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{
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"structure_string": "Mg24 H48 C56 N4 O96\n1.0\n-10.262557 0.000000 -0.000000\n0.000000 0.000000 -18.629888\n0.000000 -18.966953 0.000000\nMg H C N O\n24 48 56 4 96\ndirect\n0.424827 0.441040 0.178306 Mg\n0.075173 0.941040 0.321694 Mg\n0.924827 0.558960 0.321694 Mg\n0.575173 0.058960 0.178306 Mg\n0.575173 0.558960 0.821694 Mg\n0.924827 0.058960 0.678306 Mg\n0.075173 0.441040 0.678306 Mg\n0.424827 0.941040 0.821694 Mg\n0.119276 0.466721 0.218892 Mg\n0.380724 0.966721 0.281108 Mg\n0.619276 0.533279 0.281108 Mg\n0.880724 0.033279 0.218892 Mg\n0.880724 0.533279 0.781108 Mg\n0.619276 0.033279 0.718892 Mg\n0.380724 0.466721 0.718892 Mg\n0.119276 0.966721 0.781108 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 -0.000000 0.500000 Mg\n0.000000 0.500000 0.500000 Mg\n0.500000 -0.000000 -0.000000 Mg\n0.500000 0.250000 0.183759 Mg\n0.000000 0.750000 0.316241 Mg\n0.500000 0.750000 0.816241 Mg\n0.000000 0.250000 0.683759 Mg\n0.262585 0.505091 0.364409 H\n0.237415 0.005091 0.135591 H\n0.762585 0.494909 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"nsites": 228,
"nelements": 5,
"elements": [
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"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-Mg-N-O",
"density": 1.326247801520272,
"density_atomic": 0.0628740524025368,
"volume": 3626.297197137572,
"volume_molar": 9.578101824015757,
"formula_full": "Mg24 H48 C56 N4 O96",
"formula_reduced": "Mg6H12C14NO24",
"formula_anonymous": "AB6C12D14E24",
"energy": -1558.90344133,
"energy_per_atom": -6.837295795307018,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1492.95144133,
"band_gap": 0.4621000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000001,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:27.005000Z",
"spacegroup": 60
},
{
"id": "mp-1202100",
"created_at": "2022-09-04T14:44:40.960869Z",
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"created_at": "2022-09-04T14:39:19.652818Z",
"structure_string": "Mn56 Pb24 O120\n1.0\n0.000000 0.000000 10.279888\n13.935337 0.000000 0.000000\n0.000000 17.764796 0.000000\nMn Pb O\n56 24 120\ndirect\n0.244008 0.496662 0.083047 Mn\n0.255992 0.996662 0.416953 Mn\n0.755992 0.503338 0.583047 Mn\n0.744008 0.003338 0.916953 Mn\n0.755992 0.503338 0.916953 Mn\n0.744008 0.003338 0.583047 Mn\n0.244008 0.496662 0.416953 Mn\n0.255992 0.996662 0.083047 Mn\n0.508096 0.991417 0.333778 Mn\n0.991904 0.491417 0.166222 Mn\n0.491904 0.008583 0.833778 Mn\n0.008096 0.508583 0.666222 Mn\n0.491904 0.008583 0.666222 Mn\n0.008096 0.508583 0.833778 Mn\n0.508096 0.991417 0.166222 Mn\n0.991904 0.491417 0.333778 Mn\n0.493824 0.493198 0.167198 Mn\n0.006176 0.993198 0.332802 Mn\n0.506176 0.506802 0.667198 Mn\n0.993824 0.006802 0.832802 Mn\n0.506176 0.506802 0.832802 Mn\n0.993824 0.006802 0.667198 Mn\n0.493824 0.493198 0.332802 Mn\n0.006176 0.993198 0.167198 Mn\n0.747611 0.143063 0.417194 Mn\n0.752389 0.643063 0.082806 Mn\n0.252389 0.856937 0.917194 Mn\n0.247611 0.356937 0.582806 Mn\n0.252389 0.856937 0.582806 Mn\n0.247611 0.356937 0.917194 Mn\n0.747611 0.143063 0.082806 Mn\n0.752389 0.643063 0.417194 Mn\n0.744263 0.350486 0.082369 Mn\n0.755737 0.850486 0.417631 Mn\n0.255737 0.649514 0.582369 Mn\n0.244263 0.149514 0.917631 Mn\n0.255737 0.649514 0.917631 Mn\n0.244263 0.149514 0.582369 Mn\n0.744263 0.350486 0.417631 Mn\n0.755737 0.850486 0.082369 Mn\n0.740265 0.490571 0.250000 Mn\n0.759735 0.990571 0.250000 Mn\n0.259735 0.509429 0.750000 Mn\n0.240265 0.009429 0.750000 Mn\n0.500000 0.500000 -0.000000 Mn\n-0.000000 -0.000000 0.500000 Mn\n0.500000 0.500000 0.500000 Mn\n-0.000000 -0.000000 -0.000000 Mn\n-0.000000 0.500000 -0.000000 Mn\n0.500000 -0.000000 0.500000 Mn\n-0.000000 0.500000 0.500000 Mn\n0.500000 -0.000000 -0.000000 Mn\n0.243696 0.491782 0.250000 Mn\n0.256304 0.991782 0.250000 Mn\n0.756304 0.508218 0.750000 Mn\n0.743696 0.008218 0.750000 Mn\n0.644344 0.739517 0.250000 Pb\n0.855656 0.239517 0.250000 Pb\n0.355656 0.260483 0.750000 Pb\n0.144344 0.760483 0.750000 Pb\n0.059276 0.752126 0.055384 Pb\n0.440724 0.252126 0.444616 Pb\n0.940724 0.247874 0.555384 Pb\n0.559276 0.747874 0.944616 Pb\n0.940724 0.247874 0.944616 Pb\n0.559276 0.747874 0.555384 Pb\n0.059276 0.752126 0.444616 Pb\n0.440724 0.252126 0.055384 Pb\n0.984754 0.732578 0.250000 Pb\n0.515246 0.232578 0.250000 Pb\n0.015246 0.267422 0.750000 Pb\n0.484754 0.767422 0.750000 Pb\n0.391058 0.742606 0.115741 Pb\n0.108942 0.242606 0.384259 Pb\n0.608942 0.257394 0.615741 Pb\n0.891058 0.757394 0.884259 Pb\n0.608942 0.257394 0.884259 Pb\n0.891058 0.757394 0.615741 Pb\n0.391058 0.742606 0.384259 Pb\n0.108942 0.242606 0.115741 Pb\n0.827431 0.079882 0.506139 O\n0.672569 0.579882 0.993861 O\n0.172569 0.920118 0.006139 O\n0.327431 0.420118 0.493861 O\n0.172569 0.920118 0.493861 O\n0.327431 0.420118 0.006139 O\n0.827431 0.079882 0.993861 O\n0.672569 0.579882 0.506139 O\n0.841498 0.423249 0.990184 O\n0.658502 0.923249 0.509816 O\n0.158502 0.576751 0.490184 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O\n0.166859 0.586431 0.829998 O\n0.333141 0.086431 0.670002 O\n0.833141 0.413569 0.329998 O\n0.666859 0.913569 0.170002 O\n0.846199 0.757043 0.009780 O\n0.653801 0.257043 0.490220 O\n0.153801 0.242957 0.509780 O\n0.346199 0.742957 0.990220 O\n0.153801 0.242957 0.990220 O\n0.346199 0.742957 0.509780 O\n0.846199 0.757043 0.490220 O\n0.653801 0.257043 0.009780 O\n0.817202 0.734905 0.163482 O\n0.682798 0.234905 0.336518 O\n0.182798 0.265095 0.663482 O\n0.317202 0.765095 0.836518 O\n0.182798 0.265095 0.836518 O\n0.317202 0.765095 0.663482 O\n0.817202 0.734905 0.336518 O\n0.682798 0.234905 0.163482 O\n0.605293 0.743824 0.074259 O\n0.894707 0.243824 0.425741 O\n0.394707 0.256176 0.574259 O\n0.105293 0.756176 0.925741 O\n0.394707 0.256176 0.925741 O\n0.105293 0.756176 0.574259 O\n0.605293 0.743824 0.425741 O\n0.894707 0.243824 0.074259 O\n0.407629 0.563944 0.250000 O\n0.092371 0.063944 0.250000 O\n0.592371 0.436056 0.750000 O\n0.907629 0.936056 0.750000 O\n0.417203 0.918182 0.250000 O\n0.082797 0.418182 0.250000 O\n0.582797 0.081818 0.750000 O\n0.917203 0.581818 0.750000 O\n0.825034 0.077434 0.666189 O\n0.674966 0.577434 0.833811 O\n0.174966 0.922566 0.166189 O\n0.325034 0.422566 0.333811 O\n0.174966 0.922566 0.333811 O\n0.325034 0.422566 0.166189 O\n0.825034 0.077434 0.833811 O\n0.674966 0.577434 0.666189 O\n0.837944 0.435980 0.831021 O\n0.662056 0.935980 0.668979 O\n0.162056 0.564020 0.331021 O\n0.337944 0.064020 0.168979 O\n0.162056 0.564020 0.168979 O\n0.337944 0.064020 0.331021 O\n0.837944 0.435980 0.668979 O\n0.662056 0.935980 0.831021 O\n0.938615 0.914925 0.250000 O\n0.561385 0.414925 0.250000 O\n0.061385 0.085075 0.750000 O\n0.438615 0.585075 0.750000 O\n0.920572 0.562965 0.250000 O\n0.579428 0.062965 0.250000 O\n0.079428 0.437035 0.750000 O\n0.420572 0.937035 0.750000 O\n0.592719 0.430409 0.589023 O\n0.907281 0.930409 0.910977 O\n0.407281 0.569591 0.089023 O\n0.092719 0.069591 0.410977 O\n0.407281 0.569591 0.410977 O\n0.092719 0.069591 0.089023 O\n0.592719 0.430409 0.910977 O\n0.907281 0.930409 0.589023 O\n0.578238 0.076568 0.917631 O\n0.921762 0.576568 0.582369 O\n0.421762 0.923432 0.417631 O\n0.078238 0.423432 0.082369 O\n0.421762 0.923432 0.082369 O\n0.078238 0.423432 0.417631 O\n0.578238 0.076568 0.582369 O\n0.921762 0.576568 0.917631 O\n",
"nsites": 200,
"nelements": 3,
"elements": [
"Mn",
"Pb",
"O"
],
"chemical_system": "Mn-O-Pb",
"density": 6.50497859955559,
"density_atomic": 0.07858938897463581,
"volume": 2544.872820738543,
"volume_molar": 7.662791171392877,
"formula_full": "Mn56 Pb24 O120",
"formula_reduced": "Mn7(PbO5)3",
"formula_anonymous": "A3B7C15",
"energy": -1560.87446866,
"energy_per_atom": -7.8043723433,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -1385.02646866,
"band_gap": 0.0435999999999996,
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"total_magnetization": 200.0000012,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.832000Z",
"spacegroup": 62
},
{
"id": "mp-651750",
"created_at": "2022-09-04T14:40:32.011224Z",
"structure_string": "In8 Re16 C80 Br8 O80\n1.0\n13.256727 0.000000 0.000000\n0.000000 10.757266 0.000000\n0.000000 3.330426 25.552708\nIn Re C Br O\n8 16 80 8 80\ndirect\n0.293636 0.490456 0.268385 In\n0.780053 0.929913 0.390545 In\n0.719947 0.429913 0.890545 In\n0.706364 0.509544 0.731615 In\n0.793636 0.009544 0.231615 In\n0.206364 0.990456 0.768385 In\n0.219947 0.070087 0.609455 In\n0.280053 0.570087 0.109455 In\n0.166943 0.321329 0.567635 Re\n0.859236 0.811433 0.175126 Re\n0.209837 0.368545 0.057483 Re\n0.359236 0.688567 0.324874 Re\n0.790163 0.631455 0.942517 Re\n0.833057 0.678671 0.432365 Re\n0.333057 0.821329 0.067635 Re\n0.236048 0.244383 0.315609 Re\n0.290163 0.868545 0.557483 Re\n0.736048 0.255617 0.184391 Re\n0.666943 0.178671 0.932365 Re\n0.263952 0.744383 0.815609 Re\n0.140764 0.188567 0.824874 Re\n0.640764 0.311433 0.675126 Re\n0.763952 0.755617 0.684391 Re\n0.709837 0.131455 0.442517 Re\n0.342331 0.715157 0.751993 C\n0.339994 0.734514 0.519706 C\n0.800929 0.914895 0.643568 C\n0.359194 0.749963 0.001087 C\n0.818076 0.207588 0.125106 C\n0.588333 0.131247 0.396298 C\n0.294894 0.866430 0.138197 C\n0.842331 0.784843 0.748007 C\n0.029007 0.269323 0.594237 C\n0.838957 0.114391 0.482786 C\n0.780888 0.245353 0.386327 C\n0.660006 0.265486 0.480294 C\n0.719112 0.745353 0.886327 C\n0.681924 0.707588 0.625106 C\n0.724867 0.400904 0.617945 C\n0.640806 0.250037 0.998913 C\n0.650050 0.992918 0.491958 C\n0.661043 0.614391 0.982786 C\n0.375268 0.989839 0.038068 C\n0.882102 0.661135 0.660568 C\n0.857100 0.324158 0.217913 C\n0.970993 0.730677 0.405763 C\n0.205106 0.366430 0.638197 C\n0.117898 0.338865 0.339432 C\n0.024410 0.073256 0.845052 C\n0.403676 0.811911 0.369436 C\n0.875268 0.510161 0.461932 C\n0.699071 0.414895 0.143568 C\n0.529007 0.230677 0.905763 C\n0.811444 0.152892 0.954027 C\n0.903676 0.688089 0.130564 C\n0.567048 0.242730 0.740662 C\n0.140806 0.249963 0.501087 C\n0.911667 0.631247 0.896298 C\n0.161043 0.885609 0.517214 C\n0.219112 0.754647 0.613673 C\n0.859194 0.750037 0.498913 C\n0.705106 0.133570 0.861803 C\n0.280888 0.254647 0.113673 C\n0.738484 0.709654 0.202212 C\n0.642900 0.824158 0.717913 C\n0.975590 0.926744 0.154948 C\n0.181924 0.792412 0.874894 C\n0.160006 0.234514 0.019706 C\n0.596324 0.188089 0.630564 C\n0.624732 0.010161 0.961932 C\n0.411667 0.868753 0.603702 C\n0.096324 0.311911 0.869436 C\n0.657669 0.284843 0.248007 C\n0.142900 0.675842 0.782087 C\n0.432952 0.757270 0.259338 C\n0.761516 0.209654 0.702212 C\n0.188556 0.847108 0.045973 C\n0.067048 0.257270 0.759338 C\n0.124732 0.489839 0.538068 C\n0.475590 0.573256 0.345052 C\n0.794894 0.633570 0.361803 C\n0.199071 0.085105 0.356432 C\n0.261516 0.290346 0.797788 C\n0.617898 0.161135 0.160568 C\n0.470993 0.769323 0.094237 C\n0.775133 0.900904 0.117945 C\n0.150050 0.507082 0.008042 C\n0.157669 0.215157 0.251993 C\n0.839994 0.765486 0.980294 C\n0.688556 0.652892 0.454027 C\n0.932952 0.742730 0.240662 C\n0.300929 0.585105 0.856432 C\n0.238484 0.790346 0.297788 C\n0.849950 0.492918 0.991958 C\n0.318076 0.292412 0.374894 C\n0.224867 0.099096 0.882055 C\n0.275133 0.599096 0.382055 C\n0.349950 0.007082 0.508042 C\n0.088333 0.368753 0.103702 C\n0.382102 0.838865 0.839432 C\n0.524410 0.426744 0.654948 C\n0.311444 0.347108 0.545973 C\n0.357100 0.175842 0.282087 C\n0.338957 0.385609 0.017214 C\n0.347587 0.084948 0.694075 Br\n0.152413 0.584948 0.194075 Br\n0.076682 0.977556 0.684051 Br\n0.652413 0.915052 0.305925 Br\n0.923318 0.022444 0.315949 Br\n0.847587 0.415052 0.805925 Br\n0.576682 0.522444 0.815949 Br\n0.423318 0.477556 0.184051 Br\n0.049503 0.395386 0.352290 O\n0.116465 0.589027 0.979492 O\n0.866758 0.847086 0.002692 O\n0.018880 0.365205 0.130864 O\n0.366758 0.652914 0.497308 O\n0.413971 0.400104 0.993803 O\n0.981120 0.634795 0.869136 O\n0.586029 0.599896 0.006197 O\n0.043252 0.992161 0.141868 O\n0.229486 0.396024 0.678028 O\n0.872869 0.790530 0.537847 O\n0.127131 0.209470 0.462153 O\n0.637475 0.675714 0.590366 O\n0.973724 0.702579 0.279057 O\n0.322580 0.189138 0.146181 O\n0.725834 0.954063 0.084839 O\n0.481120 0.865205 0.630864 O\n0.551290 0.742778 0.109158 O\n0.927952 0.616278 0.102819 O\n0.774166 0.454063 0.584839 O\n0.321577 0.492982 0.883247 O\n0.822580 0.310862 0.353819 O\n0.424418 0.133252 0.261649 O\n0.603561 0.645696 0.465103 O\n0.427952 0.883722 0.397181 O\n0.829442 0.149670 0.719184 O\n0.575582 0.866748 0.738351 O\n0.600293 0.910072 0.980290 O\n0.178423 0.992982 0.383247 O\n0.133242 0.152914 0.997308 O\n0.770514 0.603976 0.321972 O\n0.383535 0.089027 0.479492 O\n0.677420 0.810862 0.853819 O\n0.821577 0.007018 0.616753 O\n0.329442 0.350330 0.780816 O\n0.549503 0.104614 0.147710 O\n0.678423 0.507018 0.116753 O\n0.883535 0.410973 0.020508 O\n0.386676 0.694166 0.715209 O\n0.543252 0.507839 0.358132 O\n0.518880 0.134795 0.369136 O\n0.729486 0.103976 0.821972 O\n0.448710 0.257222 0.890842 O\n0.051290 0.757222 0.390842 O\n0.075582 0.633252 0.761649 O\n0.100293 0.589928 0.519710 O\n0.086029 0.900104 0.493803 O\n0.896439 0.145696 0.965103 O\n0.886676 0.805834 0.784791 O\n0.270514 0.896024 0.178028 O\n0.473724 0.797421 0.220943 O\n0.899707 0.410072 0.480290 O\n0.399707 0.089928 0.019710 O\n0.913971 0.099896 0.506197 O\n0.633242 0.347086 0.502692 O\n0.924418 0.366748 0.238351 O\n0.950497 0.604614 0.647710 O\n0.137475 0.824286 0.909634 O\n0.956748 0.007839 0.858132 O\n0.396439 0.354304 0.534897 O\n0.372869 0.709470 0.962153 O\n0.456748 0.492161 0.641868 O\n0.103561 0.854304 0.034897 O\n0.616465 0.910973 0.520508 O\n0.170558 0.850330 0.280816 O\n0.225834 0.545937 0.415161 O\n0.274166 0.045937 0.915161 O\n0.862525 0.175714 0.090366 O\n0.572048 0.116278 0.602819 O\n0.026276 0.297421 0.720943 O\n0.948710 0.242778 0.609158 O\n0.177420 0.689138 0.646181 O\n0.526276 0.202579 0.779057 O\n0.450497 0.895386 0.852290 O\n0.670558 0.649670 0.219184 O\n0.613324 0.305834 0.284791 O\n0.113324 0.194166 0.215209 O\n0.072048 0.383722 0.897181 O\n0.362525 0.324286 0.409634 O\n0.627131 0.290530 0.037847 O\n",
"nsites": 192,
"nelements": 5,
"elements": [
"In",
"Re",
"C",
"Br",
"O"
],
"chemical_system": "Br-C-In-O-Re",
"density": 3.0886510513382635,
"density_atomic": 0.05268974248133792,
"volume": 3643.9730193785654,
"volume_molar": 11.429436691843714,
"formula_full": "In8 Re16 C80 Br8 O80",
"formula_reduced": "InRe2C10BrO10",
"formula_anonymous": "ABC2D10E10",
"energy": -1564.7735754600003,
"energy_per_atom": -8.149862372187501,
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"band_gap": 3.2816,
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"is_magnetic": false,
"total_magnetization": 9.27e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:06.121000Z",
"spacegroup": 14
},
{
"id": "mp-651806",
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},
{
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{
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0.254879 Na\n0.476025 0.472198 0.731312 P\n0.976025 0.527802 0.768688 P\n0.023975 0.972198 0.268688 P\n0.523975 0.027802 0.231312 P\n0.493098 0.276568 0.778116 P\n0.993098 0.723432 0.721884 P\n0.006902 0.776568 0.221884 P\n0.506902 0.223432 0.278116 P\n0.475020 0.259755 0.975904 P\n0.975020 0.740245 0.524096 P\n0.024980 0.759755 0.024096 P\n0.524980 0.240245 0.475904 P\n0.276979 0.272423 0.016024 P\n0.776979 0.727577 0.483976 P\n0.223021 0.772423 0.983976 P\n0.723021 0.227577 0.516024 P\n0.267708 0.472206 0.027409 P\n0.767708 0.527794 0.472591 P\n0.232292 0.972206 0.972591 P\n0.732292 0.027793 0.527409 P\n0.226282 0.494690 0.221093 P\n0.726282 0.505310 0.278907 P\n0.273718 0.994690 0.778907 P\n0.773718 0.005310 0.721093 P\n0.026619 0.474031 0.232560 P\n0.526619 0.525969 0.267440 P\n0.473381 0.974031 0.767440 P\n0.973381 0.025969 0.732560 P\n0.010399 0.275876 0.275554 P\n0.510399 0.724124 0.224446 P\n0.489601 0.775876 0.724446 P\n0.989601 0.224124 0.775554 P\n0.025755 0.264747 0.474389 P\n0.525755 0.735253 0.025611 P\n0.474245 0.764747 0.525611 P\n0.974245 0.235253 0.974389 P\n0.224189 0.226610 0.489210 P\n0.724189 0.773390 0.010790 P\n0.275811 0.726610 0.510790 P\n0.775811 0.273390 0.989210 P\n0.244304 0.027247 0.473072 P\n0.744304 0.972753 0.026928 P\n0.255696 0.527247 0.526928 P\n0.755696 0.472753 0.973072 P\n0.223684 0.983756 0.278242 P\n0.723684 0.016244 0.221758 P\n0.276316 0.483756 0.721758 P\n0.776316 0.516244 0.778242 P\n0.634647 0.117517 0.876107 Cd\n0.134647 0.882483 0.623893 Cd\n0.865353 0.617517 0.123893 Cd\n0.365353 0.382483 0.376107 Cd\n0.376781 0.625127 0.875181 Cd\n0.876781 0.374873 0.624819 Cd\n0.123219 0.125127 0.124819 Cd\n0.623219 0.874873 0.375181 Cd\n0.627494 0.621048 0.623763 Cd\n0.127494 0.378952 0.876237 Cd\n0.872506 0.121048 0.376237 Cd\n0.372506 0.878952 0.123763 Cd\n0.884515 0.868392 0.870975 Cd\n0.384515 0.131608 0.629025 Cd\n0.615485 0.368392 0.129025 Cd\n0.115485 0.631608 0.370975 Cd\n",
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"elements": [
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"density": 2.9600981846533267,
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"updated_at": "2021-11-28T01:35:41.242000Z",
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},
{
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"created_at": "2022-09-04T14:47:11.142943Z",
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In\n0.185425 0.814575 0.314575 In\n0.314575 0.185425 0.814575 In\n0.685425 0.685425 0.685425 In\n0.185425 0.685425 0.814575 In\n0.814575 0.185425 0.685425 In\n0.685425 0.814575 0.185425 In\n0.314575 0.314575 0.314575 In\n0.000000 0.000000 0.000000 In\n0.500000 0.000000 0.500000 In\n0.500000 0.500000 0.000000 In\n0.000000 0.500000 0.500000 In\n0.159088 0.159088 0.159088 Cs\n0.340912 0.840912 0.659088 Cs\n0.659088 0.340912 0.840912 Cs\n0.840912 0.659088 0.340912 Cs\n0.840912 0.840912 0.840912 Cs\n0.659088 0.159088 0.340912 Cs\n0.340912 0.659088 0.159088 Cs\n0.159088 0.340912 0.659088 Cs\n0.000000 0.500000 0.000000 Cs\n0.000000 0.000000 0.500000 Cs\n0.500000 0.000000 0.000000 Cs\n0.500000 0.500000 0.500000 Cs\n",
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"elements": [
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],
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"density": 3.2029753942522228,
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"volume": 3506.359431448545,
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"formula_full": "Cs12 In12 P48 O144",
"formula_reduced": "CsIn(PO3)4",
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"energy": -1576.14421453,
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"elements": [
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],
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"updated_at": "2021-11-28T01:36:37.918000Z",
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},
{
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},
{
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"created_at": "2022-09-04T14:43:14.995889Z",
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"elements": [
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"updated_at": "2021-11-28T01:36:11.956000Z",
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}
]
}