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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10196",
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"results": [
{
"id": "mp-1200594",
"created_at": "2022-09-04T14:41:58.770329Z",
"structure_string": "Nd46 Mg8 Pt14\n1.0\n5.068784 -8.779392 0.000000\n5.068784 8.779392 0.000000\n0.000000 0.000000 22.938996\nNd Mg Pt\n46 8 14\ndirect\n0.129417 0.870583 0.363958 Nd\n0.741166 0.870583 0.363958 Nd\n0.129417 0.258834 0.363958 Nd\n0.870583 0.129417 0.863958 Nd\n0.258834 0.129417 0.863958 Nd\n0.870583 0.741166 0.863958 Nd\n0.201767 0.798233 0.216495 Nd\n0.596466 0.798233 0.216495 Nd\n0.201767 0.403534 0.216495 Nd\n0.798233 0.201767 0.716495 Nd\n0.403534 0.201767 0.716495 Nd\n0.798233 0.596466 0.716495 Nd\n0.206482 0.793518 0.053389 Nd\n0.587037 0.793518 0.053389 Nd\n0.206482 0.412963 0.053389 Nd\n0.793518 0.206482 0.553389 Nd\n0.412963 0.206482 0.553389 Nd\n0.793518 0.587037 0.553389 Nd\n0.212062 0.787938 0.508528 Nd\n0.575875 0.787938 0.508528 Nd\n0.212062 0.424125 0.508528 Nd\n0.787938 0.212062 0.008528 Nd\n0.424125 0.212062 0.008528 Nd\n0.787938 0.575875 0.008528 Nd\n0.538775 0.461225 0.414522 Nd\n0.922450 0.461225 0.414522 Nd\n0.538775 0.077550 0.414522 Nd\n0.461225 0.538775 0.914522 Nd\n0.077550 0.538775 0.914522 Nd\n0.461225 0.922450 0.914522 Nd\n0.544173 0.455827 0.142386 Nd\n0.911653 0.455827 0.142386 Nd\n0.544173 0.088347 0.142386 Nd\n0.455827 0.544173 0.642386 Nd\n0.088347 0.544173 0.642386 Nd\n0.455827 0.911653 0.642386 Nd\n0.333333 0.666667 0.357328 Nd\n0.666667 0.333333 0.857328 Nd\n0.000000 0.000000 0.500835 Nd\n0.000000 0.000000 0.000835 Nd\n0.793239 0.206761 0.278884 Nd\n0.413523 0.206761 0.278884 Nd\n0.793239 0.586477 0.278884 Nd\n0.206761 0.793239 0.778884 Nd\n0.586477 0.793239 0.778884 Nd\n0.206761 0.413523 0.778884 Nd\n0.892997 0.107003 0.135655 Mg\n0.214005 0.107003 0.135655 Mg\n0.892997 0.785995 0.135655 Mg\n0.107003 0.892997 0.635655 Mg\n0.785995 0.892997 0.635655 Mg\n0.107003 0.214005 0.635655 Mg\n0.000000 0.000000 0.249741 Mg\n0.000000 0.000000 0.749741 Mg\n0.477486 0.522514 0.289712 Pt\n0.045029 0.522514 0.289712 Pt\n0.477486 0.954971 0.289712 Pt\n0.522514 0.477486 0.789712 Pt\n0.954971 0.477486 0.789712 Pt\n0.522514 0.045029 0.789712 Pt\n0.856790 0.143210 0.434740 Pt\n0.286421 0.143210 0.434740 Pt\n0.856790 0.713579 0.434740 Pt\n0.143210 0.856790 0.934740 Pt\n0.713579 0.856790 0.934740 Pt\n0.143210 0.286421 0.934740 Pt\n0.333333 0.666667 0.137285 Pt\n0.666667 0.333333 0.637285 Pt\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 7.776216475428823,
"density_atomic": 0.03330705897047361,
"volume": 2041.6092594750364,
"volume_molar": 18.080674025702994,
"formula_full": "Nd46 Mg8 Pt14",
"formula_reduced": "Nd23Mg4Pt7",
"formula_anonymous": "A4B7C23",
"energy": -353.22159512,
"energy_per_atom": -5.194435222352942,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -353.22159512,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.5870092,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:32.732000Z",
"spacegroup": 186
},
{
"id": "mp-11091",
"created_at": "2022-09-04T14:46:15.208284Z",
"structure_string": "Nd3 Mg3 Pt3\n1.0\n3.788434 -6.561761 0.000000\n3.788434 6.561761 0.000000\n0.000000 0.000000 4.144708\nNd Mg Pt\n3 3 3\ndirect\n0.411284 0.411284 0.000000 Nd\n0.588716 0.000000 0.000000 Nd\n0.000000 0.588716 0.000000 Nd\n0.000000 0.240899 0.500000 Mg\n0.759101 0.759101 0.500000 Mg\n0.240899 0.000000 0.500000 Mg\n0.666667 0.333333 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 8.79077539342856,
"density_atomic": 0.04367555584677807,
"volume": 206.06492179684363,
"volume_molar": 13.788355163988717,
"formula_full": "Nd3 Mg3 Pt3",
"formula_reduced": "NdMgPt",
"formula_anonymous": "ABC",
"energy": -45.3755919,
"energy_per_atom": -5.041732433333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.3755919,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020731,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.661000Z",
"spacegroup": 189
},
{
"id": "mp-1210009",
"created_at": "2022-09-04T14:45:42.596214Z",
"structure_string": "Nd16 Mg4 Pt4\n1.0\n0.000000 7.143687 7.143687\n7.143687 0.000000 7.143687\n7.143687 7.143687 0.000000\nNd Mg Pt\n16 4 4\ndirect\n0.347307 0.347307 0.347307 Nd\n0.347307 0.347307 0.958080 Nd\n0.347307 0.958080 0.347307 Nd\n0.958080 0.347307 0.347307 Nd\n0.809860 0.190140 0.190140 Nd\n0.190140 0.809860 0.809860 Nd\n0.190140 0.809860 0.190140 Nd\n0.809860 0.190140 0.809860 Nd\n0.190140 0.190140 0.809860 Nd\n0.809860 0.809860 0.190140 Nd\n0.934121 0.565879 0.565879 Nd\n0.565879 0.934121 0.934121 Nd\n0.565879 0.934121 0.565879 Nd\n0.934121 0.565879 0.934121 Nd\n0.565879 0.565879 0.934121 Nd\n0.934121 0.934121 0.565879 Nd\n0.579530 0.579530 0.579530 Mg\n0.579530 0.579530 0.261411 Mg\n0.579530 0.261411 0.579530 Mg\n0.261411 0.579530 0.579530 Mg\n0.142240 0.142240 0.142240 Pt\n0.142240 0.142240 0.573281 Pt\n0.142240 0.573281 0.142240 Pt\n0.573281 0.142240 0.142240 Pt\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Pt"
],
"chemical_system": "Mg-Nd-Pt",
"density": 7.254703071131328,
"density_atomic": 0.03291652594109557,
"volume": 729.1170411770739,
"volume_molar": 18.295189385346063,
"formula_full": "Nd16 Mg4 Pt4",
"formula_reduced": "Nd4MgPt",
"formula_anonymous": "ABC4",
"energy": -117.88489884999998,
"energy_per_atom": -4.911870785416666,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -117.88489884999998,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0365776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.376000Z",
"spacegroup": 216
},
{
"id": "mp-1210030",
"created_at": "2022-09-04T14:42:25.597410Z",
"structure_string": "Nd16 Mg4 Rh4\n1.0\n0.000000 7.073382 7.073382\n7.073382 0.000000 7.073382\n7.073382 7.073382 0.000000\nNd Mg Rh\n16 4 4\ndirect\n0.596894 0.596894 0.596894 Nd\n0.596894 0.596894 0.209318 Nd\n0.596894 0.209318 0.596894 Nd\n0.209318 0.596894 0.596894 Nd\n0.062329 0.437671 0.437671 Nd\n0.437671 0.062329 0.062329 Nd\n0.437671 0.062329 0.437671 Nd\n0.062329 0.437671 0.062329 Nd\n0.437671 0.437671 0.062329 Nd\n0.062329 0.062329 0.437671 Nd\n0.186513 0.813487 0.813487 Nd\n0.813487 0.186513 0.186513 Nd\n0.813487 0.186513 0.813487 Nd\n0.186513 0.813487 0.186513 Nd\n0.813487 0.813487 0.186513 Nd\n0.186513 0.186513 0.813487 Nd\n0.829447 0.829447 0.829447 Mg\n0.829447 0.829447 0.511660 Mg\n0.829447 0.511660 0.829447 Mg\n0.511660 0.829447 0.829447 Mg\n0.392082 0.392082 0.392082 Rh\n0.392082 0.392082 0.823753 Rh\n0.392082 0.823753 0.392082 Rh\n0.823753 0.392082 0.392082 Rh\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Rh"
],
"chemical_system": "Mg-Nd-Rh",
"density": 6.608159477267817,
"density_atomic": 0.03390782298839332,
"volume": 707.8012648649021,
"volume_molar": 17.760328529677015,
"formula_full": "Nd16 Mg4 Rh4",
"formula_reduced": "Nd4MgRh",
"formula_anonymous": "ABC4",
"energy": -120.31304811,
"energy_per_atom": -5.01304367125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.31304811,
"band_gap": 0.0,
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"total_magnetization": 0.0363147,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.585000Z",
"spacegroup": 216
},
{
"id": "mp-568485",
"created_at": "2022-09-04T14:42:12.300497Z",
"structure_string": "Nd46 Mg8 Rh14\n1.0\n5.040042 -8.729609 0.000000\n5.040042 8.729609 0.000000\n0.000000 0.000000 22.699941\nNd Mg Rh\n46 8 14\ndirect\n0.457886 0.915773 0.857918 Nd\n0.000000 0.000000 0.999261 Nd\n0.744271 0.872136 0.135812 Nd\n0.872136 0.744271 0.635812 Nd\n0.791863 0.208137 0.948711 Nd\n0.208552 0.417105 0.720942 Nd\n0.582895 0.791448 0.720942 Nd\n0.542114 0.084227 0.357918 Nd\n0.789367 0.578733 0.491835 Nd\n0.540203 0.459797 0.085632 Nd\n0.791448 0.582895 0.220942 Nd\n0.416273 0.208137 0.948711 Nd\n0.789367 0.210633 0.491835 Nd\n0.210633 0.421267 0.991835 Nd\n0.255729 0.127864 0.635812 Nd\n0.457886 0.542114 0.857918 Nd\n0.409859 0.204929 0.782608 Nd\n0.791448 0.208552 0.220942 Nd\n0.795071 0.204929 0.782608 Nd\n0.210633 0.789367 0.991835 Nd\n0.421267 0.210633 0.491835 Nd\n0.583727 0.791863 0.448711 Nd\n0.208137 0.416273 0.448711 Nd\n0.127864 0.255729 0.135812 Nd\n0.080405 0.540203 0.585632 Nd\n0.666667 0.333333 0.644802 Nd\n0.795071 0.590141 0.782608 Nd\n0.872136 0.127864 0.635812 Nd\n0.791863 0.583727 0.948711 Nd\n0.578733 0.789367 0.991835 Nd\n0.204929 0.795071 0.282608 Nd\n0.459797 0.919595 0.585632 Nd\n0.208552 0.791448 0.720942 Nd\n0.417105 0.208552 0.220942 Nd\n0.919595 0.459797 0.085632 Nd\n0.127864 0.872136 0.135812 Nd\n0.590141 0.795071 0.282608 Nd\n0.459797 0.540203 0.585632 Nd\n0.915773 0.457886 0.357918 Nd\n0.000000 0.000000 0.499261 Nd\n0.333333 0.666667 0.144802 Nd\n0.084227 0.542114 0.857918 Nd\n0.542114 0.457886 0.357918 Nd\n0.540203 0.080405 0.085632 Nd\n0.204929 0.409859 0.282608 Nd\n0.208137 0.791863 0.448711 Nd\n0.000000 0.000000 0.251097 Mg\n0.106311 0.212622 0.863975 Mg\n0.106311 0.893689 0.863975 Mg\n0.893689 0.787378 0.363975 Mg\n0.787378 0.893689 0.863975 Mg\n0.212622 0.106311 0.363975 Mg\n0.000000 0.000000 0.751097 Mg\n0.893689 0.106311 0.363975 Mg\n0.666667 0.333333 0.864241 Rh\n0.521740 0.043479 0.710467 Rh\n0.478260 0.521740 0.210467 Rh\n0.043479 0.521740 0.210467 Rh\n0.478260 0.956521 0.210467 Rh\n0.143008 0.286016 0.564069 Rh\n0.856992 0.713984 0.064069 Rh\n0.856992 0.143008 0.064069 Rh\n0.333333 0.666667 0.364241 Rh\n0.956521 0.478260 0.710467 Rh\n0.286016 0.143008 0.064069 Rh\n0.521740 0.478260 0.710467 Rh\n0.143008 0.856992 0.564069 Rh\n0.713984 0.856992 0.564069 Rh\n",
"nsites": 68,
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"elements": [
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"Mg",
"Rh"
],
"chemical_system": "Mg-Nd-Rh",
"density": 6.8751790227827385,
"density_atomic": 0.03404279746716138,
"volume": 1997.4856668461125,
"volume_molar": 17.689911546808464,
"formula_full": "Nd46 Mg8 Rh14",
"formula_reduced": "Nd23Mg4Rh7",
"formula_anonymous": "A4B7C23",
"energy": -360.9285933,
"energy_per_atom": -5.307773430882353,
"energy_above_hull": null,
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"energy_uncorrected": -360.9285933,
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"updated_at": "2021-11-28T01:35:38.828000Z",
"spacegroup": 186
},
{
"id": "mp-1209841",
"created_at": "2022-09-04T14:45:34.751500Z",
"structure_string": "Nd4 Mg4 Rh4\n1.0\n0.000000 -4.188553 0.000000\n-7.263574 0.000000 0.000000\n0.000000 0.000000 -8.705214\nNd Mg Rh\n4 4 4\ndirect\n0.750000 0.961623 0.320767 Nd\n0.250000 0.038377 0.679233 Nd\n0.250000 0.538377 0.820767 Nd\n0.750000 0.461623 0.179233 Nd\n0.750000 0.865239 0.942163 Mg\n0.250000 0.134761 0.057837 Mg\n0.250000 0.634761 0.442163 Mg\n0.750000 0.365239 0.557837 Mg\n0.750000 0.747772 0.625892 Rh\n0.250000 0.252228 0.374108 Rh\n0.250000 0.752228 0.125892 Rh\n0.750000 0.247772 0.874108 Rh\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nd",
"Mg",
"Rh"
],
"chemical_system": "Mg-Nd-Rh",
"density": 6.807836266867197,
"density_atomic": 0.045309306362190584,
"volume": 264.84625264565256,
"volume_molar": 13.291178443255351,
"formula_full": "Nd4 Mg4 Rh4",
"formula_reduced": "NdMgRh",
"formula_anonymous": "ABC",
"energy": -62.07707924,
"energy_per_atom": -5.173089936666667,
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"updated_at": "2021-11-28T01:37:02.966000Z",
"spacegroup": 62
},
{
"id": "mp-605835",
"created_at": "2022-09-04T14:45:58.889787Z",
"structure_string": "Nd16 Mg4 Ru4\n1.0\n0.000000 7.082186 7.082186\n7.082186 0.000000 7.082186\n7.082186 7.082186 0.000000\nNd Mg Ru\n16 4 4\ndirect\n0.561551 0.561551 0.938449 Nd\n0.188780 0.811220 0.188780 Nd\n0.811220 0.811220 0.188780 Nd\n0.188780 0.188780 0.811220 Nd\n0.405519 0.783443 0.405519 Nd\n0.811220 0.188780 0.811220 Nd\n0.938449 0.938449 0.561551 Nd\n0.811220 0.188780 0.188780 Nd\n0.938449 0.561551 0.938449 Nd\n0.783443 0.405519 0.405519 Nd\n0.561551 0.938449 0.938449 Nd\n0.188780 0.811220 0.811220 Nd\n0.561551 0.938449 0.561551 Nd\n0.405519 0.405519 0.405519 Nd\n0.938449 0.561551 0.561551 Nd\n0.405519 0.405519 0.783443 Nd\n0.171458 0.485627 0.171458 Mg\n0.171458 0.171458 0.485627 Mg\n0.485627 0.171458 0.171458 Mg\n0.171458 0.171458 0.171458 Mg\n0.164047 0.611984 0.611984 Ru\n0.611984 0.611984 0.164047 Ru\n0.611984 0.611984 0.611984 Ru\n0.611984 0.164047 0.611984 Ru\n",
"nsites": 24,
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"elements": [
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],
"chemical_system": "Mg-Nd-Ru",
"density": 6.566385352765297,
"density_atomic": 0.03378152574376367,
"volume": 710.4474848780501,
"volume_molar": 17.826728152181623,
"formula_full": "Nd16 Mg4 Ru4",
"formula_reduced": "Nd4MgRu",
"formula_anonymous": "ABC4",
"energy": -124.12810929,
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"updated_at": "2021-11-28T01:37:20.124000Z",
"spacegroup": 216
},
{
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}
]
}