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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_anonymous&page=10120",
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"results": [
{
"id": "mp-1210287",
"created_at": "2022-09-04T14:46:36.438767Z",
"structure_string": "Pr46 Cd8 Ir14\n1.0\n5.059652 -8.763574 0.000000\n5.059652 8.763574 0.000000\n0.000000 0.000000 22.825194\nPr Cd Ir\n46 8 14\ndirect\n0.206174 0.412347 0.720020 Pr\n0.206174 0.793826 0.720020 Pr\n0.793826 0.587653 0.220020 Pr\n0.587653 0.793826 0.720020 Pr\n0.793826 0.206174 0.220020 Pr\n0.412347 0.206174 0.220020 Pr\n0.793777 0.587554 0.946666 Pr\n0.793777 0.206223 0.946666 Pr\n0.206223 0.412446 0.446666 Pr\n0.412446 0.206223 0.946666 Pr\n0.206223 0.793777 0.446666 Pr\n0.587554 0.793777 0.446666 Pr\n0.208447 0.416894 0.989774 Pr\n0.208447 0.791553 0.989774 Pr\n0.791553 0.583106 0.489774 Pr\n0.583106 0.791553 0.989774 Pr\n0.791553 0.208447 0.489774 Pr\n0.416894 0.208447 0.489774 Pr\n0.872701 0.745402 0.635821 Pr\n0.872701 0.127299 0.635821 Pr\n0.127299 0.254598 0.135821 Pr\n0.254598 0.127299 0.635821 Pr\n0.127299 0.872701 0.135821 Pr\n0.745402 0.872701 0.135821 Pr\n0.460475 0.920951 0.855810 Pr\n0.460475 0.539525 0.855810 Pr\n0.539525 0.079049 0.355810 Pr\n0.079049 0.539525 0.855810 Pr\n0.539525 0.460475 0.355810 Pr\n0.920951 0.460475 0.355810 Pr\n0.000000 0.000000 0.998297 Pr\n0.000000 0.000000 0.498297 Pr\n0.461076 0.922153 0.585823 Pr\n0.461076 0.538924 0.585823 Pr\n0.538924 0.077847 0.085823 Pr\n0.077847 0.538924 0.585823 Pr\n0.538924 0.461076 0.085823 Pr\n0.922153 0.461076 0.085823 Pr\n0.797673 0.595347 0.782262 Pr\n0.797673 0.202327 0.782262 Pr\n0.202327 0.404653 0.282262 Pr\n0.404653 0.202327 0.782262 Pr\n0.202327 0.797673 0.282262 Pr\n0.595347 0.797673 0.282262 Pr\n0.666667 0.333333 0.645790 Pr\n0.333333 0.666667 0.145790 Pr\n0.000000 0.000000 0.749594 Cd\n0.000000 0.000000 0.249594 Cd\n0.106566 0.213133 0.863258 Cd\n0.106566 0.893434 0.863258 Cd\n0.893434 0.786867 0.363258 Cd\n0.786867 0.893434 0.863258 Cd\n0.893434 0.106566 0.363258 Cd\n0.213133 0.106566 0.363258 Cd\n0.520524 0.041048 0.710418 Ir\n0.520524 0.479476 0.710418 Ir\n0.479476 0.958952 0.210418 Ir\n0.958952 0.479476 0.710418 Ir\n0.479476 0.520524 0.210418 Ir\n0.041048 0.520524 0.210418 Ir\n0.666667 0.333333 0.864246 Ir\n0.333333 0.666667 0.364246 Ir\n0.144148 0.288296 0.563079 Ir\n0.144148 0.855852 0.563079 Ir\n0.855852 0.711704 0.063079 Ir\n0.711704 0.855852 0.563079 Ir\n0.855852 0.144148 0.063079 Ir\n0.288296 0.144148 0.063079 Ir\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Pr",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-Pr",
"density": 8.262696386252532,
"density_atomic": 0.033594063132096307,
"volume": 2024.1671789629909,
"volume_molar": 17.926205402187122,
"formula_full": "Pr46 Cd8 Ir14",
"formula_reduced": "Pr23Cd4Ir7",
"formula_anonymous": "A4B7C23",
"energy": -381.64044083,
"energy_per_atom": -5.612359423970588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -381.64044083,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2263698,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:40.600000Z",
"spacegroup": 186
},
{
"id": "mp-1212154",
"created_at": "2022-09-04T14:47:57.588341Z",
"structure_string": "La46 Cd8 Ir14\n1.0\n5.093696 -8.822540 0.000000\n5.093696 8.822540 0.000000\n0.000000 0.000000 23.092349\nLa Cd Ir\n46 8 14\ndirect\n0.206779 0.413557 0.718868 La\n0.206779 0.793221 0.718868 La\n0.793221 0.586443 0.218868 La\n0.586443 0.793221 0.718868 La\n0.793221 0.206779 0.218868 La\n0.413557 0.206779 0.218868 La\n0.793216 0.586431 0.947755 La\n0.793216 0.206784 0.947755 La\n0.206784 0.413569 0.447755 La\n0.413569 0.206784 0.947755 La\n0.206784 0.793216 0.447755 La\n0.586431 0.793216 0.447755 La\n0.208330 0.416661 0.990420 La\n0.208330 0.791670 0.990420 La\n0.791670 0.583339 0.490420 La\n0.583339 0.791670 0.990420 La\n0.791670 0.208330 0.490420 La\n0.416661 0.208330 0.490420 La\n0.872248 0.744495 0.634973 La\n0.872248 0.127752 0.634973 La\n0.127752 0.255505 0.134973 La\n0.255505 0.127752 0.634973 La\n0.127752 0.872248 0.134973 La\n0.744495 0.872248 0.134973 La\n0.460500 0.921000 0.855646 La\n0.460500 0.539500 0.855646 La\n0.539500 0.079000 0.355646 La\n0.079000 0.539500 0.855646 La\n0.539500 0.460500 0.355646 La\n0.921000 0.460500 0.355646 La\n0.000000 0.000000 0.999725 La\n0.000000 0.000000 0.499725 La\n0.459872 0.919744 0.585776 La\n0.459872 0.540128 0.585776 La\n0.540128 0.080256 0.085776 La\n0.080256 0.540128 0.585776 La\n0.540128 0.459872 0.085776 La\n0.919744 0.459872 0.085776 La\n0.796089 0.592178 0.781754 La\n0.796089 0.203911 0.781754 La\n0.203911 0.407822 0.281754 La\n0.407822 0.203911 0.781754 La\n0.203911 0.796089 0.281754 La\n0.592178 0.796089 0.281754 La\n0.666667 0.333333 0.646429 La\n0.333333 0.666667 0.146429 La\n0.000000 0.000000 0.749615 Cd\n0.000000 0.000000 0.249615 Cd\n0.106103 0.212207 0.862916 Cd\n0.106103 0.893897 0.862916 Cd\n0.893897 0.787793 0.362916 Cd\n0.787793 0.893897 0.862916 Cd\n0.893897 0.106103 0.362916 Cd\n0.212207 0.106103 0.362916 Cd\n0.519854 0.039708 0.710753 Ir\n0.519854 0.480146 0.710753 Ir\n0.480146 0.960292 0.210752 Ir\n0.960292 0.480146 0.710753 Ir\n0.480146 0.519854 0.210752 Ir\n0.039708 0.519854 0.210752 Ir\n0.666667 0.333333 0.865604 Ir\n0.333333 0.666667 0.365604 Ir\n0.144314 0.288628 0.563061 Ir\n0.144314 0.855686 0.563061 Ir\n0.855686 0.711372 0.063061 Ir\n0.711372 0.855686 0.563061 Ir\n0.855686 0.144314 0.063061 Ir\n0.288628 0.144314 0.063061 Ir\n",
"nsites": 68,
"nelements": 3,
"elements": [
"La",
"Cd",
"Ir"
],
"chemical_system": "Cd-Ir-La",
"density": 7.984613499199152,
"density_atomic": 0.03276303656443818,
"volume": 2075.5096941719044,
"volume_molar": 18.380899304482,
"formula_full": "La46 Cd8 Ir14",
"formula_reduced": "La23Cd4Ir7",
"formula_anonymous": "A4B7C23",
"energy": -392.91897972,
"energy_per_atom": -5.77822029,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -392.91897972,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.3733215,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:16.972000Z",
"spacegroup": 186
},
{
"id": "mp-1208790",
"created_at": "2022-09-04T14:47:10.901481Z",
"structure_string": "Tb46 Cd8 Rh14\n1.0\n4.882533 -8.456795 0.000000\n4.882533 8.456795 0.000000\n0.000000 0.000000 21.999251\nTb Cd Rh\n46 8 14\ndirect\n0.208219 0.416438 0.720570 Tb\n0.208219 0.791781 0.720570 Tb\n0.791781 0.583562 0.220570 Tb\n0.583562 0.791781 0.720570 Tb\n0.791781 0.208219 0.220570 Tb\n0.416438 0.208219 0.220570 Tb\n0.792110 0.584221 0.947221 Tb\n0.792110 0.207890 0.947221 Tb\n0.207890 0.415779 0.447221 Tb\n0.415779 0.207890 0.947221 Tb\n0.207890 0.792110 0.447221 Tb\n0.584221 0.792110 0.447221 Tb\n0.210319 0.420639 0.990217 Tb\n0.210319 0.789681 0.990217 Tb\n0.789681 0.579361 0.490217 Tb\n0.579361 0.789681 0.990217 Tb\n0.789681 0.210319 0.490217 Tb\n0.420639 0.210319 0.490217 Tb\n0.872580 0.745160 0.636154 Tb\n0.872580 0.127420 0.636154 Tb\n0.127420 0.254840 0.136154 Tb\n0.254840 0.127420 0.636154 Tb\n0.127420 0.872580 0.136154 Tb\n0.745160 0.872580 0.136154 Tb\n0.457960 0.915921 0.856512 Tb\n0.457960 0.542040 0.856512 Tb\n0.542040 0.084079 0.356512 Tb\n0.084079 0.542040 0.856512 Tb\n0.542040 0.457960 0.356512 Tb\n0.915921 0.457960 0.356512 Tb\n0.000000 0.000000 0.996752 Tb\n0.000000 0.000000 0.496752 Tb\n0.459831 0.919662 0.584486 Tb\n0.459831 0.540169 0.584486 Tb\n0.540169 0.080338 0.084486 Tb\n0.080338 0.540169 0.584486 Tb\n0.540169 0.459831 0.084486 Tb\n0.919662 0.459831 0.084486 Tb\n0.798252 0.596503 0.782896 Tb\n0.798252 0.201748 0.782896 Tb\n0.201748 0.403497 0.282896 Tb\n0.403497 0.201748 0.782896 Tb\n0.201748 0.798252 0.282896 Tb\n0.596503 0.798252 0.282896 Tb\n0.666667 0.333333 0.643717 Tb\n0.333333 0.666667 0.143717 Tb\n0.000000 0.000000 0.749731 Cd\n0.000000 0.000000 0.249731 Cd\n0.107662 0.215325 0.863505 Cd\n0.107662 0.892338 0.863505 Cd\n0.892338 0.784675 0.363505 Cd\n0.784675 0.892338 0.863505 Cd\n0.892338 0.107662 0.363505 Cd\n0.215325 0.107662 0.363505 Cd\n0.521869 0.043739 0.709287 Rh\n0.521869 0.478131 0.709287 Rh\n0.478131 0.956261 0.209287 Rh\n0.956261 0.478131 0.709287 Rh\n0.478131 0.521869 0.209287 Rh\n0.043739 0.521869 0.209287 Rh\n0.666667 0.333333 0.862552 Rh\n0.333333 0.666667 0.362552 Rh\n0.143112 0.286224 0.563808 Rh\n0.143112 0.856888 0.563808 Rh\n0.856888 0.713776 0.063808 Rh\n0.713776 0.856888 0.563808 Rh\n0.856888 0.143112 0.063808 Rh\n0.286224 0.143112 0.063808 Rh\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Tb",
"density": 8.820870197158818,
"density_atomic": 0.037430017650022324,
"volume": 1816.7236958265084,
"volume_molar": 16.089067379845083,
"formula_full": "Tb46 Cd8 Rh14",
"formula_reduced": "Tb23Cd4Rh7",
"formula_anonymous": "A4B7C23",
"energy": -358.64727003,
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"energy_uncorrected": -358.64727003,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.178000Z",
"spacegroup": 186
},
{
"id": "mp-1210149",
"created_at": "2022-09-04T14:41:04.745455Z",
"structure_string": "Sm46 Cd8 Rh14\n1.0\n4.948103 -8.570366 0.000000\n4.948103 8.570366 0.000000\n0.000000 0.000000 22.352757\nSm Cd Rh\n46 8 14\ndirect\n0.207799 0.415599 0.721065 Sm\n0.207799 0.792201 0.721065 Sm\n0.792201 0.584401 0.221065 Sm\n0.584401 0.792201 0.721065 Sm\n0.792201 0.207799 0.221065 Sm\n0.415599 0.207799 0.221065 Sm\n0.792333 0.584665 0.946675 Sm\n0.792333 0.207667 0.946675 Sm\n0.207667 0.415335 0.446675 Sm\n0.415335 0.207667 0.946675 Sm\n0.207667 0.792333 0.446675 Sm\n0.584665 0.792333 0.446675 Sm\n0.209917 0.419834 0.989660 Sm\n0.209917 0.790083 0.989660 Sm\n0.790083 0.580166 0.489660 Sm\n0.580166 0.790083 0.989660 Sm\n0.790083 0.209917 0.489660 Sm\n0.419834 0.209917 0.489660 Sm\n0.872905 0.745809 0.635893 Sm\n0.872905 0.127095 0.635893 Sm\n0.127095 0.254191 0.135893 Sm\n0.254191 0.127095 0.635893 Sm\n0.127095 0.872905 0.135893 Sm\n0.745809 0.872905 0.135893 Sm\n0.458574 0.917148 0.856672 Sm\n0.458574 0.541426 0.856672 Sm\n0.541426 0.082852 0.356672 Sm\n0.082852 0.541426 0.856672 Sm\n0.541426 0.458574 0.356672 Sm\n0.917148 0.458574 0.356672 Sm\n0.000000 0.000000 0.995902 Sm\n0.000000 0.000000 0.495902 Sm\n0.459866 0.919731 0.584788 Sm\n0.459866 0.540134 0.584788 Sm\n0.540134 0.080269 0.084788 Sm\n0.080269 0.540134 0.584788 Sm\n0.540134 0.459866 0.084788 Sm\n0.919731 0.459866 0.084788 Sm\n0.798986 0.597972 0.782914 Sm\n0.798986 0.201014 0.782914 Sm\n0.201014 0.402028 0.282914 Sm\n0.402028 0.201014 0.782914 Sm\n0.201014 0.798986 0.282914 Sm\n0.597972 0.798986 0.282914 Sm\n0.666667 0.333333 0.644417 Sm\n0.333333 0.666667 0.144417 Sm\n0.000000 0.000000 0.749988 Cd\n0.000000 0.000000 0.249988 Cd\n0.107636 0.215273 0.863738 Cd\n0.107636 0.892364 0.863738 Cd\n0.892364 0.784727 0.363738 Cd\n0.784727 0.892364 0.863738 Cd\n0.892364 0.107636 0.363738 Cd\n0.215273 0.107636 0.363738 Cd\n0.521604 0.043208 0.710142 Rh\n0.521604 0.478396 0.710142 Rh\n0.478396 0.956792 0.210142 Rh\n0.956792 0.478396 0.710142 Rh\n0.478396 0.521604 0.210142 Rh\n0.043208 0.521604 0.210142 Rh\n0.666667 0.333333 0.862661 Rh\n0.333333 0.666667 0.362661 Rh\n0.142873 0.285747 0.563037 Rh\n0.142873 0.857127 0.563037 Rh\n0.857127 0.714253 0.063037 Rh\n0.714253 0.857127 0.563037 Rh\n0.857127 0.142873 0.063037 Rh\n0.285747 0.142873 0.063037 Rh\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sm",
"Cd",
"Rh"
],
"chemical_system": "Cd-Rh-Sm",
"density": 8.10770396506474,
"density_atomic": 0.035868211325237195,
"volume": 1895.829133585889,
"volume_molar": 16.789632204945683,
"formula_full": "Sm46 Cd8 Rh14",
"formula_reduced": "Sm23Cd4Rh7",
"formula_anonymous": "A4B7C23",
"energy": -356.78252695,
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"band_gap": 0.0,
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"total_magnetization": 0.3570801,
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"updated_at": "2021-11-28T01:35:23.923000Z",
"spacegroup": 186
},
{
"id": "mp-1209574",
"created_at": "2022-09-04T14:40:58.143654Z",
"structure_string": "Sm46 Cd8 Ru14\n1.0\n4.940350 -8.556937 0.000000\n4.940350 8.556937 0.000000\n0.000000 0.000000 22.139989\nSm Cd Ru\n46 8 14\ndirect\n0.207365 0.414730 0.719570 Sm\n0.207365 0.792635 0.719570 Sm\n0.792635 0.585270 0.219570 Sm\n0.585270 0.792635 0.719570 Sm\n0.792635 0.207365 0.219570 Sm\n0.414730 0.207365 0.219570 Sm\n0.793043 0.586086 0.947589 Sm\n0.793043 0.206957 0.947589 Sm\n0.206957 0.413914 0.447589 Sm\n0.413914 0.206957 0.947589 Sm\n0.206957 0.793043 0.447589 Sm\n0.586086 0.793043 0.447589 Sm\n0.207975 0.415950 0.990619 Sm\n0.207975 0.792025 0.990619 Sm\n0.792025 0.584050 0.490619 Sm\n0.584050 0.792025 0.990619 Sm\n0.792025 0.207975 0.490619 Sm\n0.415950 0.207975 0.490619 Sm\n0.873687 0.747375 0.636886 Sm\n0.873687 0.126313 0.636886 Sm\n0.126313 0.252625 0.136886 Sm\n0.252625 0.126313 0.636886 Sm\n0.126313 0.873687 0.136886 Sm\n0.747375 0.873687 0.136886 Sm\n0.459398 0.918797 0.854885 Sm\n0.459398 0.540602 0.854885 Sm\n0.540602 0.081203 0.354885 Sm\n0.081203 0.540602 0.854885 Sm\n0.540602 0.459398 0.354885 Sm\n0.918797 0.459398 0.354885 Sm\n0.000000 0.000000 0.000739 Sm\n0.000000 0.000000 0.500739 Sm\n0.459020 0.918040 0.584346 Sm\n0.459020 0.540980 0.584346 Sm\n0.540980 0.081960 0.084346 Sm\n0.081960 0.540980 0.584346 Sm\n0.540980 0.459020 0.084346 Sm\n0.918040 0.459020 0.084346 Sm\n0.794601 0.589203 0.781903 Sm\n0.794601 0.205399 0.781903 Sm\n0.205399 0.410797 0.281903 Sm\n0.410797 0.205399 0.781903 Sm\n0.205399 0.794601 0.281903 Sm\n0.589203 0.794601 0.281903 Sm\n0.666667 0.333333 0.645465 Sm\n0.333333 0.666667 0.145465 Sm\n0.000000 0.000000 0.750509 Cd\n0.000000 0.000000 0.250509 Cd\n0.106446 0.212892 0.863531 Cd\n0.106446 0.893554 0.863531 Cd\n0.893554 0.787108 0.363531 Cd\n0.787108 0.893554 0.863531 Cd\n0.893554 0.106446 0.363531 Cd\n0.212892 0.106446 0.363531 Cd\n0.517390 0.034780 0.708784 Ru\n0.517390 0.482610 0.708784 Ru\n0.482610 0.965220 0.208784 Ru\n0.965220 0.482610 0.708784 Ru\n0.482610 0.517390 0.208784 Ru\n0.034780 0.517390 0.208784 Ru\n0.666667 0.333333 0.867111 Ru\n0.333333 0.666667 0.367111 Ru\n0.146576 0.293153 0.562852 Ru\n0.146576 0.853424 0.562852 Ru\n0.853424 0.706847 0.062852 Ru\n0.706847 0.853424 0.562852 Ru\n0.853424 0.146576 0.062852 Ru\n0.293153 0.146576 0.062852 Ru\n",
"nsites": 68,
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"elements": [
"Sm",
"Cd",
"Ru"
],
"chemical_system": "Cd-Ru-Sm",
"density": 8.188536845869297,
"density_atomic": 0.036326659574301055,
"volume": 1871.903466954224,
"volume_molar": 16.57774436342698,
"formula_full": "Sm46 Cd8 Ru14",
"formula_reduced": "Sm23Cd4Ru7",
"formula_anonymous": "A4B7C23",
"energy": -370.32893883,
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{
"id": "mp-1209695",
"created_at": "2022-09-04T14:40:20.156647Z",
"structure_string": "Sm46 Mg8 Ni14\n1.0\n4.944246 -8.563685 0.000000\n4.944246 8.563685 0.000000\n0.000000 0.000000 22.389262\nSm Mg Ni\n46 8 14\ndirect\n0.207568 0.415136 0.719149 Sm\n0.207568 0.792432 0.719149 Sm\n0.792432 0.584864 0.219149 Sm\n0.584864 0.792432 0.719149 Sm\n0.792432 0.207568 0.219149 Sm\n0.415136 0.207568 0.219149 Sm\n0.792137 0.584274 0.947800 Sm\n0.792137 0.207863 0.947800 Sm\n0.207863 0.415726 0.447800 Sm\n0.415726 0.207863 0.947800 Sm\n0.207863 0.792137 0.447800 Sm\n0.584274 0.792137 0.447800 Sm\n0.211247 0.422494 0.990954 Sm\n0.211247 0.788753 0.990954 Sm\n0.788753 0.577506 0.490954 Sm\n0.577506 0.788753 0.990954 Sm\n0.788753 0.211247 0.490954 Sm\n0.422494 0.211247 0.490954 Sm\n0.871306 0.742612 0.633949 Sm\n0.871306 0.128694 0.633949 Sm\n0.128694 0.257388 0.133949 Sm\n0.257388 0.128694 0.633949 Sm\n0.128694 0.871306 0.133949 Sm\n0.742612 0.871306 0.133949 Sm\n0.457313 0.914627 0.856202 Sm\n0.457313 0.542687 0.856202 Sm\n0.542687 0.085373 0.356202 Sm\n0.085373 0.542687 0.856202 Sm\n0.542687 0.457313 0.356202 Sm\n0.914627 0.457313 0.356202 Sm\n0.000000 0.000000 0.000549 Sm\n0.000000 0.000000 0.500549 Sm\n0.460391 0.920783 0.585388 Sm\n0.460391 0.539609 0.585388 Sm\n0.539609 0.079217 0.085388 Sm\n0.079217 0.539609 0.585388 Sm\n0.539609 0.460391 0.085388 Sm\n0.920783 0.460391 0.085388 Sm\n0.795033 0.590065 0.781816 Sm\n0.795033 0.204967 0.781816 Sm\n0.204967 0.409935 0.281816 Sm\n0.409935 0.204967 0.781816 Sm\n0.204967 0.795033 0.281816 Sm\n0.590065 0.795033 0.281816 Sm\n0.666667 0.333333 0.644677 Sm\n0.333333 0.666667 0.144677 Sm\n0.000000 0.000000 0.749880 Mg\n0.000000 0.000000 0.249880 Mg\n0.105800 0.211599 0.862996 Mg\n0.105800 0.894200 0.862996 Mg\n0.894200 0.788401 0.362996 Mg\n0.788401 0.894200 0.862996 Mg\n0.894200 0.105800 0.362996 Mg\n0.211599 0.105800 0.362996 Mg\n0.521227 0.042453 0.710024 Ni\n0.521227 0.478773 0.710024 Ni\n0.478773 0.957547 0.210024 Ni\n0.957547 0.478773 0.710024 Ni\n0.478773 0.521227 0.210024 Ni\n0.042453 0.521227 0.210024 Ni\n0.666667 0.333333 0.863406 Ni\n0.333333 0.666667 0.363406 Ni\n0.143310 0.286619 0.564458 Ni\n0.143310 0.856690 0.564458 Ni\n0.856690 0.713381 0.064458 Ni\n0.713381 0.856690 0.564458 Ni\n0.856690 0.143310 0.064458 Ni\n0.286619 0.143310 0.064458 Ni\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Sm",
"Mg",
"Ni"
],
"chemical_system": "Mg-Ni-Sm",
"density": 6.94768331920942,
"density_atomic": 0.035865623365062195,
"volume": 1895.965931160725,
"volume_molar": 16.790843696491702,
"formula_full": "Sm46 Mg8 Ni14",
"formula_reduced": "Sm23Mg4Ni7",
"formula_anonymous": "A4B7C23",
"energy": -319.99349331,
"energy_per_atom": -4.7057866663235295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.99349331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.6192837,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.982000Z",
"spacegroup": 186
},
{
"id": "mp-1212033",
"created_at": "2022-09-04T14:41:09.865553Z",
"structure_string": "La46 Mg8 Pt14\n1.0\n5.170138 -8.954941 0.000000\n5.170138 8.954941 0.000000\n0.000000 0.000000 23.365362\nLa Mg Pt\n46 8 14\ndirect\n0.206545 0.413089 0.719254 La\n0.206545 0.793455 0.719254 La\n0.793455 0.586911 0.219254 La\n0.586911 0.793455 0.719254 La\n0.793455 0.206545 0.219254 La\n0.413089 0.206545 0.219254 La\n0.793027 0.586054 0.947134 La\n0.793027 0.206973 0.947134 La\n0.206973 0.413946 0.447134 La\n0.413946 0.206973 0.947134 La\n0.206973 0.793027 0.447134 La\n0.586054 0.793027 0.447134 La\n0.211190 0.422380 0.991058 La\n0.211190 0.788810 0.991058 La\n0.788810 0.577620 0.491058 La\n0.577620 0.788810 0.991058 La\n0.788810 0.211190 0.491058 La\n0.422380 0.211190 0.491058 La\n0.871147 0.742294 0.634807 La\n0.871147 0.128853 0.634807 La\n0.128853 0.257706 0.134807 La\n0.257706 0.128853 0.634807 La\n0.128853 0.871147 0.134807 La\n0.742294 0.871147 0.134807 La\n0.457523 0.915045 0.856220 La\n0.457523 0.542477 0.856220 La\n0.542477 0.084955 0.356220 La\n0.084955 0.542477 0.856220 La\n0.542477 0.457523 0.356220 La\n0.915045 0.457523 0.356220 La\n0.000000 0.000000 0.999365 La\n0.000000 0.000000 0.499365 La\n0.460704 0.921408 0.585247 La\n0.460704 0.539296 0.585247 La\n0.539296 0.078592 0.085247 La\n0.078592 0.539296 0.585247 La\n0.539296 0.460704 0.085247 La\n0.921408 0.460704 0.085247 La\n0.795624 0.591248 0.782238 La\n0.795624 0.204376 0.782238 La\n0.204376 0.408752 0.282238 La\n0.408752 0.204376 0.782238 La\n0.204376 0.795624 0.282238 La\n0.591248 0.795624 0.282238 La\n0.666667 0.333333 0.644323 La\n0.333333 0.666667 0.144323 La\n0.000000 0.000000 0.750213 Mg\n0.000000 0.000000 0.250213 Mg\n0.105736 0.211473 0.862658 Mg\n0.105736 0.894264 0.862658 Mg\n0.894264 0.788527 0.362658 Mg\n0.788527 0.894264 0.862658 Mg\n0.894264 0.105736 0.362658 Mg\n0.211473 0.105736 0.362658 Mg\n0.521302 0.042605 0.710044 Pt\n0.521302 0.478698 0.710044 Pt\n0.478698 0.957395 0.210044 Pt\n0.957395 0.478698 0.710044 Pt\n0.478698 0.521302 0.210044 Pt\n0.042605 0.521302 0.210044 Pt\n0.666667 0.333333 0.863377 Pt\n0.333333 0.666667 0.363377 Pt\n0.143197 0.286395 0.564487 Pt\n0.143197 0.856803 0.564487 Pt\n0.856803 0.713605 0.064487 Pt\n0.713605 0.856803 0.564487 Pt\n0.856803 0.143197 0.064487 Pt\n0.286395 0.143197 0.064487 Pt\n",
"nsites": 68,
"nelements": 3,
"elements": [
"La",
"Mg",
"Pt"
],
"chemical_system": "La-Mg-Pt",
"density": 7.14952287515118,
"density_atomic": 0.03142979431910079,
"volume": 2163.5521794895885,
"volume_molar": 19.160611421310424,
"formula_full": "La46 Mg8 Pt14",
"formula_reduced": "La23Mg4Pt7",
"formula_anonymous": "A4B7C23",
"energy": -362.40856329,
"energy_per_atom": -5.329537695441177,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -362.40856329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.665021,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.491000Z",
"spacegroup": 186
}
]
}