271,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-6.47199271,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0010241,"is_theoretical":true,"updated_at":"2021-11-28T01:35:11.269000Z","spacegroup":221},{"id":"mp-680372","created_at":"2022-09-04T14:41:17.125517Z","structure_string":"C60\n1.0\n8.650536 -4.602332 0.000000\n8.650536 4.602332 0.000000\n6.201965 0.000000 7.586097\nC\n60\ndirect\n0.027412 0.874754 0.716891 C\n0.249245 0.249245 0.572032 C\n0.716891 0.027412 0.874754 C\n0.916965 0.471829 0.645118 C\n0.027412 0.716891 0.874754 C\n0.083035 0.528171 0.354882 C\n0.572032 0.249245 0.249245 C\n0.645118 0.916965 0.471829 C\n0.631259 0.888942 0.196324 C\n0.249245 0.572032 0.249245 C\n0.888942 0.196324 0.631259 C\n0.945185 0.791196 0.455044 C\n0.736983 0.736983 0.305958 C\n0.736983 0.305958 0.736983 C\n0.471829 0.645118 0.916965 C\n0.528171 0.083035 0.354882 C\n0.283109 0.972588 0.125246 C\n0.054815 0.544956 0.208804 C\n0.054815 0.208804 0.544956 C\n0.125246 0.972588 0.283109 C\n0.083035 0.354882 0.528171 C\n0.455044 0.945185 0.791196 C\n0.945185 0.455044 0.791196 C\n0.305958 0.736983 0.736983 C\n0.916965 0.645118 0.471829 C\n0.972588 0.125246 0.283109 C\n0.196324 0.631259 0.888942 C\n0.125246 0.283109 0.972588 C\n0.631259 0.196324 0.888942 C\n0.263017 0.694042 0.263017 C\n0.427968 0.750755 0.750755 C\n0.874754 0.027412 0.716891 C\n0.471829 0.916965 0.645118 C\n0.354882 0.528171 0.083035 C\n0.208804 0.054815 0.544956 C\n0.750755 0.427968 0.750755 C\n0.750755 0.750755 0.427968 C\n0.791196 0.455044 0.945185 C\n0.716891 0.874754 0.027412 C\n0.694042 0.263017 0.263017 C\n0.544956 0.054815 0.208804 C\n0.791196 0.945185 0.455044 C\n0.528171 0.354882 0.083035 C\n0.263017 0.263017 0.694042 C\n0.645118 0.471829 0.916965 C\n0.111058 0.803676 0.368741 C\n0.354882 0.083035 0.528171 C\n0.196324 0.888942 0.631259 C\n0.972588 0.283109 0.125246 C\n0.544956 0.208804 0.054815 C\n0.803676 0.111058 0.368741 C\n0.888942 0.631259 0.196324 C\n0.111058 0.368741 0.803676 C\n0.283109 0.125246 0.972588 C\n0.368741 0.803676 0.111058 C\n0.455044 0.791196 0.945185 C\n0.874754 0.716891 0.027412 C\n0.208804 0.544956 0.054815 C\n0.368741 0.111058 0.803676 C\n0.803676 0.368741 0.111058 C\n","nsites":60,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.9810677035606912,"density_atomic":0.09933033520157261,"volume":604.0450772489698,"volume_molar":6.06274080096395,"formula_full":"C60","formula_reduced":"C","formula_anonymous":"A","energy":-529.17093066,"energy_per_atom":-8.819515510999999,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-529.17093066,"band_gap":0.7132000000000001,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002577,"is_theoretical":false,"updated_at":"2021-11-28T01:35:18.689000Z","spacegroup":166},{"id":"mp-606949","created_at":"2022-09-04T14:43:19.844045Z","structure_string":"C12\n1.0\n1.233622 -2.136696 0.000000\n1.233622 2.136696 0.000000\n0.000000 0.000000 31.982971\nC\n12\ndirect\n0.666667 0.333333 0.633100 C\n0.666667 0.333333 0.133097 C\n0.666667 0.333333 0.366903 C\n0.666667 0.333333 0.866900 C\n0.000000 0.000000 0.250000 C\n0.333333 0.666667 0.866903 C\n0.000000 0.000000 0.750000 C\n0.666667 0.333333 0.250000 C\n0.333333 0.666667 0.366900 C\n0.333333 0.666667 0.750000 C\n0.333333 0.666667 0.133100 C\n0.333333 0.666667 0.633097 C\n","nsites":12,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.4194660839334783,"density_atomic":0.07117174323267973,"volume":168.6062397090478,"volume_molar":8.461420904518228,"formula_full":"C12","formula_reduced":"C","formula_anonymous":"A","energy":-110.62110479,"energy_per_atom":-9.218425399166668,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-110.62110479,"band_gap":0.0,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0,"is_theoretical":false,"updated_at":"2021-11-28T01:36:14.163000Z","spacegroup":194},{"id":"mp-1182684","created_at":"2022-09-04T14:43:49.543617Z","structure_string":"C80\n1.0\n9.335196 0.000000 0.000000\n0.000000 10.900048 0.000000\n0.000000 0.000000 14.524954\nC\n80\ndirect\n0.165118 0.266980 0.886876 C\n0.834882 0.766980 0.613124 C\n0.334882 0.733020 0.386876 C\n0.665118 0.233020 0.113124 C\n0.156643 0.165751 0.826578 C\n0.843357 0.665751 0.673422 C\n0.343357 0.834249 0.326578 C\n0.656643 0.334249 0.173422 C\n0.120897 0.082725 0.665411 C\n0.879103 0.582725 0.834589 C\n0.379103 0.917275 0.165411 C\n0.620897 0.417275 0.334589 C\n0.097701 0.048880 0.585511 C\n0.902299 0.548880 0.914489 C\n0.402299 0.951120 0.085511 C\n0.597701 0.451120 0.414489 C\n0.052593 0.257901 0.311960 C\n0.947407 0.757901 0.188040 C\n0.447407 0.742099 0.811960 C\n0.552593 0.242099 0.688040 C\n0.041982 0.370973 0.336179 C\n0.958018 0.870973 0.163821 C\n0.458018 0.629027 0.836179 C\n0.541982 0.129027 0.663821 C\n0.047015 0.395785 0.425328 C\n0.952985 0.895785 0.074672 C\n0.452985 0.604215 0.925328 C\n0.547015 0.104215 0.574672 C\n0.040569 0.370174 0.512162 C\n0.959431 0.870174 0.987838 C\n0.459431 0.629826 0.012162 C\n0.540569 0.129826 0.487838 C\n0.110173 0.394434 0.755723 C\n0.889827 0.894434 0.744277 C\n0.389827 0.605566 0.255723 C\n0.610173 0.105566 0.244277 C\n0.137404 0.382413 0.841338 C\n0.862596 0.882413 0.658662 C\n0.362596 0.617587 0.341338 C\n0.637404 0.117587 0.158662 C\n0.127208 0.174232 0.734765 C\n0.872792 0.674232 0.765235 C\n0.372792 0.825768 0.234765 C\n0.627208 0.325768 0.265235 C\n0.042046 0.106347 0.504003 C\n0.957954 0.606347 0.995997 C\n0.457954 0.893653 0.004003 C\n0.542046 0.393653 0.495997 C\n0.055829 0.309635 0.597835 C\n0.944171 0.809635 0.902165 C\n0.444171 0.690365 0.097835 C\n0.555829 0.190365 0.402165 C\n0.095202 0.302036 0.692528 C\n0.904798 0.802036 0.807472 C\n0.404798 0.697964 0.192528 C\n0.595202 0.197964 0.307472 C\n0.245758 0.266833 0.060635 C\n0.754242 0.766833 0.439365 C\n0.254242 0.733167 0.560635 C\n0.745758 0.233167 0.939365 C\n0.292721 0.287669 0.143935 C\n0.707279 0.787669 0.356065 C\n0.207279 0.712331 0.643935 C\n0.792721 0.212331 0.856065 C\n0.203258 0.257758 0.977158 C\n0.796742 0.757758 0.522842 C\n0.296742 0.742242 0.477158 C\n0.703258 0.242242 0.022842 C\n0.023351 0.139864 0.329067 C\n0.976649 0.639864 0.170933 C\n0.476649 0.860136 0.829067 C\n0.523351 0.360136 0.670933 C\n0.039148 0.093596 0.408549 C\n0.960852 0.593596 0.091451 C\n0.460852 0.906404 0.908549 C\n0.539148 0.406404 0.591451 C\n0.025188 0.227423 0.531218 C\n0.974812 0.727423 0.968782 C\n0.474812 0.772577 0.031218 C\n0.525188 0.272577 0.468782 C\n","nsites":80,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.0795450913615907,"density_atomic":0.05412817320550197,"volume":1477.9733965207647,"volume_molar":11.125704791729174,"formula_full":"C80","formula_reduced":"C","formula_anonymous":"A","energy":-615.92021779,"energy_per_atom":-7.699002722375001,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-615.92021779,"band_gap":0.2606999999999999,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0002231,"is_theoretical":true,"updated_at":"2021-11-28T01:36:28.981000Z","spacegroup":19},{"id":"mp-683919","created_at":"2022-09-04T14:39:06.465130Z","structure_string":"C140\n1.0\n5.054406 -8.706131 0.000000\n5.054406 8.706131 0.000000\n0.000000 0.000000 17.999963\nC\n140\ndirect\n0.179078 0.371354 0.429720 C\n0.515729 0.626542 0.817426 C\n0.026765 0.480960 0.682930 C\n0.955790 0.437490 0.250000 C\n0.628646 0.820922 0.429720 C\n0.122498 0.739809 0.114172 C\n0.044966 0.280940 0.317276 C\n0.436300 0.563700 0.013174 C\n0.052916 0.358829 0.114226 C\n0.877502 0.260191 0.614172 C\n0.375734 0.767171 0.030501 C\n0.515729 0.626542 0.682574 C\n0.820922 0.628646 0.929720 C\n0.498693 0.733315 0.027928 C\n0.947084 0.641171 0.885774 C\n0.016599 0.475851 0.114164 C\n0.309137 0.403488 0.750000 C\n0.690863 0.596512 0.250000 C\n0.232829 0.624266 0.030501 C\n0.947084 0.641171 0.614226 C\n0.498693 0.733315 0.472072 C\n0.626542 0.515729 0.317426 C\n0.006542 0.685536 0.750000 C\n0.833910 0.755301 0.682584 C\n0.373458 0.484271 0.817426 C\n0.513885 0.486115 0.061065 C\n0.388513 0.892108 0.428646 C\n0.699712 0.749480 0.113923 C\n0.596512 0.690863 0.750000 C\n0.973235 0.519040 0.317070 C\n0.611487 0.107892 0.928646 C\n0.973235 0.519040 0.182930 C\n0.767171 0.375734 0.969499 C\n0.501307 0.266685 0.527928 C\n0.699712 0.749480 0.386077 C\n0.388513 0.892108 0.071354 C\n0.761401 0.757791 0.750000 C\n0.877502 0.260191 0.885828 C\n0.626542 0.515729 0.182574 C\n0.360629 0.407552 0.613836 C\n0.232829 0.624266 0.469499 C\n0.486115 0.513885 0.561065 C\n0.358829 0.052916 0.885774 C\n0.086960 0.767791 0.250000 C\n0.016599 0.475851 0.385836 C\n0.833910 0.755301 0.817416 C\n0.501307 0.266685 0.972072 C\n0.592448 0.639371 0.886164 C\n0.955034 0.719060 0.682724 C\n0.407552 0.360629 0.113836 C\n0.375734 0.767171 0.469499 C\n0.232209 0.913040 0.250000 C\n0.563700 0.436300 0.986826 C\n0.407552 0.360629 0.386164 C\n0.052916 0.358829 0.385774 C\n0.682462 0.038255 0.817183 C\n0.436300 0.563700 0.486826 C\n0.563700 0.436300 0.513174 C\n0.044966 0.280940 0.182724 C\n0.767791 0.086960 0.750000 C\n0.624266 0.232829 0.530501 C\n0.122498 0.739809 0.385828 C\n0.628646 0.820922 0.070280 C\n0.280940 0.044966 0.682724 C\n0.519040 0.973235 0.817070 C\n0.682462 0.038255 0.682817 C\n0.179078 0.371354 0.070280 C\n0.371354 0.179078 0.929720 C\n0.260191 0.877502 0.114172 C\n0.639371 0.592448 0.386164 C\n0.733315 0.498693 0.972072 C\n0.484271 0.373458 0.182574 C\n0.892108 0.388513 0.571354 C\n0.685536 0.006542 0.250000 C\n0.993458 0.314464 0.250000 C\n0.038255 0.682462 0.317183 C\n0.719060 0.955034 0.182724 C\n0.983401 0.524149 0.614164 C\n0.317538 0.961745 0.182817 C\n0.524149 0.983401 0.114164 C\n0.480960 0.026765 0.317070 C\n0.250520 0.300288 0.386077 C\n0.913040 0.232209 0.750000 C\n0.300288 0.250520 0.886077 C\n0.475851 0.016599 0.885836 C\n0.437490 0.955790 0.750000 C\n0.733315 0.498693 0.527928 C\n0.892108 0.388513 0.928646 C\n0.373458 0.484271 0.682574 C\n0.107892 0.611487 0.428646 C\n0.166090 0.244699 0.182584 C\n0.371354 0.179078 0.570280 C\n0.757791 0.761401 0.250000 C\n0.641171 0.947084 0.114226 C\n0.562510 0.044210 0.250000 C\n0.280940 0.044966 0.817276 C\n0.486115 0.513885 0.938935 C\n0.266685 0.501307 0.027928 C\n0.107892 0.611487 0.071354 C\n0.961745 0.317538 0.682817 C\n0.624266 0.232829 0.969499 C\n0.513885 0.486115 0.438935 C\n0.749480 0.699712 0.613923 C\n0.767171 0.375734 0.530501 C\n0.360629 0.407552 0.886164 C\n0.739809 0.122498 0.614172 C\n0.611487 0.107892 0.571354 C\n0.749480 0.699712 0.886077 C\n0.266685 0.501307 0.472072 C\n0.519040 0.973235 0.682930 C\n0.244699 0.166090 0.817416 C\n0.044210 0.562510 0.750000 C\n0.641171 0.947084 0.385774 C\n0.238599 0.242209 0.250000 C\n0.166090 0.244699 0.317416 C\n0.244699 0.166090 0.682584 C\n0.755301 0.833910 0.182584 C\n0.475851 0.016599 0.614164 C\n0.250520 0.300288 0.113923 C\n0.755301 0.833910 0.317416 C\n0.480960 0.026765 0.182930 C\n0.524149 0.983401 0.385836 C\n0.317538 0.961745 0.317183 C\n0.983401 0.524149 0.885836 C\n0.403488 0.309137 0.250000 C\n0.300288 0.250520 0.613923 C\n0.820922 0.628646 0.570280 C\n0.719060 0.955034 0.317276 C\n0.038255 0.682462 0.182817 C\n0.242209 0.238599 0.750000 C\n0.314464 0.993458 0.750000 C\n0.955034 0.719060 0.817276 C\n0.961745 0.317538 0.817183 C\n0.358829 0.052916 0.614226 C\n0.592448 0.639371 0.613836 C\n0.026765 0.480960 0.817070 C\n0.739809 0.122498 0.885828 C\n0.484271 0.373458 0.317426 C\n0.639371 0.592448 0.113836 C\n0.260191 0.877502 0.385828 C\n","nsites":140,"nelements":1,"elements":["C"],"chemical_system":"C","density":1.7625787211241286,"density_atomic":0.08837534167749117,"volume":1584.1522911549594,"volume_molar":6.814277201865477,"formula_full":"C140","formula_reduced":"C","formula_anonymous":"A","energy":-1242.95536728,"energy_per_atom":-8.87825262342857,"energy_above_hull":null,"is_stable":null,"decomposes_to":null,"formation_energy":null,"formation_energy_per_atom":null,"energy_uncorrected":-1242.95536728,"band_gap":1.1046999999999998,"is_gap_direct":false,"is_magnetic":false,"total_magnetization":0.0024288,"is_theoretical":false,"updated_at":"2021-11-28T01:34:28.965000Z","spacegroup":63}]}