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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_gap_direct&page=59",
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"results": [
{
"id": "mp-1211099",
"created_at": "2022-09-04T14:46:53.293977Z",
"structure_string": "Mo4 Pb4 O8\n1.0\n-3.371353 3.371353 6.022538\n3.371353 -3.371353 6.022538\n3.371353 3.371353 -6.022538\nMo Pb O\n4 4 8\ndirect\n0.375000 0.125000 0.250000 Mo\n0.875000 0.125000 0.750000 Mo\n0.875000 0.125000 0.250000 Mo\n0.875000 0.625000 0.750000 Mo\n0.875000 0.625000 0.250000 Pb\n0.375000 0.625000 0.750000 Pb\n0.375000 0.625000 0.250000 Pb\n0.375000 0.125000 0.750000 Pb\n0.158046 0.365958 0.207912 O\n0.158046 0.950134 0.792088 O\n0.115958 0.408046 0.707912 O\n0.591954 0.884042 0.292088 O\n0.700134 0.408046 0.292088 O\n0.591954 0.299866 0.707912 O\n0.634042 0.841954 0.792088 O\n0.049866 0.841954 0.207912 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mo",
"Pb",
"O"
],
"chemical_system": "Mo-O-Pb",
"density": 8.129911215035149,
"density_atomic": 0.0584348571041773,
"volume": 273.80917474437047,
"volume_molar": 10.305733698062726,
"formula_full": "Mo4 Pb4 O8",
"formula_reduced": "MoPbO2",
"formula_anonymous": "ABC2",
"energy": -113.9519761,
"energy_per_atom": -7.12199850625,
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"energy_uncorrected": -95.6479761,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 14.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.067000Z",
"spacegroup": 141
},
{
"id": "mp-1206199",
"created_at": "2022-09-04T14:46:53.404179Z",
"structure_string": "K3 Ho1 Cl6\n1.0\n0.000000 5.579876 5.579876\n5.579876 0.000000 5.579876\n5.579876 5.579876 0.000000\nK Ho Cl\n3 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Ho\n0.765196 0.234804 0.234804 Cl\n0.234804 0.765196 0.765196 Cl\n0.234804 0.765196 0.234804 Cl\n0.765196 0.234804 0.765196 Cl\n0.234804 0.234804 0.765196 Cl\n0.765196 0.765196 0.234804 Cl\n",
"nsites": 10,
"nelements": 3,
"elements": [
"K",
"Ho",
"Cl"
],
"chemical_system": "Cl-Ho-K",
"density": 2.365379549595523,
"density_atomic": 0.028780369197525902,
"volume": 347.4590590331846,
"volume_molar": 20.924473618349875,
"formula_full": "K3 Ho1 Cl6",
"formula_reduced": "K3HoCl6",
"formula_anonymous": "AB3C6",
"energy": -43.28057426999999,
"energy_per_atom": -4.328057426999999,
"energy_above_hull": null,
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"energy_uncorrected": -39.59657427,
"band_gap": 4.6877,
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"is_magnetic": false,
"total_magnetization": 0.0002855,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.252000Z",
"spacegroup": 225
},
{
"id": "mp-857356",
"created_at": "2022-09-04T14:46:32.703311Z",
"structure_string": "Li8 Mn8 P8 O32\n1.0\n5.158470 0.000000 0.000000\n0.000000 10.253691 0.000000\n0.000000 0.000000 13.931720\nLi Mn P O\n8 8 8 32\ndirect\n0.928883 0.030602 0.498283 Li\n0.553188 0.222369 0.249333 Li\n0.553188 0.277631 0.749333 Li\n0.928883 0.469398 0.998283 Li\n0.071117 0.530602 0.498283 Li\n0.446812 0.722369 0.249333 Li\n0.446812 0.777631 0.749333 Li\n0.071117 0.969398 0.998283 Li\n0.059198 0.034362 0.247127 Mn\n0.556681 0.216356 0.998722 Mn\n0.556681 0.283644 0.498722 Mn\n0.059198 0.465638 0.747127 Mn\n0.940802 0.534362 0.247127 Mn\n0.443319 0.716356 0.998722 Mn\n0.443319 0.783644 0.498722 Mn\n0.940802 0.965638 0.747127 Mn\n0.434515 0.031646 0.623811 P\n0.053295 0.216293 0.872489 P\n0.053295 0.283707 0.372489 P\n0.434515 0.468354 0.123811 P\n0.565485 0.531646 0.623811 P\n0.946705 0.716293 0.872489 P\n0.946705 0.783707 0.372489 P\n0.565485 0.968354 0.123811 P\n0.861621 0.997943 0.119216 O\n0.564974 0.973594 0.532291 O\n0.454991 0.034669 0.215807 O\n0.996173 0.067106 0.875259 O\n0.489092 0.180593 0.626595 O\n0.931898 0.221232 0.464161 O\n0.931286 0.275858 0.780312 O\n0.349926 0.244225 0.870994 O\n0.349926 0.255775 0.370994 O\n0.931286 0.224142 0.280312 O\n0.931898 0.278768 0.964161 O\n0.489092 0.319407 0.126595 O\n0.996173 0.432894 0.375259 O\n0.454991 0.465331 0.715807 O\n0.564974 0.526406 0.032291 O\n0.861621 0.502057 0.619216 O\n0.138379 0.497943 0.119216 O\n0.435026 0.473594 0.532291 O\n0.545009 0.534669 0.215807 O\n0.003827 0.567106 0.875259 O\n0.510908 0.680593 0.626595 O\n0.068102 0.721232 0.464161 O\n0.068714 0.775858 0.780312 O\n0.650074 0.744225 0.870994 O\n0.650074 0.755775 0.370994 O\n0.068714 0.724142 0.280312 O\n0.068102 0.778768 0.964161 O\n0.510908 0.819407 0.126595 O\n0.003827 0.932894 0.375259 O\n0.545009 0.965331 0.715807 O\n0.435026 0.026406 0.032291 O\n0.138379 0.002057 0.619216 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.827605789500655,
"density_atomic": 0.07599449875086349,
"volume": 736.8954453346361,
"volume_molar": 7.924443030728685,
"formula_full": "Li8 Mn8 P8 O32",
"formula_reduced": "LiMnPO4",
"formula_anonymous": "ABCD4",
"energy": -437.07809417,
"energy_per_atom": -7.804965967321428,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -401.75009417,
"band_gap": 3.5129,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.412000Z",
"spacegroup": 29
},
{
"id": "mp-651347",
"created_at": "2022-09-04T14:46:53.480219Z",
"structure_string": "K24 Mo24 Se112\n1.0\n15.152618 -0.019296 0.000000\n-4.337823 14.518454 0.000000\n0.000000 0.000000 20.849484\nK Mo Se\n24 24 112\ndirect\n0.807554 0.556069 0.619130 K\n0.337697 0.584887 0.329568 K\n0.944233 0.686747 0.122642 K\n0.518485 0.518485 0.094395 K\n0.192446 0.443931 0.119130 K\n0.971031 0.475434 0.339701 K\n0.820289 0.063459 0.360564 K\n0.475434 0.971031 0.339701 K\n0.662303 0.415113 0.829568 K\n0.313253 0.055767 0.622642 K\n0.524566 0.028969 0.839701 K\n0.936541 0.179711 0.860564 K\n0.481515 0.481515 0.594395 K\n0.055767 0.313253 0.622642 K\n0.966425 0.966425 0.634640 K\n0.028969 0.524566 0.839701 K\n0.686747 0.944233 0.122642 K\n0.415113 0.662303 0.829568 K\n0.179711 0.936541 0.860564 K\n0.556069 0.807554 0.619130 K\n0.584887 0.337697 0.329568 K\n0.063459 0.820289 0.360564 K\n0.443931 0.192446 0.119130 K\n0.033575 0.033575 0.134640 K\n0.290553 0.177995 0.391725 Mo\n0.762815 0.255755 0.186526 Mo\n0.751657 0.636826 0.394010 Mo\n0.744245 0.237185 0.686526 Mo\n0.177995 0.290553 0.391725 Mo\n0.237185 0.744245 0.686526 Mo\n0.750226 0.750226 0.289374 Mo\n0.140962 0.767798 0.577371 Mo\n0.351964 0.749142 0.074100 Mo\n0.254796 0.254796 0.277472 Mo\n0.709447 0.822005 0.891725 Mo\n0.859038 0.232202 0.077371 Mo\n0.232202 0.859038 0.077371 Mo\n0.248343 0.363174 0.894010 Mo\n0.250858 0.648036 0.574100 Mo\n0.749142 0.351964 0.074100 Mo\n0.249774 0.249774 0.789374 Mo\n0.745204 0.745204 0.777472 Mo\n0.363174 0.248343 0.894010 Mo\n0.822005 0.709447 0.891725 Mo\n0.767798 0.140962 0.577371 Mo\n0.636826 0.751657 0.394010 Mo\n0.648036 0.250858 0.574100 Mo\n0.255755 0.762815 0.186526 Mo\n0.423822 0.423822 0.905154 Se\n0.190059 0.190059 0.898785 Se\n0.652176 0.652176 0.867272 Se\n0.123675 0.123675 0.725254 Se\n0.347824 0.347824 0.367272 Se\n0.690137 0.172222 0.470294 Se\n0.293478 0.426015 0.779543 Se\n0.379321 0.162549 0.285500 Se\n0.179512 0.446197 0.444828 Se\n0.132992 0.912807 0.510126 Se\n0.812109 0.431757 0.181383 Se\n0.524028 0.748495 0.049569 Se\n0.989173 0.799315 0.530391 Se\n0.738044 0.229913 0.814898 Se\n0.479372 0.479372 0.769024 Se\n0.078763 0.212111 0.296626 Se\n0.034226 0.331710 0.448758 Se\n0.314561 0.821338 0.585530 Se\n0.965774 0.668290 0.948758 Se\n0.649577 0.359139 0.672898 Se\n0.763473 0.763473 0.649010 Se\n0.145600 0.868789 0.681832 Se\n0.005022 0.512690 0.674739 Se\n0.403495 0.922065 0.051349 Se\n0.525661 0.225471 0.934183 Se\n0.573985 0.706522 0.279543 Se\n0.640861 0.350423 0.172898 Se\n0.234671 0.234671 0.497918 Se\n0.799315 0.989173 0.530391 Se\n0.656160 0.872025 0.299754 Se\n0.765329 0.765329 0.997918 Se\n0.010827 0.200685 0.030391 Se\n0.309863 0.827778 0.970294 Se\n0.475972 0.251505 0.549569 Se\n0.359139 0.649577 0.672898 Se\n0.620679 0.837451 0.785500 Se\n0.596505 0.077935 0.551349 Se\n0.343350 0.343350 0.996584 Se\n0.706522 0.573985 0.279543 Se\n0.939163 0.295509 0.183139 Se\n0.261956 0.770087 0.314898 Se\n0.178662 0.685439 0.085530 Se\n0.770087 0.261956 0.314898 Se\n0.087193 0.867008 0.010126 Se\n0.787889 0.921237 0.796626 Se\n0.809941 0.809941 0.398785 Se\n0.343840 0.127975 0.799754 Se\n0.912807 0.132992 0.510126 Se\n0.854400 0.131211 0.181832 Se\n0.060837 0.704491 0.683139 Se\n0.765542 0.765542 0.163337 Se\n0.668290 0.965774 0.948758 Se\n0.970720 0.970720 0.822272 Se\n0.921237 0.787889 0.796626 Se\n0.295509 0.939163 0.183139 Se\n0.225471 0.525661 0.934183 Se\n0.187891 0.568243 0.681383 Se\n0.553803 0.820488 0.944828 Se\n0.127975 0.343840 0.799754 Se\n0.876325 0.876325 0.225254 Se\n0.389420 0.634959 0.497100 Se\n0.774529 0.474339 0.434183 Se\n0.212111 0.078763 0.296626 Se\n0.350423 0.640861 0.172898 Se\n0.884815 0.621274 0.469770 Se\n0.922065 0.403495 0.051349 Se\n0.378726 0.115185 0.969770 Se\n0.837451 0.620679 0.785500 Se\n0.867008 0.087193 0.010126 Se\n0.426015 0.293478 0.779543 Se\n0.576178 0.576178 0.405154 Se\n0.331710 0.034226 0.448758 Se\n0.647393 0.145205 0.266803 Se\n0.512690 0.005022 0.674739 Se\n0.359727 0.359727 0.190315 Se\n0.229913 0.738044 0.814898 Se\n0.704491 0.060837 0.683139 Se\n0.200685 0.010827 0.030391 Se\n0.685439 0.178662 0.085530 Se\n0.854795 0.352607 0.766803 Se\n0.446197 0.179512 0.444828 Se\n0.821338 0.314561 0.585530 Se\n0.868789 0.145600 0.681832 Se\n0.634959 0.389420 0.497100 Se\n0.352607 0.854795 0.766803 Se\n0.234458 0.234458 0.663337 Se\n0.621274 0.884815 0.469770 Se\n0.656650 0.656650 0.496584 Se\n0.640273 0.640273 0.690315 Se\n0.236527 0.236527 0.149010 Se\n0.251505 0.475972 0.549569 Se\n0.474339 0.774529 0.434183 Se\n0.029280 0.029280 0.322272 Se\n0.487310 0.994978 0.174739 Se\n0.610580 0.365041 0.997100 Se\n0.431757 0.812109 0.181383 Se\n0.748495 0.524028 0.049569 Se\n0.520628 0.520628 0.269024 Se\n0.872025 0.656160 0.299754 Se\n0.115185 0.378726 0.969770 Se\n0.568243 0.187891 0.681383 Se\n0.145205 0.647393 0.266803 Se\n0.994978 0.487310 0.174739 Se\n0.172222 0.690137 0.470294 Se\n0.123683 0.123683 0.431695 Se\n0.131211 0.854400 0.181832 Se\n0.820488 0.553803 0.944828 Se\n0.827778 0.309863 0.970294 Se\n0.876317 0.876317 0.931695 Se\n0.077935 0.596505 0.551349 Se\n0.365041 0.610580 0.997100 Se\n0.162549 0.379321 0.285500 Se\n",
"nsites": 160,
"nelements": 3,
"elements": [
"K",
"Mo",
"Se"
],
"chemical_system": "K-Mo-Se",
"density": 4.376606602308686,
"density_atomic": 0.03489650196673621,
"volume": 4584.986774677704,
"volume_molar": 17.25714733740471,
"formula_full": "K24 Mo24 Se112",
"formula_reduced": "K3Mo3Se14",
"formula_anonymous": "A3B3C14",
"energy": -824.0272598399999,
"energy_per_atom": -5.150170374,
"energy_above_hull": null,
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"energy_uncorrected": -771.16325984,
"band_gap": 0.8907000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 7e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:41.414000Z",
"spacegroup": 36
},
{
"id": "mp-744713",
"created_at": "2022-09-04T14:46:34.263527Z",
"structure_string": "Na4 Fe12 P8 H32 O56\n1.0\n7.419177 0.000000 0.000000\n0.000000 7.419177 0.000000\n0.000000 0.000000 19.643488\nNa Fe P H O\n4 12 8 32 56\ndirect\n0.873981 0.126019 0.250000 Na\n0.126019 0.873981 0.750000 Na\n0.626019 0.626019 0.000000 Na\n0.373981 0.373981 0.500000 Na\n0.892376 0.393177 0.492351 Fe\n0.107624 0.606823 0.992351 Fe\n0.893177 0.607624 0.242351 Fe\n0.106823 0.392376 0.742351 Fe\n0.606823 0.107624 0.007649 Fe\n0.393177 0.892376 0.507649 Fe\n0.607624 0.893177 0.757649 Fe\n0.392376 0.106823 0.257649 Fe\n0.602680 0.397320 0.750000 Fe\n0.397320 0.602680 0.250000 Fe\n0.897320 0.897320 0.500000 Fe\n0.102680 0.102680 0.000000 Fe\n0.640205 0.132614 0.399445 P\n0.359795 0.867386 0.899445 P\n0.632614 0.859795 0.149445 P\n0.367386 0.140205 0.649445 P\n0.867386 0.359795 0.100555 P\n0.132614 0.640205 0.600555 P\n0.859795 0.632614 0.850555 P\n0.140205 0.367386 0.350555 P\n0.570095 0.149973 0.836975 H\n0.429905 0.850027 0.336975 H\n0.649973 0.929905 0.586975 H\n0.350027 0.070095 0.086975 H\n0.850027 0.429905 0.663025 H\n0.149973 0.570095 0.163025 H\n0.929905 0.649973 0.413025 H\n0.070095 0.350027 0.913025 H\n0.616993 0.401206 0.599402 H\n0.383007 0.598794 0.099402 H\n0.901206 0.883007 0.349402 H\n0.098794 0.116993 0.849402 H\n0.598794 0.383007 0.900598 H\n0.401206 0.616993 0.400598 H\n0.883007 0.901206 0.650598 H\n0.116993 0.098794 0.150598 H\n0.653741 0.601863 0.568115 H\n0.346259 0.398137 0.068115 H\n0.101863 0.846259 0.318115 H\n0.898137 0.153741 0.818115 H\n0.398137 0.346259 0.931885 H\n0.601863 0.653741 0.431885 H\n0.846259 0.101863 0.681885 H\n0.153741 0.898137 0.181885 H\n0.015224 0.163298 0.568410 H\n0.984776 0.836702 0.068410 H\n0.663298 0.484776 0.318410 H\n0.336702 0.515224 0.818410 H\n0.836702 0.984776 0.931590 H\n0.163298 0.015224 0.431590 H\n0.484776 0.663298 0.681590 H\n0.515224 0.336702 0.181590 H\n0.466609 0.071265 0.436261 O\n0.533391 0.928735 0.936261 O\n0.571265 0.033391 0.186261 O\n0.428735 0.966609 0.686261 O\n0.928735 0.533391 0.063739 O\n0.071265 0.466609 0.563739 O\n0.033391 0.571265 0.813739 O\n0.966609 0.428735 0.313739 O\n0.795360 0.992550 0.409949 O\n0.204640 0.007450 0.909949 O\n0.492550 0.704640 0.159949 O\n0.507450 0.295360 0.659949 O\n0.007450 0.204640 0.090051 O\n0.992550 0.795360 0.590051 O\n0.704640 0.492550 0.840051 O\n0.295360 0.507450 0.340051 O\n0.696644 0.317666 0.429288 O\n0.303356 0.682334 0.929288 O\n0.817666 0.803356 0.179288 O\n0.182334 0.196644 0.679288 O\n0.682334 0.303356 0.070712 O\n0.317666 0.696644 0.570712 O\n0.803356 0.817666 0.820712 O\n0.196644 0.182334 0.320712 O\n0.605540 0.151456 0.321875 O\n0.394460 0.848544 0.821875 O\n0.651456 0.894460 0.071875 O\n0.348544 0.105540 0.571875 O\n0.848544 0.394460 0.178125 O\n0.151456 0.605540 0.678125 O\n0.894460 0.651456 0.928125 O\n0.105540 0.348544 0.428125 O\n0.634554 0.148661 0.793307 O\n0.365446 0.851339 0.293307 O\n0.648661 0.865446 0.543307 O\n0.351339 0.134554 0.043307 O\n0.851339 0.365446 0.706693 O\n0.148661 0.634554 0.206693 O\n0.865446 0.648661 0.456693 O\n0.134554 0.351339 0.956693 O\n0.672719 0.471218 0.560709 O\n0.327281 0.528782 0.060709 O\n0.971218 0.827281 0.310709 O\n0.028782 0.172719 0.810709 O\n0.528782 0.327281 0.939291 O\n0.471218 0.672719 0.439291 O\n0.827281 0.971218 0.689291 O\n0.172719 0.028782 0.189291 O\n0.912262 0.151468 0.537459 O\n0.087738 0.848532 0.037459 O\n0.651468 0.587738 0.287459 O\n0.348532 0.412262 0.787459 O\n0.848532 0.087738 0.962541 O\n0.151468 0.912262 0.462541 O\n0.587738 0.651468 0.712541 O\n0.412262 0.348532 0.212541 O\n",
"nsites": 112,
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"elements": [
"Na",
"Fe",
"P",
"H",
"O"
],
"chemical_system": "Fe-H-Na-O-P",
"density": 2.9764416412103976,
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"created_at": "2022-09-04T14:47:09.692701Z",
"structure_string": "Cu28 P4 S24\n1.0\n9.637410 0.000000 0.000000\n0.000000 9.637410 0.000000\n0.000000 0.000000 9.637410\nCu P S\n28 4 24\ndirect\n0.234594 0.926000 0.905735 Cu\n0.094265 0.734594 0.574000 Cu\n0.426000 0.594265 0.765406 Cu\n0.734594 0.574000 0.094265 Cu\n0.594265 0.765406 0.426000 Cu\n0.926000 0.905735 0.234594 Cu\n0.765406 0.426000 0.594265 Cu\n0.905735 0.234594 0.926000 Cu\n0.574000 0.094265 0.734594 Cu\n0.265406 0.074000 0.405735 Cu\n0.405735 0.265406 0.074000 Cu\n0.074000 0.405735 0.265406 Cu\n0.013389 0.777284 0.995025 Cu\n0.004975 0.513389 0.722716 Cu\n0.277284 0.504975 0.986611 Cu\n0.513389 0.722716 0.004975 Cu\n0.504975 0.986611 0.277284 Cu\n0.777284 0.995025 0.013389 Cu\n0.986611 0.277284 0.504975 Cu\n0.995025 0.013389 0.777284 Cu\n0.722716 0.004975 0.513389 Cu\n0.486611 0.222716 0.495025 Cu\n0.495025 0.486611 0.222716 Cu\n0.222716 0.495025 0.486611 Cu\n0.356401 0.856401 0.643599 Cu\n0.856401 0.643599 0.356401 Cu\n0.643599 0.356401 0.856401 Cu\n0.143599 0.143599 0.143599 Cu\n0.747240 0.247240 0.252760 P\n0.247240 0.252760 0.747240 P\n0.252760 0.747240 0.247240 P\n0.752760 0.752760 0.752760 P\n0.871689 0.371689 0.128311 S\n0.371689 0.128311 0.871689 S\n0.128311 0.871689 0.371689 S\n0.628311 0.628311 0.628311 S\n0.369525 0.870961 0.116592 S\n0.883408 0.869525 0.629039 S\n0.370961 0.383408 0.630475 S\n0.869525 0.629039 0.883408 S\n0.383408 0.630475 0.370961 S\n0.870961 0.116592 0.369525 S\n0.630475 0.370961 0.383408 S\n0.116592 0.369525 0.870961 S\n0.629039 0.883408 0.869525 S\n0.130475 0.129039 0.616592 S\n0.616592 0.130475 0.129039 S\n0.129039 0.616592 0.130475 S\n0.227520 0.727520 0.772480 S\n0.727520 0.772480 0.227520 S\n0.772480 0.227520 0.727520 S\n0.272480 0.272480 0.272480 S\n0.487329 0.987329 0.512671 S\n0.987329 0.512671 0.487329 S\n0.512671 0.487329 0.987329 S\n0.012671 0.012671 0.012671 S\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Cu",
"P",
"S"
],
"chemical_system": "Cu-P-S",
"density": 4.95821437271567,
"density_atomic": 0.06256148096956086,
"volume": 895.1194749888779,
"volume_molar": 9.625956206072004,
"formula_full": "Cu28 P4 S24",
"formula_reduced": "Cu7PS6",
"formula_anonymous": "AB6C7",
"energy": -257.39208135,
"energy_per_atom": -4.596287166964286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -245.32008135,
"band_gap": 0.8837000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0026116,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:55.585000Z",
"spacegroup": 198
}
]
}