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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=12194",
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"results": [
{
"id": "mp-1222070",
"created_at": "2022-09-04T14:48:14.314509Z",
"structure_string": "Mg1 Ti4 P6 O24\n1.0\n7.409308 -4.327620 0.000000\n7.409308 4.327620 0.000000\n4.881636 0.000000 7.056611\nMg Ti P O\n1 4 6 24\ndirect\n0.500000 0.500000 0.500000 Mg\n0.646810 0.646810 0.646810 Ti\n0.133331 0.133331 0.133331 Ti\n0.353190 0.353190 0.353190 Ti\n0.866669 0.866669 0.866669 Ti\n0.469467 0.047030 0.744777 P\n0.047030 0.744777 0.469467 P\n0.744777 0.469467 0.047030 P\n0.952970 0.255223 0.530533 P\n0.255223 0.530533 0.952970 P\n0.530533 0.952970 0.255223 P\n0.509214 0.884621 0.681884 O\n0.884621 0.681884 0.509214 O\n0.681884 0.509214 0.884621 O\n0.996480 0.202128 0.364999 O\n0.202128 0.364999 0.996480 O\n0.364999 0.996480 0.202128 O\n0.490786 0.115379 0.318116 O\n0.115379 0.318116 0.490786 O\n0.318116 0.490786 0.115379 O\n0.003520 0.797872 0.635001 O\n0.797872 0.635001 0.003520 O\n0.635001 0.003520 0.797872 O\n0.549339 0.759986 0.420415 O\n0.759986 0.420415 0.549339 O\n0.420415 0.549339 0.759986 O\n0.062032 0.908314 0.280869 O\n0.908314 0.280869 0.062032 O\n0.280869 0.062032 0.908314 O\n0.450661 0.240014 0.579585 O\n0.240014 0.579585 0.450661 O\n0.579585 0.450661 0.240014 O\n0.937968 0.091686 0.719131 O\n0.091686 0.719131 0.937968 O\n0.719131 0.937968 0.091686 O\n",
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"elements": [
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"formula_full": "Mg1 Ti4 P6 O24",
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"updated_at": "2021-11-28T01:40:07.450000Z",
"spacegroup": 148
},
{
"id": "mp-1079944",
"created_at": "2022-09-04T14:48:14.319430Z",
"structure_string": "Lu2 Cu2 As4\n1.0\n3.856175 0.000000 0.000000\n0.000000 3.856175 0.000000\n0.000000 0.000000 9.742050\nLu Cu As\n2 2 4\ndirect\n0.000000 0.500000 0.763306 Lu\n0.500000 0.000000 0.236694 Lu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n0.000000 0.000000 0.000000 As\n0.500000 0.500000 0.000000 As\n0.500000 0.000000 0.667643 As\n0.000000 0.500000 0.332357 As\n",
"nsites": 8,
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"elements": [
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"Cu",
"As"
],
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"volume": 144.8651177178303,
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"formula_full": "Lu2 Cu2 As4",
"formula_reduced": "LuCuAs2",
"formula_anonymous": "ABC2",
"energy": -41.97529867,
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"updated_at": "2021-11-28T01:38:38.391000Z",
"spacegroup": 129
},
{
"id": "mp-753317",
"created_at": "2022-09-04T14:48:14.320715Z",
"structure_string": "Li1 Ni3 O1 F5\n1.0\n5.133384 -0.021476 0.027440\n-2.548641 1.562262 4.678393\n2.585294 -4.490211 -0.042838\nLi Ni O F\n1 3 1 5\ndirect\n0.156835 0.439526 0.163774 Li\n0.364307 0.027568 0.330902 Ni\n0.655009 0.951050 0.627769 Ni\n0.835098 0.564375 0.873623 Ni\n0.546634 0.750621 0.256017 O\n0.060839 0.248056 0.451823 F\n0.251829 0.761302 0.933300 F\n0.752362 0.251800 0.053132 F\n0.442086 0.257027 0.748084 F\n0.935001 0.748677 0.561578 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Li",
"Ni",
"O",
"F"
],
"chemical_system": "F-Li-Ni-O",
"density": 4.544150833589024,
"density_atomic": 0.09307599223565759,
"volume": 107.43909100298563,
"volume_molar": 6.470133291464291,
"formula_full": "Li1 Ni3 O1 F5",
"formula_reduced": "LiNi3OF5",
"formula_anonymous": "ABC3D5",
"energy": -55.48813483,
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"updated_at": "2021-11-28T01:40:07.535000Z",
"spacegroup": 1
},
{
"id": "mp-1187640",
"created_at": "2022-09-04T14:48:15.912402Z",
"structure_string": "Tm5 Mg1\n1.0\n5.758844 -3.018840 0.000000\n5.758844 3.018840 0.000000\n4.176340 0.000000 4.983560\nTm Mg\n5 1\ndirect\n0.663218 0.336782 0.000000 Tm\n0.000000 0.663218 0.336782 Tm\n0.336782 0.000000 0.663218 Tm\n0.832301 0.832301 0.832301 Tm\n0.167699 0.167699 0.167699 Tm\n0.500000 0.500000 0.500000 Mg\n",
"nsites": 6,
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"elements": [
"Tm",
"Mg"
],
"chemical_system": "Mg-Tm",
"density": 8.327445659484646,
"density_atomic": 0.03462630525892953,
"volume": 173.27866646854284,
"volume_molar": 17.391808669644284,
"formula_full": "Tm5 Mg1",
"formula_reduced": "Tm5Mg",
"formula_anonymous": "AB5",
"energy": -23.85397393,
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"updated_at": "2021-11-28T01:38:41.540000Z",
"spacegroup": 155
},
{
"id": "mp-768616",
"created_at": "2022-09-04T14:48:14.305321Z",
"structure_string": "Li2 Co4 S6 O24\n1.0\n7.459250 -4.300606 0.000000\n7.459250 4.300606 0.000000\n4.979750 0.000000 7.024080\nLi Co S O\n2 4 6 24\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.856059 0.856059 0.856059 Co\n0.643941 0.643941 0.643941 Co\n0.143941 0.143941 0.143941 Co\n0.356059 0.356059 0.356059 Co\n0.250000 0.544730 0.955270 S\n0.455270 0.044730 0.750000 S\n0.044730 0.750000 0.455270 S\n0.955270 0.250000 0.544730 S\n0.544730 0.955270 0.250000 S\n0.750000 0.455270 0.044730 S\n0.409092 0.560286 0.769182 O\n0.230818 0.590908 0.439714 O\n0.392533 0.992798 0.190377 O\n0.507202 0.107467 0.309623 O\n0.090908 0.730818 0.939714 O\n0.269182 0.060286 0.909092 O\n0.439714 0.230818 0.590908 O\n0.690377 0.492798 0.892533 O\n0.007202 0.809623 0.607467 O\n0.809623 0.607467 0.007202 O\n0.892533 0.690377 0.492798 O\n0.060286 0.909092 0.269182 O\n0.939714 0.090908 0.730818 O\n0.190377 0.392533 0.992798 O\n0.107467 0.309623 0.507202 O\n0.309623 0.507202 0.107467 O\n0.992798 0.190377 0.392533 O\n0.560286 0.769182 0.409092 O\n0.730818 0.939714 0.090908 O\n0.909092 0.269182 0.060286 O\n0.607467 0.007202 0.809623 O\n0.492798 0.892533 0.690377 O\n0.769182 0.409092 0.560286 O\n0.590908 0.439714 0.230818 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
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"Co",
"S",
"O"
],
"chemical_system": "Co-Li-O-S",
"density": 3.043545665806787,
"density_atomic": 0.07988371183586591,
"volume": 450.65507313891294,
"volume_molar": 7.5386341240295245,
"formula_full": "Li2 Co4 S6 O24",
"formula_reduced": "LiCo2(SO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -239.29749344,
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"spacegroup": 167
},
{
"id": "mp-1245014",
"created_at": "2022-09-04T14:48:14.320871Z",
"structure_string": "Sb50 N50\n1.0\n15.491304 0.540617 -0.534947\n0.589271 15.650236 -0.572033\n-0.579242 -0.517882 16.491807\nSb N\n50 50\ndirect\n0.152051 0.334702 0.861532 Sb\n0.624761 0.359327 0.272843 Sb\n0.827027 0.481706 0.370360 Sb\n0.109821 0.370623 0.174581 Sb\n0.173273 0.949688 0.500113 Sb\n0.184224 0.595636 0.715780 Sb\n0.329062 0.641248 0.414311 Sb\n0.498856 0.426910 0.585861 Sb\n0.904843 0.027435 0.439309 Sb\n0.066329 0.118157 0.438499 Sb\n0.340898 0.364028 0.297800 Sb\n0.966947 0.475368 0.106352 Sb\n0.534635 0.382268 0.057263 Sb\n0.849451 0.805090 0.535821 Sb\n0.510569 0.692897 0.404653 Sb\n0.048904 0.066135 0.600310 Sb\n0.703016 0.502789 0.220831 Sb\n0.149924 0.335434 0.643041 Sb\n0.220766 0.178025 0.709446 Sb\n0.296102 0.436828 0.710744 Sb\n0.697950 0.907749 0.644191 Sb\n0.131169 0.557972 0.121415 Sb\n0.154700 0.448040 0.334691 Sb\n0.212124 0.662928 0.559758 Sb\n0.867636 0.474096 0.621441 Sb\n0.714569 0.183307 0.568255 Sb\n0.600843 0.727325 0.596038 Sb\n0.784528 0.715420 0.664166 Sb\n0.839882 0.304230 0.311121 Sb\n0.046502 0.706477 0.463984 Sb\n0.818755 0.050728 0.639715 Sb\n0.327901 0.549827 0.247479 Sb\n0.774861 0.174031 0.415060 Sb\n0.194943 0.964289 0.311510 Sb\n0.465926 0.241117 0.212816 Sb\n0.349279 0.417920 0.909908 Sb\n0.761844 0.708756 0.400823 Sb\n0.033728 0.505188 0.749146 Sb\n0.056380 0.607408 0.307860 Sb\n0.316183 0.437592 0.494884 Sb\n0.289799 0.320198 0.069285 Sb\n0.535167 0.594273 0.166160 Sb\n0.023883 0.281530 0.345649 Sb\n0.701237 0.583714 0.505823 Sb\n0.882956 0.575211 0.233867 Sb\n0.043349 0.465011 0.512785 Sb\n0.318474 0.771072 0.274175 Sb\n0.678844 0.872634 0.453124 Sb\n0.505281 0.498195 0.360793 Sb\n0.058727 0.866907 0.386337 Sb\n0.369232 0.704226 0.008173 N\n0.474167 0.035428 0.546964 N\n0.461266 0.535883 0.243743 N\n0.073472 0.390587 0.407078 N\n0.284057 0.952986 0.004981 N\n0.941145 0.759252 0.121917 N\n0.369247 0.905095 0.744451 N\n0.535184 0.060651 0.063592 N\n0.337746 0.675881 0.950859 N\n0.134456 0.977232 0.838008 N\n0.951294 0.053028 0.181153 N\n0.579415 0.549435 0.705109 N\n0.127380 0.130601 0.064786 N\n0.405988 0.036898 0.564350 N\n0.300943 0.899593 0.278657 N\n0.937343 0.050437 0.246200 N\n0.259415 0.892688 0.023188 N\n0.671762 0.773644 0.033500 N\n0.922665 0.030001 0.565059 N\n0.849130 0.369844 0.895396 N\n0.792025 0.587917 0.603585 N\n0.551087 0.240431 0.889907 N\n0.496681 0.289857 0.867892 N\n0.373181 0.899641 0.811466 N\n0.917482 0.449237 0.509654 N\n0.739206 0.038967 0.158470 N\n0.207084 0.222126 0.822211 N\n0.543443 0.329215 0.172914 N\n0.500850 0.043211 0.003828 N\n0.719805 0.751571 0.082221 N\n0.529785 0.551105 0.643934 N\n0.611303 0.847911 0.552467 N\n0.519708 0.119845 0.737726 N\n0.123527 0.067724 0.091342 N\n0.972552 0.816379 0.151369 N\n0.626097 0.552898 0.763065 N\n0.096843 0.380476 0.751109 N\n0.440168 0.758930 0.324450 N\n0.451899 0.118003 0.755449 N\n0.720207 0.971731 0.157335 N\n0.341837 0.297285 0.183004 N\n0.370339 0.437626 0.613185 N\n0.140851 0.633027 0.225906 N\n0.391908 0.371173 0.022682 N\n0.540389 0.507427 0.073326 N\n0.258801 0.560888 0.480185 N\n0.837670 0.362445 0.828109 N\n0.444254 0.458305 0.472829 N\n0.081291 0.027825 0.847722 N\n0.442360 0.342196 0.840076 N\n",
"nsites": 100,
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"elements": [
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],
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"formula_full": "Sb50 N50",
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"energy": -598.93951181,
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"updated_at": "2021-11-28T01:38:32.838000Z",
"spacegroup": 1
},
{
"id": "mp-1222519",
"created_at": "2022-09-04T14:48:14.336909Z",
"structure_string": "Li2 Fe6 Si2 P2 O16\n1.0\n-0.003002 0.000000 -4.831569\n0.000000 -6.132256 0.000000\n-10.570316 0.000000 -0.006559\nLi Fe Si P O\n2 6 2 2 16\ndirect\n0.500000 0.000000 0.500000 Li\n0.500000 0.500000 0.500000 Li\n0.477955 0.750000 0.223299 Fe\n0.007676 0.750000 0.715350 Fe\n0.522045 0.250000 0.776701 Fe\n0.992324 0.250000 0.284650 Fe\n0.000000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.571109 0.750000 0.902538 Si\n0.428891 0.250000 0.097462 Si\n0.923115 0.750000 0.404493 P\n0.076885 0.250000 0.595507 P\n0.708378 0.750000 0.047123 O\n0.796329 0.750000 0.539717 O\n0.291622 0.250000 0.952877 O\n0.203671 0.250000 0.460283 O\n0.242680 0.750000 0.404913 O\n0.231679 0.750000 0.904853 O\n0.757320 0.250000 0.595087 O\n0.768321 0.250000 0.095147 O\n0.794792 0.952373 0.334416 O\n0.713725 0.536874 0.832999 O\n0.205208 0.452373 0.665584 O\n0.286275 0.036874 0.167001 O\n0.205208 0.047627 0.665584 O\n0.286275 0.463126 0.167001 O\n0.794792 0.547627 0.334416 O\n0.713725 0.963126 0.832999 O\n",
"nsites": 28,
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"elements": [
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],
"chemical_system": "Fe-Li-O-P-Si",
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"density_atomic": 0.08940499126753561,
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"formula_full": "Li2 Fe6 Si2 P2 O16",
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"updated_at": "2021-11-28T01:38:39.728000Z",
"spacegroup": 11
},
{
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