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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10146",
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"results": [
{
"id": "mp-1204560",
"created_at": "2022-09-04T14:42:03.275240Z",
"structure_string": "Rb4 Ce2 N10 O38\n1.0\n4.849231 5.376457 0.000000\n-4.849231 5.376457 0.000000\n0.000000 4.102469 17.670299\nRb Ce N O\n4 2 10 38\ndirect\n0.809659 0.630988 0.980694 Rb\n0.630988 0.809659 0.480694 Rb\n0.399085 0.195701 0.940832 Rb\n0.195701 0.399085 0.440832 Rb\n0.090969 0.913926 0.746617 Ce\n0.913926 0.090969 0.246617 Ce\n0.910169 0.126273 0.905376 N\n0.126273 0.910169 0.405376 N\n0.922937 0.053642 0.579902 N\n0.053642 0.922937 0.079902 N\n0.698268 0.293823 0.749422 N\n0.293823 0.698268 0.249422 N\n0.313449 0.650263 0.647104 N\n0.650263 0.313449 0.147104 N\n0.338044 0.709867 0.864081 N\n0.709867 0.338044 0.364081 N\n0.794129 0.026214 0.888217 O\n0.026214 0.794129 0.388217 O\n0.079569 0.112633 0.873691 O\n0.112633 0.079569 0.373691 O\n0.855937 0.236729 0.952582 O\n0.236729 0.855937 0.452582 O\n0.999399 0.175873 0.605926 O\n0.175873 0.999399 0.105926 O\n0.922038 0.889300 0.617045 O\n0.889300 0.922038 0.117045 O\n0.854187 0.096770 0.519911 O\n0.096770 0.854187 0.019911 O\n0.859835 0.331416 0.755521 O\n0.331416 0.859835 0.255521 O\n0.676856 0.144380 0.726768 O\n0.144380 0.676856 0.226768 O\n0.558281 0.403665 0.767547 O\n0.403665 0.558281 0.267547 O\n0.338246 0.826930 0.635371 O\n0.826930 0.338246 0.135371 O\n0.198655 0.592729 0.705419 O\n0.592729 0.198655 0.205419 O\n0.398029 0.545106 0.603084 O\n0.545106 0.398029 0.103084 O\n0.397773 0.837330 0.810808 O\n0.837330 0.397773 0.310808 O\n0.169139 0.668309 0.867094 O\n0.668309 0.169139 0.367094 O\n0.438118 0.628825 0.911160 O\n0.628825 0.438118 0.411160 O\n0.890565 0.776232 0.778322 O\n0.776232 0.890565 0.278322 O\n0.228634 0.114264 0.717475 O\n0.114264 0.228634 0.217475 O\n0.909065 0.496551 0.567805 O\n0.496551 0.909065 0.067805 O\n0.422028 0.200378 0.563616 O\n0.200378 0.422028 0.063616 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"N",
"O"
],
"chemical_system": "Ce-N-O-Rb",
"density": 2.469297660017115,
"density_atomic": 0.05860717883152079,
"volume": 921.3888311402065,
"volume_molar": 10.275431918181843,
"formula_full": "Rb4 Ce2 N10 O38",
"formula_reduced": "Rb2CeN5O19",
"formula_anonymous": "AB2C5D19",
"energy": -341.70948537,
"energy_per_atom": -6.327953432777777,
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"updated_at": "2021-11-28T01:35:31.586000Z",
"spacegroup": 9
},
{
"id": "mp-669351",
"created_at": "2022-09-04T14:43:51.864978Z",
"structure_string": "Rb12 Ce4 P8 Se32\n1.0\n18.397585 0.000000 0.000000\n0.000000 9.688227 0.000000\n0.000000 0.152804 10.243245\nRb Ce P Se\n12 4 8 32\ndirect\n0.294114 0.609926 0.367191 Rb\n0.964732 0.762896 0.016916 Rb\n0.035268 0.237104 0.983084 Rb\n0.210599 0.097789 0.359241 Rb\n0.289401 0.097789 0.859241 Rb\n0.794114 0.390074 0.132809 Rb\n0.464732 0.237104 0.483084 Rb\n0.705886 0.390074 0.632809 Rb\n0.205886 0.609926 0.867191 Rb\n0.535268 0.762896 0.516916 Rb\n0.789401 0.902211 0.640759 Rb\n0.710599 0.902211 0.140759 Rb\n0.486836 0.726597 0.973884 Ce\n0.986836 0.273403 0.526116 Ce\n0.013164 0.726597 0.473884 Ce\n0.513164 0.273403 0.026116 Ce\n0.397150 0.498102 0.760732 P\n0.102850 0.498102 0.260732 P\n0.402475 0.972789 0.221658 P\n0.902475 0.027211 0.278342 P\n0.897150 0.501898 0.739268 P\n0.597525 0.027211 0.778342 P\n0.602850 0.501898 0.239268 P\n0.097525 0.972789 0.721658 P\n0.021849 0.040010 0.325009 Se\n0.846078 0.173872 0.410118 Se\n0.653922 0.173872 0.910118 Se\n0.515438 0.443981 0.749760 Se\n0.375310 0.926662 0.426181 Se\n0.682410 0.616362 0.355185 Se\n0.119114 0.468089 0.477217 Se\n0.182410 0.383638 0.144815 Se\n0.317590 0.383638 0.644815 Se\n0.112263 0.724598 0.231162 Se\n0.127553 0.189683 0.664262 Se\n0.124690 0.926662 0.926181 Se\n0.875310 0.073338 0.073819 Se\n0.372447 0.189683 0.164262 Se\n0.521849 0.959990 0.174991 Se\n0.478151 0.040010 0.825009 Se\n0.153922 0.826128 0.589882 Se\n0.627553 0.810317 0.835738 Se\n0.624690 0.073338 0.573819 Se\n0.978151 0.959990 0.674991 Se\n0.612263 0.275402 0.268838 Se\n0.880886 0.531911 0.522783 Se\n0.380886 0.468089 0.977217 Se\n0.484562 0.556019 0.250240 Se\n0.387737 0.724598 0.731162 Se\n0.887737 0.275402 0.768838 Se\n0.015438 0.556019 0.750240 Se\n0.817590 0.616362 0.855185 Se\n0.984562 0.443981 0.249760 Se\n0.619114 0.531911 0.022783 Se\n0.346078 0.826128 0.089882 Se\n0.872447 0.810317 0.335738 Se\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Rb",
"Ce",
"P",
"Se"
],
"chemical_system": "Ce-P-Rb-Se",
"density": 3.965988385277051,
"density_atomic": 0.030672229318407095,
"volume": 1825.7557811878103,
"volume_molar": 19.63385412088706,
"formula_full": "Rb12 Ce4 P8 Se32",
"formula_reduced": "Rb3Ce(PSe4)2",
"formula_anonymous": "AB2C3D8",
"energy": -255.98863188,
"energy_per_atom": -4.571225569285715,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -240.88463188,
"band_gap": 0.2138,
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"is_magnetic": true,
"total_magnetization": 4.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.585000Z",
"spacegroup": 14
},
{
"id": "mp-1201336",
"created_at": "2022-09-04T14:41:10.186635Z",
"structure_string": "Rb4 Ce4 Se8 O52\n1.0\n9.223469 0.000000 0.000000\n0.000000 6.679020 0.000000\n0.000000 1.038496 19.846443\nRb Ce Se O\n4 4 8 52\ndirect\n0.493904 0.811735 0.862354 Rb\n0.993904 0.188265 0.637646 Rb\n0.506096 0.188265 0.137646 Rb\n0.006096 0.811735 0.362354 Rb\n0.395779 0.257124 0.368890 Ce\n0.895779 0.742876 0.131110 Ce\n0.604221 0.742876 0.631110 Ce\n0.104221 0.257124 0.868890 Ce\n0.245251 0.606211 0.224237 Se\n0.745251 0.393789 0.275763 Se\n0.754749 0.393789 0.775763 Se\n0.254749 0.606211 0.724237 Se\n0.276630 0.859831 0.513998 Se\n0.776630 0.140169 0.986002 Se\n0.723370 0.140169 0.486002 Se\n0.223370 0.859831 0.013998 Se\n0.133940 0.792242 0.721456 O\n0.633940 0.207758 0.778544 O\n0.866060 0.207758 0.278544 O\n0.366060 0.792242 0.221456 O\n0.428020 0.695966 0.716780 O\n0.928020 0.304034 0.783220 O\n0.571980 0.304034 0.283220 O\n0.071980 0.695966 0.216780 O\n0.250852 0.496476 0.804095 O\n0.750852 0.503524 0.695905 O\n0.749148 0.503524 0.195905 O\n0.249148 0.496476 0.304095 O\n0.226414 0.444742 0.666360 O\n0.726414 0.555258 0.833640 O\n0.773586 0.555258 0.333640 O\n0.273586 0.444742 0.166360 O\n0.351042 0.681047 0.003803 O\n0.851042 0.318953 0.496197 O\n0.648958 0.318953 0.996197 O\n0.148958 0.681047 0.503803 O\n0.218842 0.027637 0.564681 O\n0.718842 0.972363 0.935319 O\n0.781158 0.972363 0.435319 O\n0.281158 0.027637 0.064681 O\n0.433442 0.756899 0.542558 O\n0.933442 0.243101 0.957442 O\n0.566558 0.243101 0.457442 O\n0.066558 0.756899 0.042558 O\n0.192630 0.967484 0.935311 O\n0.692630 0.032516 0.564689 O\n0.807370 0.032516 0.064689 O\n0.307370 0.967484 0.435311 O\n0.526218 0.048995 0.666177 O\n0.026218 0.951005 0.833823 O\n0.473782 0.951005 0.333823 O\n0.973782 0.048995 0.166177 O\n0.250905 0.416475 0.966619 O\n0.750905 0.583525 0.533381 O\n0.749095 0.583525 0.033381 O\n0.249095 0.416475 0.466619 O\n0.088682 0.570637 0.908427 O\n0.588682 0.429363 0.591573 O\n0.911318 0.429363 0.091573 O\n0.411318 0.570637 0.408427 O\n0.231978 0.085657 0.792745 O\n0.731978 0.914343 0.707255 O\n0.768022 0.914343 0.207255 O\n0.268022 0.085657 0.292745 O\n0.357623 0.200240 0.885973 O\n0.857623 0.799760 0.614027 O\n0.642377 0.799760 0.114027 O\n0.142377 0.200240 0.385973 O\n",
"nsites": 68,
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"elements": [
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"Ce",
"Se",
"O"
],
"chemical_system": "Ce-O-Rb-Se",
"density": 3.2134473098660115,
"density_atomic": 0.05561849015652661,
"volume": 1222.6149938379883,
"volume_molar": 10.82758762967485,
"formula_full": "Rb4 Ce4 Se8 O52",
"formula_reduced": "RbCeSe2O13",
"formula_anonymous": "ABC2D13",
"energy": -378.17617867,
"energy_per_atom": -5.561414392205883,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:14.688000Z",
"spacegroup": 14
},
{
"id": "mp-1110611",
"created_at": "2022-09-04T14:48:19.742349Z",
"structure_string": "Rb2 Co1 Ag1 F6\n1.0\n6.083696 0.000000 0.000000\n3.041848 5.268635 0.000000\n3.041848 1.756212 4.967317\nRb Co Ag F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Ag\n0.220346 0.779654 0.220346 F\n0.779654 0.779654 0.220346 F\n0.779654 0.220346 0.779654 F\n0.779654 0.220346 0.220346 F\n0.220346 0.779654 0.779654 F\n0.220346 0.220346 0.779654 F\n",
"nsites": 10,
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"elements": [
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"Ag",
"F"
],
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"density": 4.7112706254402985,
"density_atomic": 0.06280764457234804,
"volume": 159.21628757278125,
"volume_molar": 9.588228950479275,
"formula_full": "Rb2 Co1 Ag1 F6",
"formula_reduced": "Rb2CoAgF6",
"formula_anonymous": "ABC2D6",
"energy": -46.98676335,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:52.707000Z",
"spacegroup": 225
},
{
"id": "mp-1110594",
"created_at": "2022-09-04T14:42:16.920300Z",
"structure_string": "Rb2 Co1 Au1 F6\n1.0\n6.176763 0.000000 0.000000\n3.088382 5.349233 0.000000\n3.088382 1.783078 5.043305\nRb Co Au F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Au\n0.226099 0.773901 0.226099 F\n0.773901 0.773901 0.226099 F\n0.773901 0.226099 0.773901 F\n0.773901 0.226099 0.226099 F\n0.226099 0.773901 0.773901 F\n0.226099 0.226099 0.773901 F\n",
"nsites": 10,
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"elements": [
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"Co",
"Au",
"F"
],
"chemical_system": "Au-Co-F-Rb",
"density": 5.389379906221178,
"density_atomic": 0.060011200323253196,
"volume": 166.63556046428872,
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"formula_full": "Rb2 Co1 Au1 F6",
"formula_reduced": "Rb2CoAuF6",
"formula_anonymous": "ABC2D6",
"energy": -45.475133670000005,
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"updated_at": "2021-11-28T01:35:46.113000Z",
"spacegroup": 225
},
{
"id": "mp-1209697",
"created_at": "2022-09-04T14:39:25.131288Z",
"structure_string": "Rb2 Co2 Br6 O12\n1.0\n-3.111205 -5.536067 -0.524965\n-3.111205 5.536067 -0.524965\n-0.931940 0.000000 -14.198072\nRb Co Br O\n2 2 6 12\ndirect\n0.390059 0.609941 0.750000 Rb\n0.609941 0.390059 0.250000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.500000 0.500000 0.000000 Br\n0.500000 0.500000 0.500000 Br\n0.497454 0.069284 0.874157 Br\n0.502546 0.930716 0.125843 Br\n0.930716 0.502546 0.625843 Br\n0.069284 0.497454 0.374157 Br\n0.869641 0.946709 0.896551 O\n0.130359 0.053290 0.103449 O\n0.053290 0.130359 0.603449 O\n0.946709 0.869641 0.396551 O\n0.190419 0.866591 0.948390 O\n0.809581 0.133409 0.051610 O\n0.133409 0.809581 0.551610 O\n0.866591 0.190419 0.448390 O\n0.676790 0.767073 0.566767 O\n0.323210 0.232927 0.433233 O\n0.232927 0.323210 0.933233 O\n0.767073 0.676790 0.066767 O\n",
"nsites": 22,
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"elements": [
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"Br",
"O"
],
"chemical_system": "Br-Co-O-Rb",
"density": 3.2966040794504843,
"density_atomic": 0.04548520693628969,
"volume": 483.67373662419527,
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"formula_full": "Rb2 Co2 Br6 O12",
"formula_reduced": "RbCo(BrO2)3",
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"energy": -95.02938827999998,
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"updated_at": "2021-11-28T01:34:41.437000Z",
"spacegroup": 15
},
{
"id": "mp-562663",
"created_at": "2022-09-04T14:44:15.805291Z",
"structure_string": "Rb4 Co4 C16 O16\n1.0\n2.953851 11.271855 0.000000\n-2.953851 11.271855 0.000000\n0.000000 8.489912 11.808290\nRb Co C O\n4 4 16 16\ndirect\n0.871557 0.781530 0.061109 Rb\n0.781530 0.871557 0.561109 Rb\n0.128443 0.218470 0.938891 Rb\n0.218470 0.128443 0.438891 Rb\n0.831693 0.413288 0.738739 Co\n0.413288 0.831693 0.238739 Co\n0.168307 0.586712 0.261261 Co\n0.586712 0.168307 0.761261 Co\n0.105981 0.265691 0.659064 C\n0.265691 0.105981 0.159064 C\n0.894019 0.734309 0.340936 C\n0.734309 0.894019 0.840936 C\n0.662302 0.631286 0.801163 C\n0.631286 0.662302 0.301163 C\n0.337698 0.368714 0.198837 C\n0.368714 0.337698 0.698837 C\n0.882181 0.197286 0.841116 C\n0.197286 0.882181 0.341116 C\n0.117819 0.802714 0.158884 C\n0.802714 0.117819 0.658884 C\n0.650012 0.562233 0.656496 C\n0.562233 0.650012 0.156496 C\n0.349988 0.437767 0.343504 C\n0.437767 0.349988 0.843504 C\n0.293964 0.159846 0.602633 O\n0.159846 0.293964 0.102633 O\n0.706036 0.840154 0.397367 O\n0.840154 0.706036 0.897367 O\n0.541781 0.786153 0.840297 O\n0.786153 0.541781 0.340297 O\n0.458219 0.213847 0.159703 O\n0.213847 0.458219 0.659703 O\n0.912953 0.054530 0.908257 O\n0.054530 0.912953 0.408257 O\n0.087047 0.945470 0.091743 O\n0.945470 0.087047 0.591743 O\n0.520742 0.666998 0.604305 O\n0.666998 0.520742 0.104305 O\n0.479258 0.333002 0.395695 O\n0.333002 0.479258 0.895695 O\n",
"nsites": 40,
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"elements": [
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"C",
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],
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"volume": 786.3230092641904,
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"formula_full": "Rb4 Co4 C16 O16",
"formula_reduced": "RbCo(CO)4",
"formula_anonymous": "ABC4D4",
"energy": -298.36885893,
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"updated_at": "2021-11-28T01:36:29.627000Z",
"spacegroup": 15
},
{
"id": "mp-1104978",
"created_at": "2022-09-04T14:47:46.605489Z",
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"elements": [
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],
"chemical_system": "Cl-Co-O-Rb",
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"formula_full": "Rb2 Co2 Cl6 O4",
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"updated_at": "2021-11-28T01:38:22.403000Z",
"spacegroup": 15
},
{
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"structure_string": "Rb2 Co2 Cu2 F12\n1.0\n-3.619455 3.679920 5.170305\n3.619455 -3.679920 5.170305\n3.619455 3.679920 -5.170305\nRb Co Cu F\n2 2 2 12\ndirect\n0.872782 0.622782 0.250000 Rb\n0.127218 0.377218 0.750000 Rb\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.821066 0.071066 0.750000 F\n0.426920 0.676920 0.750000 F\n0.830423 0.681186 0.756695 F\n0.424490 0.073727 0.743305 F\n0.830423 0.073727 0.149237 F\n0.424490 0.681186 0.350763 F\n0.178934 0.928934 0.250000 F\n0.573080 0.323080 0.250000 F\n0.169577 0.318814 0.243305 F\n0.575510 0.926273 0.256695 F\n0.169577 0.926273 0.850763 F\n0.575510 0.318814 0.649237 F\n",
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"elements": [
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],
"chemical_system": "Co-Cu-F-Rb",
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},
{
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"created_at": "2022-09-04T14:48:31.565333Z",
"structure_string": "Rb1 Co1 Cu1 S2\n1.0\n-1.953651 1.953651 6.518498\n1.953651 -1.953651 6.518498\n1.953651 1.953651 -6.518498\nRb Co Cu S\n1 1 1 2\ndirect\n0.000000 0.000000 0.000000 Rb\n0.750000 0.250000 0.500000 Co\n0.250000 0.750000 0.500000 Cu\n0.659582 0.659582 0.000000 S\n0.340418 0.340418 0.000000 S\n",
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],
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"density": 4.539828258753095,
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"volume": 99.51796710581344,
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"formula_full": "Rb1 Co1 Cu1 S2",
"formula_reduced": "RbCoCuS2",
"formula_anonymous": "ABCD2",
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"updated_at": "2021-11-28T01:39:59.391000Z",
"spacegroup": 119
},
{
"id": "mp-1179750",
"created_at": "2022-09-04T14:46:10.115054Z",
"structure_string": "Rb1 Co1 Cu3 Se4\n1.0\n6.110628 0.000000 0.000000\n0.000000 6.110628 0.000000\n0.000000 0.000000 6.110628\nRb Co Cu Se\n1 1 3 4\ndirect\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.000000 0.000000 Cu\n0.212260 0.212260 0.212260 Se\n0.787740 0.787740 0.212260 Se\n0.212260 0.787740 0.787740 Se\n0.787740 0.212260 0.787740 Se\n",
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],
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"formula_full": "Rb1 Co1 Cu3 Se4",
"formula_reduced": "RbCoCu3Se4",
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},
{
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"structure_string": "Rb2 Co1 Hg1 F6\n1.0\n6.210912 0.000000 0.000000\n3.105456 5.378808 0.000000\n3.105456 1.792936 5.071188\nRb Co Hg F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Co\n0.500000 0.500000 0.500000 Hg\n0.233260 0.766740 0.233260 F\n0.766740 0.766740 0.233260 F\n0.766740 0.233260 0.766740 F\n0.766740 0.233260 0.233260 F\n0.233260 0.766740 0.766740 F\n0.233260 0.233260 0.766740 F\n",
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],
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"density": 5.336485621681625,
"density_atomic": 0.059026749879343914,
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"formula_full": "Rb2 Co1 Hg1 F6",
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"updated_at": "2021-11-28T01:34:45.339000Z",
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}
]
}