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=elements&page=9",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=7",
"results": [
{
"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-568363",
"created_at": "2022-09-04T14:48:14.909600Z",
"structure_string": "C4\n1.0\n1.233371 -2.138533 0.000000\n1.233371 2.138533 0.000000\n0.000000 0.000000 8.149903\nC\n4\ndirect\n0.583259 0.416741 0.234124 C\n0.416741 0.583259 0.765876 C\n0.916741 0.083259 0.234124 C\n0.083259 0.916741 0.765876 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8556039302537173,
"density_atomic": 0.09303960690599922,
"volume": 42.992443036021456,
"volume_molar": 6.472663589480074,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.88164632,
"energy_per_atom": -9.22041158,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.88164632,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:35.324000Z",
"spacegroup": 67
},
{
"id": "mp-1196583",
"created_at": "2022-09-04T14:44:27.728948Z",
"structure_string": "C240\n1.0\n14.295700 0.000000 0.000000\n0.000000 14.295700 0.000000\n-0.000000 -0.000000 14.295700\nC\n240\ndirect\n0.399630 0.724993 0.967534 C\n0.600371 0.224993 0.532466 C\n0.100371 0.275007 0.467534 C\n0.899629 0.775007 0.032466 C\n0.967534 0.399630 0.724993 C\n0.532466 0.600371 0.224993 C\n0.467534 0.100371 0.275007 C\n0.032466 0.899629 0.775007 C\n0.724993 0.967534 0.399630 C\n0.224993 0.532466 0.600371 C\n0.275007 0.467534 0.100371 C\n0.775007 0.032466 0.899629 C\n0.600371 0.275007 0.032466 C\n0.399630 0.775007 0.467534 C\n0.899629 0.724993 0.532466 C\n0.100371 0.224993 0.967534 C\n0.032466 0.600371 0.275007 C\n0.467534 0.399630 0.775007 C\n0.532466 0.899629 0.724993 C\n0.967534 0.100371 0.224993 C\n0.275007 0.032466 0.600371 C\n0.775007 0.467534 0.399630 C\n0.724993 0.532466 0.899629 C\n0.224993 0.967534 0.100371 C\n0.493610 0.742233 0.946052 C\n0.506390 0.242233 0.553948 C\n0.006390 0.257767 0.446052 C\n0.993610 0.757767 0.053948 C\n0.946052 0.493610 0.742233 C\n0.553948 0.506390 0.242233 C\n0.446052 0.006390 0.257767 C\n0.053948 0.993610 0.757767 C\n0.742233 0.946052 0.493610 C\n0.242233 0.553948 0.506390 C\n0.257767 0.446052 0.006390 C\n0.757767 0.053948 0.993610 C\n0.506390 0.257767 0.053948 C\n0.493610 0.757767 0.446052 C\n0.993610 0.742233 0.553948 C\n0.006390 0.242233 0.946052 C\n0.053948 0.506390 0.257767 C\n0.446052 0.493610 0.757767 C\n0.553948 0.993610 0.742233 C\n0.946052 0.006390 0.242233 C\n0.257767 0.053948 0.506390 C\n0.757767 0.446052 0.493610 C\n0.742233 0.553948 0.993610 C\n0.242233 0.946052 0.006390 C\n0.372164 0.704062 0.063137 C\n0.627836 0.204062 0.436863 C\n0.127836 0.295938 0.563137 C\n0.872164 0.795938 0.936863 C\n0.063137 0.372164 0.704062 C\n0.436863 0.627836 0.204062 C\n0.563137 0.127836 0.295938 C\n0.936863 0.872164 0.795938 C\n0.704062 0.063137 0.372164 C\n0.204062 0.436863 0.627836 C\n0.295938 0.563137 0.127836 C\n0.795938 0.936863 0.872164 C\n0.627836 0.295938 0.936863 C\n0.372164 0.795938 0.563137 C\n0.872164 0.704062 0.436863 C\n0.127836 0.204062 0.063137 C\n0.936863 0.627836 0.295938 C\n0.563137 0.372164 0.795938 C\n0.436863 0.872164 0.704062 C\n0.063137 0.127836 0.204062 C\n0.295938 0.936863 0.627836 C\n0.795938 0.563137 0.372164 C\n0.704062 0.436863 0.872164 C\n0.204062 0.063137 0.127836 C\n0.534812 0.703117 0.861609 C\n0.465188 0.203117 0.638391 C\n0.965188 0.296883 0.361609 C\n0.034812 0.796883 0.138391 C\n0.861609 0.534812 0.703117 C\n0.638391 0.465188 0.203117 C\n0.361609 0.965188 0.296883 C\n0.138391 0.034812 0.796883 C\n0.703117 0.861609 0.534812 C\n0.203117 0.638391 0.465188 C\n0.296883 0.361609 0.965188 C\n0.796883 0.138391 0.034812 C\n0.465188 0.296883 0.138391 C\n0.534812 0.796883 0.361609 C\n0.034812 0.703117 0.638391 C\n0.965188 0.203117 0.861609 C\n0.138391 0.465188 0.296883 C\n0.361609 0.534812 0.796883 C\n0.638391 0.034812 0.703117 C\n0.861609 0.965188 0.203117 C\n0.296883 0.138391 0.465188 C\n0.796883 0.361609 0.534812 C\n0.703117 0.638391 0.034812 C\n0.203117 0.861609 0.965188 C\n0.342974 0.667929 0.905323 C\n0.657026 0.167929 0.594677 C\n0.157026 0.332071 0.405323 C\n0.842974 0.832071 0.094677 C\n0.905323 0.342974 0.667929 C\n0.594677 0.657026 0.167929 C\n0.405323 0.157026 0.332071 C\n0.094677 0.842974 0.832071 C\n0.667929 0.905323 0.342974 C\n0.167929 0.594677 0.657026 C\n0.332071 0.405323 0.157026 C\n0.832071 0.094677 0.842974 C\n0.657026 0.332071 0.094677 C\n0.342974 0.832071 0.405323 C\n0.842974 0.667929 0.594677 C\n0.157026 0.167929 0.905323 C\n0.094677 0.657026 0.332071 C\n0.405323 0.342974 0.832071 C\n0.594677 0.842974 0.667929 C\n0.905323 0.157026 0.167929 C\n0.332071 0.094677 0.657026 C\n0.832071 0.405323 0.342974 C\n0.667929 0.594677 0.842974 C\n0.167929 0.905323 0.157026 C\n0.537444 0.719521 0.111461 C\n0.462556 0.219521 0.388539 C\n0.962556 0.280479 0.611461 C\n0.037444 0.780479 0.888539 C\n0.111461 0.537444 0.719521 C\n0.388539 0.462556 0.219521 C\n0.611461 0.962556 0.280479 C\n0.888539 0.037444 0.780479 C\n0.719521 0.111461 0.537444 C\n0.219521 0.388539 0.462556 C\n0.280479 0.611461 0.962556 C\n0.780479 0.888539 0.037444 C\n0.462556 0.280479 0.888539 C\n0.537444 0.780479 0.611461 C\n0.037444 0.719521 0.388539 C\n0.962556 0.219521 0.111461 C\n0.888539 0.462556 0.280479 C\n0.611461 0.537444 0.780479 C\n0.388539 0.037444 0.719521 C\n0.111461 0.962556 0.219521 C\n0.280479 0.888539 0.462556 C\n0.780479 0.611461 0.537444 C\n0.719521 0.388539 0.037444 C\n0.219521 0.111461 0.962556 C\n0.563828 0.739695 0.019254 C\n0.436172 0.239695 0.480746 C\n0.936172 0.260305 0.519254 C\n0.063828 0.760305 0.980746 C\n0.019254 0.563828 0.739695 C\n0.480746 0.436172 0.239695 C\n0.519254 0.936172 0.260305 C\n0.980746 0.063828 0.760305 C\n0.739695 0.019254 0.563828 C\n0.239695 0.480746 0.436172 C\n0.260305 0.519254 0.936172 C\n0.760305 0.980746 0.063828 C\n0.436172 0.260305 0.980746 C\n0.563828 0.760305 0.519254 C\n0.063828 0.739695 0.480746 C\n0.936172 0.239695 0.019254 C\n0.980746 0.436172 0.260305 C\n0.519254 0.563828 0.760305 C\n0.480746 0.063828 0.739695 C\n0.019254 0.936172 0.239695 C\n0.260305 0.980746 0.436172 C\n0.760305 0.519254 0.563828 C\n0.739695 0.480746 0.063828 C\n0.239695 0.019254 0.936172 C\n0.439913 0.701311 0.133825 C\n0.560087 0.201311 0.366175 C\n0.060087 0.298689 0.633825 C\n0.939913 0.798689 0.866175 C\n0.133825 0.439913 0.701311 C\n0.366175 0.560087 0.201311 C\n0.633825 0.060087 0.298689 C\n0.866175 0.939913 0.798689 C\n0.701311 0.133825 0.439913 C\n0.201311 0.366175 0.560087 C\n0.298689 0.633825 0.060087 C\n0.798689 0.866175 0.939913 C\n0.560087 0.298689 0.866175 C\n0.439913 0.798689 0.633825 C\n0.939913 0.701311 0.366175 C\n0.060087 0.201311 0.133825 C\n0.866175 0.560087 0.298689 C\n0.633825 0.439913 0.798689 C\n0.366175 0.939913 0.701311 C\n0.133825 0.060087 0.201311 C\n0.298689 0.866175 0.560087 C\n0.798689 0.633825 0.439913 C\n0.701311 0.366175 0.939913 C\n0.201311 0.133825 0.060087 C\n0.480226 0.648184 0.801623 C\n0.519774 0.148184 0.698377 C\n0.019774 0.351816 0.301623 C\n0.980226 0.851816 0.198377 C\n0.801623 0.480226 0.648184 C\n0.698377 0.519774 0.148184 C\n0.301623 0.019774 0.351816 C\n0.198377 0.980226 0.851816 C\n0.648184 0.801623 0.480226 C\n0.148184 0.698377 0.519774 C\n0.351816 0.301623 0.019774 C\n0.851816 0.198377 0.980226 C\n0.519774 0.351816 0.198377 C\n0.480226 0.851816 0.301623 C\n0.980226 0.648184 0.698377 C\n0.019774 0.148184 0.801623 C\n0.198377 0.519774 0.351816 C\n0.301623 0.480226 0.851816 C\n0.698377 0.980226 0.648184 C\n0.801623 0.019774 0.148184 C\n0.351816 0.198377 0.519774 C\n0.851816 0.301623 0.480226 C\n0.648184 0.698377 0.980226 C\n0.148184 0.801623 0.019774 C\n0.382696 0.630239 0.823966 C\n0.617304 0.130239 0.676034 C\n0.117304 0.369761 0.323966 C\n0.882696 0.869761 0.176034 C\n0.823966 0.382696 0.630239 C\n0.676034 0.617304 0.130239 C\n0.323966 0.117304 0.369761 C\n0.176034 0.882696 0.869761 C\n0.630239 0.823966 0.382696 C\n0.130239 0.676034 0.617304 C\n0.369761 0.323966 0.117304 C\n0.869761 0.176034 0.882696 C\n0.617304 0.369761 0.176034 C\n0.382696 0.869761 0.323966 C\n0.882696 0.630239 0.676034 C\n0.117304 0.130239 0.823966 C\n0.176034 0.617304 0.369761 C\n0.323966 0.382696 0.869761 C\n0.676034 0.882696 0.630239 C\n0.823966 0.117304 0.130239 C\n0.369761 0.176034 0.617304 C\n0.869761 0.323966 0.382696 C\n0.630239 0.676034 0.882696 C\n0.130239 0.823966 0.117304 C\n",
"nsites": 240,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.6383714871150652,
"density_atomic": 0.0821476160089512,
"volume": 2921.569872141493,
"volume_molar": 7.33087708758803,
"formula_full": "C240",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -2122.47105768,
"energy_per_atom": -8.843629407,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -2122.47105768,
"band_gap": 1.3604,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:39.046000Z",
"spacegroup": 205
},
{
"id": "mp-1245190",
"created_at": "2022-09-04T14:39:33.825755Z",
"structure_string": "C100\n1.0\n10.200650 0.029229 -0.313752\n0.036144 10.418864 -0.129847\n-0.316005 -0.118581 10.532437\nC\n100\ndirect\n0.020024 0.729011 0.744819 C\n0.955536 0.667969 0.645795 C\n0.376616 0.463696 0.726293 C\n0.749409 0.289837 0.867570 C\n0.889802 0.700264 0.956755 C\n0.261149 0.979015 0.626477 C\n0.798091 0.350518 0.431571 C\n0.188686 0.204063 0.873386 C\n0.208484 0.715592 0.105892 C\n0.212851 0.902976 0.256220 C\n0.921236 0.218827 0.599467 C\n0.878308 0.340109 0.553135 C\n0.427934 0.993404 0.446310 C\n0.506316 0.083809 0.382983 C\n0.428863 0.442597 0.861239 C\n0.124388 0.604102 0.909065 C\n0.842864 0.878269 0.279866 C\n0.021187 0.053337 0.203870 C\n0.397207 0.989708 0.574202 C\n0.907903 0.951094 0.772455 C\n0.099002 0.843259 0.714381 C\n0.463010 0.791153 0.774770 C\n0.553394 0.332034 0.645109 C\n0.449876 0.878272 0.008180 C\n0.252522 0.504575 0.727198 C\n0.866657 0.617771 0.192624 C\n0.226071 0.299468 0.341779 C\n0.894511 0.383818 0.312444 C\n0.095922 0.973190 0.311072 C\n0.149650 0.026923 0.539950 C\n0.076216 0.000584 0.086637 C\n0.828917 0.987989 0.348545 C\n0.664153 0.816553 0.928863 C\n0.515837 0.558031 0.170656 C\n0.084888 0.829431 0.948298 C\n0.023434 0.709665 0.888420 C\n0.022456 0.020190 0.575097 C\n0.656889 0.232982 0.803682 C\n0.525916 0.522379 0.911252 C\n0.333594 0.845022 0.949092 C\n0.230591 0.873260 0.715343 C\n0.860512 0.473171 0.995017 C\n0.862426 0.568509 0.429327 C\n0.573739 0.874834 0.000624 C\n0.172618 0.543938 0.808436 C\n0.588130 0.201481 0.397481 C\n0.173914 0.061300 0.404197 C\n0.142572 0.653908 0.302435 C\n0.962101 0.397580 0.646238 C\n0.252282 0.362726 0.007690 C\n0.373159 0.071602 0.672175 C\n0.822602 0.372199 0.934757 C\n0.741807 0.484255 0.425142 C\n0.240462 0.481837 0.086142 C\n0.817222 0.752518 0.234674 C\n0.425199 0.487567 0.247246 C\n0.915696 0.107737 0.527964 C\n0.190255 0.595154 0.038172 C\n0.000010 0.947831 0.685776 C\n0.026702 0.185238 0.259851 C\n0.326035 0.231347 0.842111 C\n0.623126 0.513371 0.364341 C\n0.578927 0.748709 0.827384 C\n0.304545 0.002514 0.351650 C\n0.341017 0.826732 0.803795 C\n0.874897 0.592431 0.047655 C\n0.295363 0.472900 0.217151 C\n0.351812 0.345081 0.917484 C\n0.947126 0.285599 0.257792 C\n0.954957 0.962380 0.284901 C\n0.212668 0.830939 0.024023 C\n0.489103 0.304308 0.369415 C\n0.162753 0.260715 0.998268 C\n0.808728 0.805813 0.933949 C\n0.910790 0.627848 0.536163 C\n0.201837 0.748397 0.238628 C\n0.539621 0.234169 0.731678 C\n0.812264 0.100367 0.429844 C\n0.614964 0.601125 0.256688 C\n0.508390 0.433268 0.348954 C\n0.091288 0.534434 0.308311 C\n0.493543 0.452080 0.652325 C\n0.384305 0.116367 0.316443 C\n0.581418 0.246145 0.093955 C\n0.934991 0.527077 0.306514 C\n0.092718 0.220876 0.784862 C\n0.544513 0.493541 0.047463 C\n0.408097 0.174299 0.752912 C\n0.008185 0.270472 0.702622 C\n0.723823 0.213880 0.414181 C\n0.571556 0.553983 0.694617 C\n0.193639 0.427869 0.297721 C\n0.139087 0.195428 0.351952 C\n0.579908 0.607599 0.812874 C\n0.361055 0.247646 0.335424 C\n0.192723 0.938248 0.117528 C\n0.011778 0.935485 0.974420 C\n0.886738 0.920189 0.891818 C\n0.560577 0.364485 0.070283 C\n0.730879 0.660572 0.225830 C\n",
"nsites": 100,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.7836335358794422,
"density_atomic": 0.08943102584390977,
"volume": 1118.1801735623271,
"volume_molar": 6.733838400233564,
"formula_full": "C100",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -821.37190889,
"energy_per_atom": -8.2137190889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -821.37190889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1176063,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.199000Z",
"spacegroup": 1
},
{
"id": "mp-1205283",
"created_at": "2022-09-04T14:47:08.851056Z",
"structure_string": "C120\n1.0\n9.118096 0.000000 0.000000\n0.000000 9.634506 0.000000\n0.000000 0.000000 13.322437\nC\n120\ndirect\n0.500000 0.267658 0.271796 C\n0.500000 0.732342 0.728204 C\n0.000000 0.232342 0.771796 C\n0.000000 0.767658 0.228204 C\n0.412357 0.759071 0.302712 C\n0.412357 0.240929 0.697288 C\n0.087643 0.740929 0.802712 C\n0.087643 0.259071 0.197288 C\n0.587643 0.240929 0.697288 C\n0.587643 0.759071 0.302712 C\n0.912357 0.259071 0.197288 C\n0.912357 0.740929 0.802712 C\n0.077412 0.392295 0.429945 C\n0.077412 0.607705 0.570055 C\n0.422588 0.107705 0.929945 C\n0.422588 0.892295 0.070055 C\n0.922588 0.607705 0.570055 C\n0.922588 0.392295 0.429945 C\n0.577412 0.892295 0.070055 C\n0.577412 0.107705 0.929945 C\n0.413976 0.489393 0.252007 C\n0.413976 0.510607 0.747993 C\n0.086024 0.010607 0.752007 C\n0.086024 0.989393 0.247993 C\n0.586024 0.510607 0.747993 C\n0.586024 0.489393 0.252007 C\n0.913976 0.989393 0.247993 C\n0.913976 0.010607 0.752007 C\n0.224688 0.602534 0.366641 C\n0.224688 0.397466 0.633359 C\n0.275312 0.897466 0.866641 C\n0.275312 0.102534 0.133359 C\n0.775312 0.397466 0.633359 C\n0.775312 0.602534 0.366641 C\n0.724688 0.102534 0.133359 C\n0.724688 0.897466 0.866641 C\n0.281173 0.760612 0.222119 C\n0.281173 0.239388 0.777881 C\n0.218827 0.739388 0.722119 C\n0.218827 0.260612 0.277881 C\n0.718827 0.239388 0.777881 C\n0.718827 0.760612 0.222119 C\n0.781173 0.260612 0.277881 C\n0.781173 0.739388 0.722119 C\n0.365650 0.348228 0.255963 C\n0.365650 0.651772 0.744037 C\n0.134350 0.151772 0.755963 C\n0.134350 0.848228 0.244037 C\n0.634350 0.651772 0.744037 C\n0.634350 0.348228 0.255963 C\n0.865650 0.848228 0.244037 C\n0.865650 0.151772 0.755963 C\n0.329557 0.620965 0.283501 C\n0.329557 0.379035 0.716499 C\n0.170443 0.879035 0.783501 C\n0.170443 0.120965 0.216499 C\n0.670443 0.379035 0.716499 C\n0.670443 0.620965 0.283501 C\n0.829557 0.120965 0.216499 C\n0.829557 0.879035 0.783501 C\n0.149761 0.491370 0.385322 C\n0.149761 0.508630 0.614678 C\n0.350239 0.008630 0.885322 C\n0.350239 0.991370 0.114678 C\n0.850239 0.508630 0.614678 C\n0.850239 0.491370 0.385322 C\n0.649761 0.991370 0.114678 C\n0.649761 0.008630 0.885322 C\n0.500000 0.833747 0.653448 C\n0.500000 0.166253 0.346552 C\n0.000000 0.666253 0.153448 C\n0.000000 0.333747 0.846552 C\n0.420768 0.861518 0.488122 C\n0.420768 0.138482 0.511878 C\n0.079232 0.638482 0.988122 C\n0.079232 0.361518 0.011878 C\n0.579232 0.138482 0.511878 C\n0.579232 0.861518 0.488122 C\n0.920768 0.361518 0.011878 C\n0.920768 0.638482 0.988122 C\n0.230220 0.719627 0.434901 C\n0.230220 0.280373 0.565099 C\n0.269780 0.780373 0.934901 C\n0.269780 0.219627 0.065099 C\n0.769780 0.280373 0.565099 C\n0.769780 0.719627 0.434901 C\n0.730220 0.219627 0.065099 C\n0.730220 0.780373 0.934901 C\n0.238308 0.783884 0.612484 C\n0.238308 0.216116 0.387516 C\n0.261692 0.716116 0.112484 C\n0.261692 0.283884 0.887516 C\n0.761692 0.216116 0.387516 C\n0.761692 0.783884 0.612484 C\n0.738308 0.283884 0.887516 C\n0.738308 0.716116 0.112484 C\n0.371416 0.849384 0.589412 C\n0.371416 0.150616 0.410588 C\n0.128584 0.650616 0.089412 C\n0.128584 0.349384 0.910588 C\n0.628584 0.150616 0.410588 C\n0.628584 0.849384 0.589412 C\n0.871416 0.349384 0.910588 C\n0.871416 0.650616 0.089412 C\n0.348814 0.802768 0.406359 C\n0.348814 0.197232 0.593641 C\n0.151186 0.697232 0.906359 C\n0.151186 0.302768 0.093641 C\n0.651186 0.197232 0.593641 C\n0.651186 0.802768 0.406359 C\n0.848814 0.302768 0.093641 C\n0.848814 0.697232 0.906359 C\n0.168962 0.719826 0.531859 C\n0.168962 0.280174 0.468141 C\n0.331038 0.780174 0.031859 C\n0.331038 0.219826 0.968141 C\n0.831038 0.280174 0.468141 C\n0.831038 0.719826 0.531859 C\n0.668962 0.219826 0.968141 C\n0.668962 0.780174 0.031859 C\n",
"nsites": 120,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.044943794294427,
"density_atomic": 0.10253306951123002,
"volume": 1170.3541166965347,
"volume_molar": 5.873364358159998,
"formula_full": "C120",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -1023.52351202,
"energy_per_atom": -8.529362600166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1023.52351202,
"band_gap": 0.1060000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.55e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.024000Z",
"spacegroup": 58
},
{
"id": "mp-569416",
"created_at": "2022-09-04T14:43:04.541412Z",
"structure_string": "C8\n1.0\n19.101325 -1.234578 0.000000\n19.101325 1.234578 0.000000\n19.021531 0.000000 2.136862\nC\n8\ndirect\n0.031609 0.031609 0.031609 C\n0.905413 0.905413 0.905413 C\n0.761271 0.761271 0.761271 C\n0.094587 0.094587 0.094587 C\n0.968391 0.968391 0.968391 C\n0.364913 0.364913 0.364913 C\n0.238729 0.238729 0.238729 C\n0.635087 0.635087 0.635087 C\n",
"nsites": 8,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.5831384782625817,
"density_atomic": 0.07937824408206161,
"volume": 100.78328252927291,
"volume_molar": 7.586638920576629,
"formula_full": "C8",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -73.5878218,
"energy_per_atom": -9.198477725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.5878218,
"band_gap": 0.1056000000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.98e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:04.295000Z",
"spacegroup": 166
},
{
"id": "mp-1205417",
"created_at": "2022-09-04T14:42:02.835197Z",
"structure_string": "C20\n1.0\n-5.866125 5.866125 3.395937\n5.866125 -5.866125 3.395937\n5.866125 5.866125 -3.395937\nC\n20\ndirect\n0.176967 0.176967 0.353935 C\n0.823033 0.823033 0.646065 C\n0.823033 0.176967 0.000000 C\n0.176967 0.823033 0.000000 C\n0.051530 0.193492 0.245022 C\n0.948470 0.806508 0.754978 C\n0.948470 0.193492 0.141963 C\n0.051530 0.806508 0.858037 C\n0.806508 0.051530 0.858037 C\n0.193492 0.948470 0.141963 C\n0.193492 0.051530 0.245022 C\n0.806508 0.948470 0.754978 C\n0.050764 0.050764 0.457340 C\n0.593424 0.593424 0.542660 C\n0.593424 0.050764 0.000000 C\n0.050764 0.593424 0.000000 C\n0.949236 0.949236 0.542660 C\n0.406576 0.406576 0.457340 C\n0.406576 0.949236 0.000000 C\n0.949236 0.406576 0.000000 C\n",
"nsites": 20,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 0.8533460260430631,
"density_atomic": 0.0427865976803506,
"volume": 467.4360917737761,
"volume_molar": 14.07482970482979,
"formula_full": "C20",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -161.20052821,
"energy_per_atom": -8.060026410499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.20052821,
"band_gap": 4.1977,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.32e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:39.085000Z",
"spacegroup": 139
},
{
"id": "mp-1181996",
"created_at": "2022-09-04T14:39:35.001890Z",
"structure_string": "C1\n1.0\n-0.810135 0.810135 3.121612\n0.810135 -0.810135 3.121612\n0.810135 0.810135 -3.121612\nC\n1\ndirect\n0.000000 0.000000 0.000000 C\n",
"nsites": 1,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 2.4336813470971252,
"density_atomic": 0.12202429202519499,
"volume": 8.195089546543116,
"volume_molar": 4.935198279008722,
"formula_full": "C1",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -6.59184474,
"energy_per_atom": -6.59184474,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -6.59184474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.937000Z",
"spacegroup": 139
},
{
"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-611448",
"created_at": "2022-09-04T14:48:21.597021Z",
"structure_string": "C12\n1.0\n1.261126 -2.184334 0.000000\n1.261126 2.184334 0.000000\n0.000000 0.000000 12.433927\nC\n12\ndirect\n0.666667 0.333333 0.354860 C\n0.333333 0.666667 0.854860 C\n0.666667 0.333333 0.020765 C\n0.333333 0.666667 0.645140 C\n0.333333 0.666667 0.979235 C\n0.000000 0.000000 0.686902 C\n0.666667 0.333333 0.479235 C\n0.333333 0.666667 0.520765 C\n0.000000 0.000000 0.313098 C\n0.666667 0.333333 0.145140 C\n0.000000 0.000000 0.813098 C\n0.000000 0.000000 0.186902 C\n",
"nsites": 12,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 3.493677627431383,
"density_atomic": 0.17517229178753446,
"volume": 68.50398472011051,
"volume_molar": 3.437838655044956,
"formula_full": "C12",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -109.01007592000002,
"energy_per_atom": -9.084172993333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -109.01007592000002,
"band_gap": 4.399799999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0135258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:03.626000Z",
"spacegroup": 194
},
{
"id": "mp-568286",
"created_at": "2022-09-04T14:42:56.678366Z",
"structure_string": "C4\n1.0\n1.233681 -2.137262 0.000000\n1.233681 2.137262 0.000000\n0.000000 0.000000 8.028328\nC\n4\ndirect\n0.583421 0.416579 0.760058 C\n0.083421 0.916579 0.239942 C\n0.416579 0.583421 0.239942 C\n0.916579 0.083421 0.760058 C\n",
"nsites": 4,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.8843504024722024,
"density_atomic": 0.09448094922670469,
"volume": 42.336577190837694,
"volume_molar": 6.37392067849575,
"formula_full": "C4",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -36.88190665,
"energy_per_atom": -9.2204766625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -36.88190665,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015484,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.781000Z",
"spacegroup": 67
},
{
"id": "mp-1196857",
"created_at": "2022-09-04T14:39:11.168662Z",
"structure_string": "C52\n1.0\n9.105024 0.000000 0.000000\n0.000000 18.943520 0.000000\n0.000000 0.000000 5.917269\nC\n52\ndirect\n0.860296 0.788265 0.077894 C\n0.360296 0.711735 0.422106 C\n0.139704 0.288265 0.922106 C\n0.639704 0.211735 0.577894 C\n0.139704 0.211735 0.922106 C\n0.639704 0.288265 0.577894 C\n0.860296 0.711735 0.077894 C\n0.360296 0.788265 0.422106 C\n0.922058 0.840189 0.207588 C\n0.422058 0.659811 0.292412 C\n0.077942 0.340189 0.792412 C\n0.577942 0.159811 0.707588 C\n0.077942 0.159811 0.792412 C\n0.577942 0.340189 0.707588 C\n0.922058 0.659811 0.207588 C\n0.422058 0.840189 0.292412 C\n0.898630 0.905657 0.156797 C\n0.398630 0.594343 0.343203 C\n0.101370 0.405657 0.843203 C\n0.601370 0.094343 0.656797 C\n0.101370 0.094343 0.843203 C\n0.601370 0.405657 0.656797 C\n0.898630 0.594343 0.156797 C\n0.398630 0.905657 0.343203 C\n0.819340 0.926678 0.984225 C\n0.319340 0.573322 0.515775 C\n0.180660 0.426678 0.015775 C\n0.680660 0.073322 0.484225 C\n0.180660 0.073322 0.015775 C\n0.680660 0.426678 0.484225 C\n0.819340 0.573322 0.984225 C\n0.319340 0.926678 0.515775 C\n0.753751 0.885473 0.844101 C\n0.253751 0.614527 0.655899 C\n0.246249 0.385473 0.155899 C\n0.746249 0.114527 0.344101 C\n0.246249 0.114527 0.155899 C\n0.746249 0.385473 0.344101 C\n0.753751 0.614527 0.844101 C\n0.253751 0.885473 0.655899 C\n0.767227 0.813059 0.875266 C\n0.267227 0.686941 0.624734 C\n0.232773 0.313059 0.124734 C\n0.732773 0.186941 0.375266 C\n0.232773 0.186941 0.124734 C\n0.732773 0.313059 0.375266 C\n0.767227 0.686941 0.875266 C\n0.267227 0.813059 0.624734 C\n0.721100 0.750000 0.773747 C\n0.221100 0.750000 0.726253 C\n0.278900 0.250000 0.226253 C\n0.778900 0.250000 0.273747 C\n",
"nsites": 52,
"nelements": 1,
"elements": [
"C"
],
"chemical_system": "C",
"density": 1.0161496501694414,
"density_atomic": 0.05094953856694336,
"volume": 1020.61768295853,
"volume_molar": 11.819814132541001,
"formula_full": "C52",
"formula_reduced": "C",
"formula_anonymous": "A",
"energy": -396.63443624,
"energy_per_atom": -7.627585312307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63443624,
"band_gap": 0.5989,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0250677,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.549000Z",
"spacegroup": 62
}
]
}