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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=volume_molar&page=10165",
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"results": [
{
"id": "mp-1215059",
"created_at": "2022-09-04T14:44:21.119395Z",
"structure_string": "Ce24 C16 Br24\n1.0\n5.662616 -8.432571 0.000000\n5.662616 8.432571 0.000000\n0.000000 0.000000 16.847359\nCe C Br\n24 16 24\ndirect\n0.975685 0.483195 0.625559 Ce\n0.024315 0.516805 0.125559 Ce\n0.516805 0.024315 0.874441 Ce\n0.483195 0.975685 0.374441 Ce\n0.874656 0.125344 0.750000 Ce\n0.125344 0.874656 0.250000 Ce\n0.895798 0.177952 0.515791 Ce\n0.104202 0.822048 0.015791 Ce\n0.822048 0.104202 0.984209 Ce\n0.177952 0.895798 0.484209 Ce\n0.244665 0.275150 0.604652 Ce\n0.755335 0.724850 0.104652 Ce\n0.724850 0.755335 0.895348 Ce\n0.275150 0.244665 0.395348 Ce\n0.947793 0.481903 0.894108 Ce\n0.052207 0.518097 0.394108 Ce\n0.518097 0.052207 0.605892 Ce\n0.481903 0.947793 0.105892 Ce\n0.356619 0.610744 0.503305 Ce\n0.643381 0.389256 0.003305 Ce\n0.389256 0.643381 0.996695 Ce\n0.610744 0.356619 0.496695 Ce\n0.663710 0.336290 0.750000 Ce\n0.336290 0.663710 0.250000 Ce\n0.837823 0.642986 0.974718 C\n0.162177 0.357014 0.474718 C\n0.357014 0.162177 0.525282 C\n0.642986 0.837823 0.025282 C\n0.787360 0.223455 0.649822 C\n0.212640 0.776545 0.149822 C\n0.776545 0.212640 0.850178 C\n0.223455 0.787360 0.350178 C\n0.728871 0.285863 0.593034 C\n0.271129 0.714137 0.093034 C\n0.714137 0.271129 0.906966 C\n0.285863 0.728871 0.406966 C\n0.101354 0.416971 0.531727 C\n0.898646 0.583029 0.031727 C\n0.583029 0.898646 0.968273 C\n0.416971 0.101354 0.468273 C\n0.254075 0.766106 0.630496 Br\n0.745925 0.233894 0.130496 Br\n0.233894 0.745925 0.869504 Br\n0.766106 0.254075 0.369504 Br\n0.525865 0.515014 0.631306 Br\n0.474135 0.484986 0.131306 Br\n0.484986 0.474135 0.868694 Br\n0.515014 0.525865 0.368694 Br\n0.118992 0.357366 0.997703 Br\n0.881008 0.642634 0.497703 Br\n0.642634 0.881008 0.502297 Br\n0.357366 0.118992 0.002297 Br\n0.134649 0.397080 0.757466 Br\n0.865351 0.602920 0.257466 Br\n0.602920 0.865351 0.742534 Br\n0.397080 0.134649 0.242534 Br\n0.872357 0.640119 0.758095 Br\n0.127643 0.359881 0.258095 Br\n0.359881 0.127643 0.741905 Br\n0.640119 0.872357 0.241905 Br\n0.997176 0.009427 0.117906 Br\n0.002824 0.990573 0.617906 Br\n0.990573 0.002824 0.382094 Br\n0.009427 0.997176 0.882094 Br\n",
"nsites": 64,
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"elements": [
"Ce",
"C",
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],
"chemical_system": "Br-C-Ce",
"density": 5.648172115846865,
"density_atomic": 0.039777824720966116,
"volume": 1608.936648721941,
"volume_molar": 15.139442144572193,
"formula_full": "Ce24 C16 Br24",
"formula_reduced": "Ce3C2Br3",
"formula_anonymous": "A2B3C3",
"energy": -418.08101304,
"energy_per_atom": -6.53251582875,
"energy_above_hull": null,
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"energy_uncorrected": -405.26501304,
"band_gap": 0.0,
"is_gap_direct": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:24.051000Z",
"spacegroup": 20
},
{
"id": "mp-1079703",
"created_at": "2022-09-04T14:44:21.479724Z",
"structure_string": "Sm2 Sb4 Au2\n1.0\n4.423053 0.000000 0.000000\n0.000000 4.423053 0.000000\n0.000000 0.000000 10.280457\nSm Sb Au\n2 4 2\ndirect\n0.000000 0.500000 0.754812 Sm\n0.500000 0.000000 0.245188 Sm\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.318745 Sb\n0.500000 0.000000 0.681255 Sb\n0.500000 0.500000 0.500000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 8,
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"elements": [
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"Sb",
"Au"
],
"chemical_system": "Au-Sb-Sm",
"density": 9.756568619655624,
"density_atomic": 0.03977711484855533,
"volume": 201.1206702763298,
"volume_molar": 15.139712326870079,
"formula_full": "Sm2 Sb4 Au2",
"formula_reduced": "SmSb2Au",
"formula_anonymous": "ABC2",
"energy": -38.7763636,
"energy_per_atom": -4.84704545,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:22.183000Z",
"spacegroup": 129
},
{
"id": "mp-510007",
"created_at": "2022-09-04T14:43:59.899946Z",
"structure_string": "K4 Pu4 P8 S28\n1.0\n12.446927 0.000000 0.000000\n0.000000 9.077996 0.000000\n0.000000 0.023858 9.789800\nK Pu P S\n4 4 8 28\ndirect\n0.306918 0.132429 0.394756 K\n0.806918 0.367571 0.605244 K\n0.693082 0.867571 0.605244 K\n0.193082 0.632429 0.394756 K\n0.360071 0.892722 0.859121 Pu\n0.860071 0.607278 0.140879 Pu\n0.639929 0.107278 0.140879 Pu\n0.139929 0.392722 0.859121 Pu\n0.462912 0.804058 0.185238 P\n0.962912 0.695942 0.814762 P\n0.537088 0.195942 0.814762 P\n0.037088 0.304058 0.185238 P\n0.104102 0.023440 0.727725 P\n0.604102 0.476560 0.272275 P\n0.895898 0.976560 0.272275 P\n0.395898 0.523440 0.727725 P\n0.556448 0.826506 0.015461 S\n0.056448 0.673494 0.984539 S\n0.443552 0.173494 0.984539 S\n0.943552 0.326506 0.015461 S\n0.475092 0.065309 0.666851 S\n0.975092 0.434691 0.333149 S\n0.524908 0.934691 0.333149 S\n0.024908 0.565309 0.666851 S\n0.306406 0.854082 0.146040 S\n0.806406 0.645918 0.853960 S\n0.693594 0.145918 0.853960 S\n0.193594 0.354082 0.146040 S\n0.443118 0.713131 0.636826 S\n0.943118 0.786869 0.363174 S\n0.556882 0.286869 0.363174 S\n0.056882 0.213131 0.636826 S\n0.173060 0.076526 0.910201 S\n0.673060 0.423474 0.089799 S\n0.826940 0.923474 0.089799 S\n0.326940 0.576526 0.910201 S\n0.211748 0.890012 0.633498 S\n0.711748 0.609988 0.366502 S\n0.788252 0.109988 0.366502 S\n0.288252 0.390012 0.633498 S\n0.948830 0.921759 0.752085 S\n0.448830 0.578241 0.247915 S\n0.051170 0.078241 0.247915 S\n0.551170 0.421759 0.752085 S\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Pu",
"P",
"S"
],
"chemical_system": "K-P-Pu-S",
"density": 3.4196172294229656,
"density_atomic": 0.03977651477256731,
"volume": 1106.180374313375,
"volume_molar": 15.139940727419622,
"formula_full": "K4 Pu4 P8 S28",
"formula_reduced": "KPuP2S7",
"formula_anonymous": "ABC2D7",
"energy": -269.81669451,
"energy_per_atom": -6.1321976025,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:36:12.584000Z",
"spacegroup": 14
},
{
"id": "mp-1185461",
"created_at": "2022-09-04T14:42:12.099743Z",
"structure_string": "Li1 Sn3\n1.0\n-2.290136 2.290136 4.793567\n2.290136 -2.290136 4.793567\n2.290136 2.290136 -4.793567\nLi Sn\n1 3\ndirect\n0.000000 0.000000 0.000000 Li\n0.750000 0.250000 0.500000 Sn\n0.250000 0.750000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n",
"nsites": 4,
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"elements": [
"Li",
"Sn"
],
"chemical_system": "Li-Sn",
"density": 5.995139845785338,
"density_atomic": 0.039775775029876385,
"volume": 100.56372244149911,
"volume_molar": 15.140222297306963,
"formula_full": "Li1 Sn3",
"formula_reduced": "LiSn3",
"formula_anonymous": "AB3",
"energy": -14.45433676,
"energy_per_atom": -3.61358419,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -14.45433676,
"band_gap": 0.0,
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"total_magnetization": 0.0014082,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.585000Z",
"spacegroup": 139
},
{
"id": "mp-1038715",
"created_at": "2022-09-04T14:39:18.641840Z",
"structure_string": "Ce1 Mg1\n1.0\n1.557469 -2.697616 0.000000\n1.557469 2.697616 0.000000\n0.000000 0.000000 5.983921\nCe Mg\n1 1\ndirect\n0.000000 0.000000 0.500000 Ce\n0.666667 0.333333 0.000000 Mg\n",
"nsites": 2,
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"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 5.429889550817404,
"density_atomic": 0.0397754048419312,
"volume": 50.282329191822626,
"volume_molar": 15.140363206690646,
"formula_full": "Ce1 Mg1",
"formula_reduced": "CeMg",
"formula_anonymous": "AB",
"energy": -7.4997282,
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"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.308000Z",
"spacegroup": 187
},
{
"id": "mp-1245630",
"created_at": "2022-09-04T14:48:17.846655Z",
"structure_string": "Cd4 Pb8 N8\n1.0\n10.772159 0.000000 0.000000\n0.000000 3.666788 0.000000\n0.000000 0.000000 12.730221\nCd Pb N\n4 8 8\ndirect\n0.794463 0.250000 0.139808 Cd\n0.294463 0.250000 0.360192 Cd\n0.205537 0.750000 0.860192 Cd\n0.705537 0.750000 0.639808 Cd\n0.595844 0.250000 0.881771 Pb\n0.095844 0.250000 0.618229 Pb\n0.404156 0.750000 0.118229 Pb\n0.904156 0.750000 0.381771 Pb\n0.123514 0.250000 0.102979 Pb\n0.623514 0.250000 0.397021 Pb\n0.876486 0.750000 0.897021 Pb\n0.376486 0.750000 0.602979 Pb\n0.806893 0.250000 0.301703 N\n0.306893 0.250000 0.198297 N\n0.193107 0.750000 0.698297 N\n0.693107 0.750000 0.801703 N\n0.781580 0.250000 0.977757 N\n0.281580 0.250000 0.522243 N\n0.218420 0.750000 0.022243 N\n0.718420 0.750000 0.477757 N\n",
"nsites": 20,
"nelements": 3,
"elements": [
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"Pb",
"N"
],
"chemical_system": "Cd-N-Pb",
"density": 7.328922703082709,
"density_atomic": 0.039774570253557844,
"volume": 502.8338426412287,
"volume_molar": 15.140680896385847,
"formula_full": "Cd4 Pb8 N8",
"formula_reduced": "Cd(PbN)2",
"formula_anonymous": "AB2C2",
"energy": -93.04523855,
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"updated_at": "2021-11-28T01:38:54.058000Z",
"spacegroup": 62
},
{
"id": "mp-1038828",
"created_at": "2022-09-04T14:48:22.799981Z",
"structure_string": "Ca2 Zn2\n1.0\n3.672818 0.000000 0.000000\n0.000000 5.226259 0.000000\n0.000000 0.000000 5.239220\nCa Zn\n2 2\ndirect\n0.000000 0.750000 0.245024 Ca\n0.000000 0.250000 0.754976 Ca\n0.500000 0.250000 0.261463 Zn\n0.500000 0.750000 0.738537 Zn\n",
"nsites": 4,
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"elements": [
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"Zn"
],
"chemical_system": "Ca-Zn",
"density": 3.483542092521346,
"density_atomic": 0.039774343439093286,
"volume": 100.56734201345715,
"volume_molar": 15.14076723660252,
"formula_full": "Ca2 Zn2",
"formula_reduced": "CaZn",
"formula_anonymous": "AB",
"energy": -7.4909787,
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"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:39:09.321000Z",
"spacegroup": 51
},
{
"id": "mp-755831",
"created_at": "2022-09-04T14:40:43.106775Z",
"structure_string": "Br6 Cl6 O6\n1.0\n4.993628 -7.815854 0.000000\n4.993628 7.815854 0.000000\n-7.239476 0.000000 5.797749\nBr Cl O\n6 6 6\ndirect\n0.261155 0.417814 0.740269 Br\n0.582186 0.259731 0.738845 Br\n0.259731 0.738845 0.582186 Br\n0.740269 0.261155 0.417814 Br\n0.417814 0.740269 0.261155 Br\n0.738845 0.582186 0.259731 Br\n0.866062 0.621859 0.913263 Cl\n0.086737 0.133938 0.378141 Cl\n0.621859 0.913263 0.866062 Cl\n0.378141 0.086737 0.133938 Cl\n0.913263 0.866062 0.621859 Cl\n0.133938 0.378141 0.086737 Cl\n0.486206 0.313272 0.861673 O\n0.138327 0.513794 0.686728 O\n0.686728 0.138327 0.513794 O\n0.313272 0.861673 0.486206 O\n0.861673 0.486206 0.313272 O\n0.513794 0.686728 0.138327 O\n",
"nsites": 18,
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"elements": [
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],
"chemical_system": "Br-Cl-O",
"density": 2.891808669475907,
"density_atomic": 0.039773194601687704,
"volume": 452.566110926282,
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"formula_full": "Br6 Cl6 O6",
"formula_reduced": "BrClO",
"formula_anonymous": "ABC",
"energy": -55.34006793,
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"updated_at": "2021-11-28T01:35:10.327000Z",
"spacegroup": 148
},
{
"id": "mp-770128",
"created_at": "2022-09-04T14:39:14.598331Z",
"structure_string": "Cs12 Ti4 O14\n1.0\n10.115186 0.000000 0.000000\n0.000000 7.327924 0.000000\n0.000000 7.038682 10.176020\nCs Ti O\n12 4 14\ndirect\n0.210380 0.593699 0.780395 Cs\n0.349780 0.954986 0.424619 Cs\n0.474790 0.203936 0.050459 Cs\n0.974790 0.796064 0.449541 Cs\n0.710380 0.406301 0.719605 Cs\n0.849780 0.045014 0.075381 Cs\n0.150220 0.954986 0.924619 Cs\n0.289620 0.593699 0.280395 Cs\n0.025210 0.203936 0.550459 Cs\n0.525210 0.796064 0.949541 Cs\n0.650220 0.045014 0.575381 Cs\n0.789620 0.406301 0.219605 Cs\n0.135022 0.321383 0.127558 Ti\n0.635022 0.678617 0.372442 Ti\n0.364978 0.321383 0.627558 Ti\n0.864978 0.678617 0.872442 Ti\n0.000000 0.500000 0.000000 O\n0.910550 0.745834 0.711105 O\n0.714937 0.511052 0.926371 O\n0.661888 0.932459 0.364954 O\n0.161888 0.067541 0.135046 O\n0.214937 0.488948 0.573629 O\n0.410550 0.254166 0.788895 O\n0.500000 0.500000 0.500000 O\n0.589450 0.745834 0.211105 O\n0.785063 0.511052 0.426371 O\n0.838112 0.932459 0.864954 O\n0.338112 0.067541 0.635046 O\n0.285063 0.488948 0.073629 O\n0.089450 0.254166 0.288895 O\n",
"nsites": 30,
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"elements": [
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"Ti",
"O"
],
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"density": 4.425706347647199,
"density_atomic": 0.03977301127164884,
"volume": 754.2803283136051,
"volume_molar": 15.141274365345145,
"formula_full": "Cs12 Ti4 O14",
"formula_reduced": "Cs6Ti2O7",
"formula_anonymous": "A2B6C7",
"energy": -186.39493464,
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"updated_at": "2021-11-28T01:34:39.209000Z",
"spacegroup": 14
},
{
"id": "mp-1232137",
"created_at": "2022-09-04T14:43:35.404740Z",
"structure_string": "Pr8 Mg4 S16\n1.0\n7.135504 0.000000 0.000000\n0.000000 8.319727 0.000000\n0.000000 0.000000 11.858686\nPr Mg S\n8 4 16\ndirect\n0.750000 0.029722 0.316331 Pr\n0.250000 0.970278 0.683669 Pr\n0.250000 0.470278 0.816331 Pr\n0.750000 0.529722 0.183669 Pr\n0.250000 0.092172 0.039858 Pr\n0.750000 0.907828 0.960142 Pr\n0.750000 0.407828 0.539858 Pr\n0.250000 0.592172 0.460142 Pr\n0.250000 0.195833 0.418739 Mg\n0.750000 0.804167 0.581261 Mg\n0.750000 0.304167 0.918739 Mg\n0.250000 0.695833 0.081261 Mg\n0.491948 0.145560 0.847540 S\n0.508052 0.854440 0.152460 S\n0.508052 0.354440 0.347540 S\n0.491948 0.645560 0.652460 S\n0.008052 0.645560 0.652460 S\n0.991948 0.354440 0.347540 S\n0.991948 0.854440 0.152460 S\n0.008052 0.145560 0.847540 S\n0.250000 0.917595 0.440964 S\n0.750000 0.082405 0.559036 S\n0.750000 0.582405 0.940964 S\n0.250000 0.417595 0.059036 S\n0.750000 0.202033 0.108979 S\n0.250000 0.797967 0.891021 S\n0.250000 0.297967 0.608979 S\n0.750000 0.702033 0.391021 S\n",
"nsites": 28,
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"elements": [
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"S"
],
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"density": 4.0983487332157855,
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"volume": 703.9961749135513,
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"formula_full": "Pr8 Mg4 S16",
"formula_reduced": "Pr2MgS4",
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"updated_at": "2021-11-28T01:36:20.226000Z",
"spacegroup": 62
},
{
"id": "mp-1071698",
"created_at": "2022-09-04T14:46:52.291874Z",
"structure_string": "Eu2 Au4\n1.0\n-2.426842 3.715782 4.182282\n2.426842 -3.715782 4.182282\n2.426842 3.715782 -4.182282\nEu Au\n2 4\ndirect\n0.210393 0.460393 0.750000 Eu\n0.789607 0.539607 0.250000 Eu\n0.385384 0.836903 0.548481 Au\n0.614616 0.163097 0.451519 Au\n0.211578 0.163097 0.048481 Au\n0.788422 0.836903 0.951519 Au\n",
"nsites": 6,
"nelements": 2,
"elements": [
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"Au"
],
"chemical_system": "Au-Eu",
"density": 12.017797376917661,
"density_atomic": 0.03977280466377941,
"volume": 150.8568493150327,
"volume_molar": 15.141353019753941,
"formula_full": "Eu2 Au4",
"formula_reduced": "EuAu2",
"formula_anonymous": "AB2",
"energy": -38.13409525,
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"is_stable": null,
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"updated_at": "2021-11-28T01:37:38.812000Z",
"spacegroup": 74
},
{
"id": "mp-1026381",
"created_at": "2022-09-04T14:48:09.785101Z",
"structure_string": "K1 Na1 Mg14\n1.0\n6.681349 -0.000000 0.000000\n-3.340675 5.786217 -0.000000\n-0.000000 0.000000 10.405849\nK Na Mg\n1 1 14\ndirect\n0.166667 0.333333 0.125000 K\n0.166667 0.333333 0.625000 Na\n0.171222 0.835610 0.125000 Mg\n0.168592 0.834295 0.625000 Mg\n0.664390 0.328778 0.125000 Mg\n0.665705 0.331408 0.625000 Mg\n0.664390 0.835610 0.125000 Mg\n0.665705 0.834295 0.625000 Mg\n0.339749 0.160251 0.381660 Mg\n0.339749 0.160251 0.868340 Mg\n0.339749 0.679498 0.381660 Mg\n0.339749 0.679498 0.868340 Mg\n0.820502 0.160251 0.381660 Mg\n0.820502 0.160251 0.868340 Mg\n0.833333 0.666667 0.373216 Mg\n0.833333 0.666667 0.876784 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
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"Na",
"Mg"
],
"chemical_system": "K-Mg-Na",
"density": 1.6608309094380824,
"density_atomic": 0.03977256392167899,
"volume": 402.2873665250134,
"volume_molar": 15.141444669895893,
"formula_full": "K1 Na1 Mg14",
"formula_reduced": "KNaMg14",
"formula_anonymous": "ABC14",
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"total_magnetization": 7.99e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.188000Z",
"spacegroup": 187
}
]
}