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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-nelements&page=44",
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"results": [
{
"id": "mp-761146",
"created_at": "2022-09-04T14:46:02.347758Z",
"structure_string": "K2 Li4 Mn2 P2 C2 O14\n1.0\n-0.048080 -0.000059 5.556841\n-0.000039 6.867109 -0.000093\n-8.830876 0.000083 0.286216\nK Li Mn P C O\n2 4 2 2 2 14\ndirect\n0.220968 0.465905 0.771943 K\n0.778950 0.965909 0.228005 K\n0.205514 0.919490 0.800280 Li\n0.658599 0.069923 0.852089 Li\n0.341284 0.569912 0.147887 Li\n0.794394 0.419490 0.199688 Li\n0.778122 0.770032 0.623269 Mn\n0.221809 0.269998 0.376708 Mn\n0.716408 0.279056 0.569887 P\n0.283516 0.779061 0.430087 P\n0.716221 0.729973 0.943608 C\n0.283721 0.229990 0.056366 C\n0.346244 0.137048 0.934101 O\n0.936574 0.786590 0.916596 O\n0.553275 0.778303 0.845678 O\n0.803665 0.095761 0.658242 O\n0.782146 0.460854 0.663394 O\n0.161514 0.784953 0.593105 O\n0.439642 0.266171 0.557075 O\n0.560282 0.766227 0.442906 O\n0.838410 0.284946 0.406870 O\n0.217741 0.960832 0.336560 O\n0.196298 0.595733 0.341757 O\n0.446679 0.278286 0.154301 O\n0.063387 0.286654 0.083381 O\n0.653662 0.637038 0.065877 O\n",
"nsites": 26,
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"elements": [
"K",
"Li",
"Mn",
"P",
"C",
"O"
],
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"density": 2.591692591159071,
"density_atomic": 0.07717727798688372,
"volume": 336.8867194878096,
"volume_molar": 7.8029970958854795,
"formula_full": "K2 Li4 Mn2 P2 C2 O14",
"formula_reduced": "KLi2MnPCO7",
"formula_anonymous": "ABCDE2F7",
"energy": -188.34962185,
"energy_per_atom": -7.244216225000001,
"energy_above_hull": null,
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"decomposes_to": null,
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"band_gap": 3.0119,
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"is_magnetic": true,
"total_magnetization": 10.0009315,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.318000Z",
"spacegroup": 4
},
{
"id": "mp-1228046",
"created_at": "2022-09-04T14:47:11.097456Z",
"structure_string": "Ba1 Fe1 Cu1 Pb2 Cl1 O5\n1.0\n3.972834 0.000000 0.000000\n0.000000 3.972834 0.000000\n0.000000 0.000000 11.593928\nBa Fe Cu Pb Cl O\n1 1 1 2 1 5\ndirect\n0.500000 0.500000 0.514048 Ba\n0.000000 0.000000 0.325408 Fe\n0.000000 0.000000 0.689344 Cu\n0.500000 0.500000 0.832315 Pb\n0.500000 0.500000 0.161084 Pb\n0.000000 0.000000 0.006708 Cl\n0.000000 0.500000 0.706491 O\n0.500000 0.000000 0.706491 O\n0.000000 0.500000 0.285556 O\n0.500000 0.000000 0.285556 O\n0.000000 0.000000 0.486999 O\n",
"nsites": 11,
"nelements": 6,
"elements": [
"Ba",
"Fe",
"Cu",
"Pb",
"Cl",
"O"
],
"chemical_system": "Ba-Cl-Cu-Fe-O-Pb",
"density": 7.137628409711413,
"density_atomic": 0.060112009756031905,
"volume": 182.9917190365809,
"volume_molar": 10.01819899956965,
"formula_full": "Ba1 Fe1 Cu1 Pb2 Cl1 O5",
"formula_reduced": "BaFeCuPb2ClO5",
"formula_anonymous": "ABCDE2F5",
"energy": -67.86972895,
"energy_per_atom": -6.169975359090909,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"formation_energy_per_atom": null,
"energy_uncorrected": -61.56472895,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9016329,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.811000Z",
"spacegroup": 99
},
{
"id": "mp-708969",
"created_at": "2022-09-04T14:48:12.054106Z",
"structure_string": "P4 H48 Pd2 C24 Br4 N12\n1.0\n12.021813 0.000000 0.000000\n0.000000 7.434562 0.000000\n0.000000 6.515796 10.516232\nP H Pd C Br N\n4 48 2 24 4 12\ndirect\n0.674409 0.412242 0.952052 P\n0.825591 0.412242 0.452052 P\n0.325591 0.587758 0.047948 P\n0.174409 0.587758 0.547948 P\n0.660175 0.593321 0.719700 H\n0.839825 0.593321 0.219700 H\n0.339825 0.406679 0.280300 H\n0.160175 0.406679 0.780300 H\n0.615616 0.325303 0.794705 H\n0.884384 0.325303 0.294705 H\n0.384384 0.674697 0.205295 H\n0.115616 0.674697 0.705295 H\n0.824154 0.551063 0.022857 H\n0.675846 0.551063 0.522857 H\n0.175846 0.448937 0.977143 H\n0.324154 0.448937 0.477143 H\n0.788747 0.734038 0.861490 H\n0.711253 0.734038 0.361490 H\n0.211253 0.265962 0.138510 H\n0.288747 0.265962 0.638510 H\n0.673224 0.025219 0.062017 H\n0.826776 0.025219 0.562017 H\n0.326776 0.974781 0.937983 H\n0.173224 0.974781 0.437983 H\n0.752574 0.111929 0.147295 H\n0.747426 0.111929 0.647295 H\n0.247426 0.888071 0.852705 H\n0.252574 0.888071 0.352705 H\n0.854115 0.675936 0.696720 H\n0.645885 0.675936 0.196720 H\n0.145885 0.324064 0.303280 H\n0.354115 0.324064 0.803280 H\n0.953621 0.475324 0.733576 H\n0.546379 0.475324 0.233576 H\n0.046379 0.524676 0.266424 H\n0.453621 0.524676 0.766424 H\n0.935728 0.248497 0.079437 H\n0.564272 0.248497 0.579437 H\n0.064272 0.751503 0.920563 H\n0.435728 0.751503 0.420563 H\n0.003457 0.223620 0.960174 H\n0.496543 0.223620 0.460174 H\n0.996543 0.776380 0.039826 H\n0.503457 0.776380 0.539826 H\n0.893881 0.105180 0.838751 H\n0.606119 0.105180 0.338751 H\n0.106119 0.894820 0.161249 H\n0.393881 0.894820 0.661249 H\n0.750334 0.043897 0.877135 H\n0.749666 0.043897 0.377135 H\n0.249666 0.956103 0.122865 H\n0.250334 0.956103 0.622865 H\n0.500000 0.500000 0.000000 Pd\n0.000000 0.500000 0.500000 Pd\n0.680047 0.429559 0.795347 C\n0.819953 0.429559 0.295347 C\n0.319953 0.570441 0.204653 C\n0.180047 0.570441 0.704653 C\n0.804650 0.566095 0.931662 C\n0.695350 0.566095 0.431662 C\n0.195350 0.433905 0.068338 C\n0.304650 0.433905 0.568338 C\n0.735576 0.140883 0.052040 C\n0.764424 0.140883 0.552040 C\n0.264424 0.859117 0.947960 C\n0.235576 0.859117 0.447960 C\n0.876946 0.510797 0.767128 C\n0.623054 0.510797 0.267128 C\n0.123054 0.489203 0.232872 C\n0.376946 0.489203 0.732872 C\n0.924396 0.265990 0.985998 C\n0.575604 0.265990 0.485998 C\n0.075604 0.734010 0.014002 C\n0.424396 0.734010 0.514002 C\n0.818349 0.149169 0.869755 C\n0.681651 0.149169 0.369755 C\n0.181651 0.850831 0.130245 C\n0.318349 0.850831 0.630245 C\n0.454177 0.119592 0.140642 Br\n0.045823 0.119592 0.640642 Br\n0.545823 0.880408 0.859358 Br\n0.954177 0.880408 0.359358 Br\n0.789213 0.369206 0.771387 N\n0.710787 0.369206 0.271387 N\n0.210787 0.630794 0.228613 N\n0.289213 0.630794 0.728613 N\n0.898195 0.488934 0.890764 N\n0.601805 0.488934 0.390764 N\n0.101805 0.511066 0.109236 N\n0.398195 0.511066 0.609236 N\n0.838155 0.117295 0.996251 N\n0.661845 0.117295 0.496251 N\n0.161845 0.882705 0.003749 N\n0.338155 0.882705 0.503749 N\n",
"nsites": 94,
"nelements": 6,
"elements": [
"P",
"H",
"Pd",
"C",
"Br",
"N"
],
"chemical_system": "Br-C-H-N-P-Pd",
"density": 2.051264908556076,
"density_atomic": 0.1000097494473183,
"volume": 939.9083641291988,
"volume_molar": 6.0215536917950745,
"formula_full": "P4 H48 Pd2 C24 Br4 N12",
"formula_reduced": "P2H24PdC12(BrN3)2",
"formula_anonymous": "AB2C2D6E12F24",
"energy": -537.8797221599999,
"energy_per_atom": -5.722124703829786,
"energy_above_hull": null,
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"energy_uncorrected": -531.41172216,
"band_gap": 1.5577,
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"total_magnetization": 0.0031034,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:36.647000Z",
"spacegroup": 14
},
{
"id": "mp-720809",
"created_at": "2022-09-04T14:47:04.379012Z",
"structure_string": "Co2 Mo16 H72 C16 N4 O64\n1.0\n6.933400 8.142921 0.000000\n-6.933400 8.142921 0.000000\n0.000000 2.010968 16.903844\nCo Mo H C N O\n2 16 72 16 4 64\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.588205 0.910531 0.922207 Mo\n0.089469 0.411795 0.577793 Mo\n0.411795 0.089469 0.077793 Mo\n0.910531 0.588205 0.422207 Mo\n0.460005 0.746558 0.069864 Mo\n0.253442 0.539995 0.430136 Mo\n0.539995 0.253442 0.930136 Mo\n0.746558 0.460005 0.569864 Mo\n0.753955 0.034889 0.036805 Mo\n0.965111 0.246045 0.463195 Mo\n0.246045 0.965111 0.963195 Mo\n0.034889 0.753955 0.536805 Mo\n0.623474 0.874593 0.189713 Mo\n0.125407 0.376526 0.310287 Mo\n0.376526 0.125407 0.810287 Mo\n0.874593 0.623474 0.689713 Mo\n0.884926 0.642129 0.127661 H\n0.357871 0.115074 0.372339 H\n0.115074 0.357871 0.872339 H\n0.642129 0.884926 0.627661 H\n0.003175 0.540352 0.152091 H\n0.459648 0.996825 0.347909 H\n0.996825 0.459648 0.847909 H\n0.540352 0.003175 0.652091 H\n0.108701 0.298392 0.083078 H\n0.701608 0.891299 0.416922 H\n0.891299 0.701608 0.916922 H\n0.298392 0.108701 0.583078 H\n0.013084 0.248778 0.033056 H\n0.751222 0.986916 0.466944 H\n0.986916 0.751222 0.966944 H\n0.248778 0.013084 0.533056 H\n0.265380 0.447919 0.989620 H\n0.552081 0.734620 0.510380 H\n0.734620 0.552081 0.010380 H\n0.447919 0.265380 0.489620 H\n0.225946 0.568111 0.039182 H\n0.431889 0.774054 0.460818 H\n0.774054 0.431889 0.960818 H\n0.568111 0.225946 0.539182 H\n0.828323 0.354667 0.224845 H\n0.645333 0.171677 0.275155 H\n0.171677 0.645333 0.775155 H\n0.354667 0.828323 0.724845 H\n0.736181 0.445640 0.150225 H\n0.554360 0.263819 0.349775 H\n0.263819 0.554360 0.849775 H\n0.445640 0.736181 0.650225 H\n0.747491 0.276778 0.159403 H\n0.723222 0.252509 0.340597 H\n0.252509 0.723222 0.840597 H\n0.276778 0.747491 0.659403 H\n0.428307 0.386870 0.248962 H\n0.613130 0.571693 0.251038 H\n0.571693 0.613130 0.751038 H\n0.386870 0.428307 0.748962 H\n0.518509 0.291882 0.175522 H\n0.708118 0.481491 0.324478 H\n0.481491 0.708118 0.824478 H\n0.291882 0.518509 0.675522 H\n0.506132 0.461346 0.163034 H\n0.538654 0.493868 0.336966 H\n0.493868 0.538654 0.836966 H\n0.461346 0.506132 0.663034 H\n0.814206 0.148418 0.664356 H\n0.851582 0.185794 0.835644 H\n0.185794 0.851582 0.335644 H\n0.148418 0.814206 0.164356 H\n0.739644 0.074614 0.751441 H\n0.925386 0.260356 0.748559 H\n0.260356 0.925386 0.248559 H\n0.074614 0.739644 0.251441 H\n0.827654 0.978609 0.677516 H\n0.021391 0.172346 0.822484 H\n0.172346 0.021391 0.322484 H\n0.978609 0.827654 0.177516 H\n0.038469 0.943640 0.839277 H\n0.056360 0.961531 0.660723 H\n0.961531 0.056360 0.160723 H\n0.943640 0.038469 0.339277 H\n0.956454 0.861029 0.777444 H\n0.138971 0.043546 0.722556 H\n0.043546 0.138971 0.222556 H\n0.861029 0.956454 0.277444 H\n0.868907 0.956372 0.851714 H\n0.043628 0.131093 0.648286 H\n0.131093 0.043628 0.148286 H\n0.956372 0.868907 0.351714 H\n0.743781 0.361246 0.191952 C\n0.638754 0.256219 0.308048 C\n0.256219 0.638754 0.808048 C\n0.361246 0.743781 0.691952 C\n0.511425 0.378681 0.206205 C\n0.621319 0.488575 0.293795 C\n0.488575 0.621319 0.793795 C\n0.378681 0.511425 0.706205 C\n0.821483 0.065924 0.707654 C\n0.934076 0.178517 0.792346 C\n0.178517 0.934076 0.292346 C\n0.065924 0.821483 0.207654 C\n0.951896 0.946624 0.808972 C\n0.053376 0.048104 0.691028 C\n0.048104 0.053376 0.191028 C\n0.946624 0.951896 0.308972 C\n0.628646 0.371354 0.250000 N\n0.371354 0.628646 0.750000 N\n0.940015 0.059985 0.750000 N\n0.059985 0.940015 0.250000 N\n0.965565 0.592714 0.107350 O\n0.407286 0.034435 0.392650 O\n0.034435 0.407286 0.892650 O\n0.592714 0.965565 0.607350 O\n0.328690 0.668320 0.086087 O\n0.331680 0.671310 0.413913 O\n0.671310 0.331680 0.913913 O\n0.668320 0.328690 0.586087 O\n0.023161 0.319824 0.063772 O\n0.680176 0.976839 0.436228 O\n0.976839 0.680176 0.936228 O\n0.319824 0.023161 0.563772 O\n0.538809 0.959582 0.825168 O\n0.040418 0.461191 0.674832 O\n0.461191 0.040418 0.174832 O\n0.959582 0.538809 0.325168 O\n0.191867 0.508142 0.009356 O\n0.491858 0.808133 0.490644 O\n0.808133 0.491858 0.990644 O\n0.508142 0.191867 0.509356 O\n0.872468 0.907429 0.020934 O\n0.092571 0.127532 0.479066 O\n0.127532 0.092571 0.979066 O\n0.907429 0.872468 0.520934 O\n0.605979 0.888958 0.290834 O\n0.111042 0.394021 0.209166 O\n0.394021 0.111042 0.709166 O\n0.888958 0.605979 0.790834 O\n0.830704 0.166282 0.030800 O\n0.833718 0.169296 0.469200 O\n0.169296 0.833718 0.969200 O\n0.166282 0.830704 0.530800 O\n0.590232 0.628512 0.054884 O\n0.371488 0.409768 0.445116 O\n0.409768 0.371488 0.945116 O\n0.628512 0.590232 0.554884 O\n0.418704 0.081202 0.951714 O\n0.918798 0.581296 0.548286 O\n0.581296 0.918798 0.048286 O\n0.081202 0.418704 0.451714 O\n0.715711 0.013376 0.149917 O\n0.986624 0.284289 0.350083 O\n0.284289 0.986624 0.850083 O\n0.013376 0.715711 0.649917 O\n0.682467 0.053741 0.930103 O\n0.946259 0.317533 0.569897 O\n0.317533 0.946259 0.069897 O\n0.053741 0.682467 0.430103 O\n0.446170 0.816531 0.957699 O\n0.183469 0.553830 0.542301 O\n0.553830 0.183469 0.042301 O\n0.816531 0.446170 0.457699 O\n0.747461 0.749284 0.173590 O\n0.250716 0.252539 0.326410 O\n0.252539 0.250716 0.826410 O\n0.749284 0.747461 0.673590 O\n0.482546 0.786213 0.174450 O\n0.213787 0.517454 0.325550 O\n0.517454 0.213787 0.825550 O\n0.786213 0.482546 0.674450 O\n0.712867 0.788281 0.909386 O\n0.211719 0.287133 0.590614 O\n0.287133 0.211719 0.090614 O\n0.788281 0.712867 0.409386 O\n",
"nsites": 174,
"nelements": 6,
"elements": [
"Co",
"Mo",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-Co-H-Mo-N-O",
"density": 2.607872086335122,
"density_atomic": 0.09116062602902027,
"volume": 1908.718792086931,
"volume_molar": 6.606076573106133,
"formula_full": "Co2 Mo16 H72 C16 N4 O64",
"formula_reduced": "CoMo8H36C8(NO16)2",
"formula_anonymous": "AB2C8D8E32F36",
"energy": -1120.78498769,
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"updated_at": "2021-11-28T01:37:56.719000Z",
"spacegroup": 15
},
{
"id": "mp-1234742",
"created_at": "2022-09-04T14:48:17.956613Z",
"structure_string": "Mg1 Al2 H4 Pb2 O4 F6\n1.0\n7.282251 -0.175067 -2.252633\n-2.383769 6.792517 -0.072249\n-0.256200 -0.056807 5.141540\nMg Al H Pb O F\n1 2 4 2 4 6\ndirect\n0.563186 0.113537 0.150355 Mg\n0.194603 0.688713 0.165266 Al\n0.823492 0.337834 0.833617 Al\n0.158219 0.434864 0.766522 H\n0.870376 0.538108 0.283880 H\n0.135871 0.866062 0.743842 H\n0.929272 0.155383 0.238135 H\n0.750197 0.792725 0.787511 Pb\n0.270778 0.207632 0.329918 Pb\n0.102941 0.446260 0.908921 O\n0.911351 0.557476 0.120871 O\n0.093291 0.854048 0.905322 O\n0.809871 0.132499 0.062393 O\n0.232294 0.864145 0.453229 F\n0.747661 0.135620 0.550774 F\n0.328233 0.572006 0.440928 F\n0.770829 0.493782 0.555460 F\n0.437965 0.819226 0.120642 F\n0.557070 0.277118 0.819915 F\n",
"nsites": 19,
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"elements": [
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"H",
"Pb",
"O",
"F"
],
"chemical_system": "Al-F-H-Mg-O-Pb",
"density": 4.518955342803404,
"density_atomic": 0.0766372053923472,
"volume": 247.92135755379846,
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"formula_full": "Mg1 Al2 H4 Pb2 O4 F6",
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"energy": -106.89824348,
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"spacegroup": 1
},
{
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H\n0.730868 0.386043 0.651759 H\n0.266170 0.865049 0.950542 H\n0.895568 0.475691 0.850386 H\n0.898178 0.414606 0.534238 H\n0.877148 0.010338 0.845713 H\n0.391751 0.375503 0.055118 H\n0.351734 0.648461 0.434856 H\n0.727448 0.120357 0.061260 H\n0.127176 0.012436 0.560711 H\n0.203190 0.626425 0.563560 H\n0.122852 0.510338 0.154287 H\n0.851734 0.648461 0.565144 H\n0.269132 0.886043 0.348241 H\n0.766170 0.865049 0.049458 H\n0.622852 0.510338 0.845713 H\n0.233830 0.365049 0.950542 H\n0.402290 0.972520 0.355430 H\n0.126136 0.485359 0.738526 H\n0.613601 0.015597 0.063651 H\n0.714594 0.888283 0.444746 H\n0.108249 0.875503 0.055118 H\n0.588514 0.616968 0.526636 H\n0.648266 0.148461 0.565144 H\n0.873864 0.985359 0.261474 H\n0.373864 0.985359 0.738526 H\n0.620357 0.620364 0.930757 H\n0.597710 0.472520 0.644570 H\n0.737728 0.615589 0.842366 H\n0.885770 0.882621 0.964702 H\n0.902290 0.972520 0.644570 H\n0.377148 0.010338 0.154287 H\n0.355747 0.549566 0.340076 H\n0.252950 0.418118 0.754545 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H\n0.247050 0.918118 0.754545 H\n0.796810 0.126425 0.436440 H\n0.296810 0.126425 0.563560 H\n0.886399 0.515597 0.063651 H\n0.644253 0.049566 0.659924 H\n0.372824 0.512436 0.560711 H\n0.608017 0.121142 0.973865 H\n0.227448 0.120357 0.938740 H\n0.411486 0.116968 0.473364 H\n0.214594 0.888283 0.555254 H\n0.891751 0.375503 0.944882 H\n0.721106 0.870799 0.853284 H\n0.262272 0.115589 0.157634 H\n0.872824 0.512436 0.439289 H\n0.114230 0.382621 0.035298 H\n0.879643 0.120364 0.930757 H\n0.769132 0.886043 0.651759 H\n0.391983 0.621142 0.026135 H\n0.778894 0.370799 0.853284 H\n0.167460 0.428272 0.395860 C\n0.832531 0.569471 0.017510 C\n0.151147 0.570380 0.518394 C\n0.667469 0.069471 0.017510 C\n0.830891 0.451881 0.486737 C\n0.162713 0.924830 0.104327 C\n0.297397 0.592982 0.390695 C\n0.178740 0.566288 0.111557 C\n0.167469 0.069471 0.982490 C\n0.169109 0.951881 0.513263 C\n0.332540 0.928272 0.395860 C\n0.323350 0.925227 0.987219 C\n0.702603 0.092982 0.609305 C\n0.832540 0.928272 0.604140 C\n0.678740 0.566288 0.888443 C\n0.651147 0.570380 0.481606 C\n0.848853 0.070380 0.481606 C\n0.321260 0.066288 0.111557 C\n0.332531 0.569471 0.982490 C\n0.823350 0.925227 0.012781 C\n0.662713 0.924830 0.895673 C\n0.669109 0.951881 0.486737 C\n0.330891 0.451881 0.513263 C\n0.202603 0.092982 0.390695 C\n0.348853 0.070380 0.518394 C\n0.337287 0.424830 0.104327 C\n0.676650 0.425227 0.012781 C\n0.176650 0.425227 0.987219 C\n0.797397 0.592982 0.609305 C\n0.837287 0.424830 0.895673 C\n0.667460 0.428272 0.604140 C\n0.821260 0.066288 0.888443 C\n0.743483 0.998017 0.953621 N\n0.256517 0.498017 0.046379 N\n0.737174 0.510264 0.545763 N\n0.243483 0.998017 0.046379 N\n0.262826 0.010264 0.454237 N\n0.762826 0.010264 0.545763 N\n0.237174 0.510264 0.454237 N\n0.756517 0.498017 0.953621 N\n0.971145 0.609493 0.291788 O\n0.391759 0.769226 0.197495 O\n0.442392 0.318592 0.307132 O\n0.557608 0.818592 0.692868 O\n0.102481 0.887623 0.797335 O\n0.830005 0.914682 0.273139 O\n0.528855 0.109493 0.291788 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F\n0.562028 0.257199 0.144419 F\n0.937972 0.757199 0.144419 F\n0.538335 0.586062 0.237624 F\n0.042852 0.755744 0.645530 F\n",
"nsites": 196,
"nelements": 6,
"elements": [
"Mo",
"H",
"C",
"N",
"O",
"F"
],
"chemical_system": "C-F-H-Mo-N-O",
"density": 1.8913947515491305,
"density_atomic": 0.10409367361987978,
"volume": 1882.9194242460471,
"volume_molar": 5.7853090880346185,
"formula_full": "Mo8 H104 C32 N8 O20 F24",
"formula_reduced": "Mo2H26C8N2O5F6",
"formula_anonymous": "A2B2C5D6E8F26",
"energy": -1111.35157296,
"energy_per_atom": -5.670161086530613,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1058.01957296,
"band_gap": 3.8239,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014768,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:44.549000Z",
"spacegroup": 29
}
]
}