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"structure_string": "La4 Mg4 Si8\n1.0\n4.297805 -0.000000 -0.498734\n-0.057875 4.297415 -0.498734\n-0.002158 -0.002188 18.748781\nLa Mg Si\n4 4 8\ndirect\n0.548130 0.798131 0.596261 La\n0.298131 0.048131 0.096261 La\n0.701869 0.951870 0.903739 La\n0.451870 0.201869 0.403739 La\n0.375078 0.625079 0.250156 Mg\n0.874923 0.124922 0.249844 Mg\n0.125077 0.875079 0.750156 Mg\n0.624922 0.374922 0.749844 Mg\n0.014241 0.264241 0.528483 Si\n0.235758 0.485759 0.971517 Si\n0.172580 0.422581 0.845162 Si\n0.077419 0.327419 0.654838 Si\n0.985759 0.735759 0.471517 Si\n0.764242 0.514242 0.028483 Si\n0.827419 0.577420 0.154839 Si\n0.922581 0.672581 0.345162 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
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],
"chemical_system": "La-Mg-Si",
"density": 4.208174638601138,
"density_atomic": 0.0462066737451908,
"volume": 346.2703264085371,
"volume_molar": 13.033054041520973,
"formula_full": "La4 Mg4 Si8",
"formula_reduced": "LaMgSi2",
"formula_anonymous": "ABC2",
"energy_above_hull": 1.6781328999999998,
"spacegroup": 141
},
{
"id": "jvasp-97739",
"created_at": "2022-09-04T14:35:49.854555Z",
"updated_at": "2022-09-04T14:35:49.854571Z",
"structure_string": "Sm4 P6 Pt12\n1.0\n4.129649 0.000000 -0.371687\n-0.033453 4.129513 -0.371687\n0.001026 0.001035 23.138558\nSm P Pt\n4 6 12\ndirect\n0.424508 0.674506 0.349014 Sm\n0.174509 0.924506 0.849014 Sm\n0.825493 0.075493 0.150986 Sm\n0.575494 0.325492 0.650986 Sm\n0.700295 0.450292 0.900587 P\n0.125001 0.374999 0.750000 P\n0.950294 0.200293 0.400587 P\n0.299707 0.549706 0.099413 P\n0.875001 0.624999 0.250000 P\n0.049708 0.799705 0.599413 P\n0.475401 0.225400 0.450800 Pt\n0.350845 0.600844 0.201689 Pt\n0.227361 0.477359 0.954720 Pt\n0.100846 0.850843 0.701689 Pt\n0.649157 0.399154 0.798311 Pt\n0.772641 0.522640 0.045280 Pt\n0.977361 0.727359 0.454720 Pt\n0.022641 0.272639 0.545280 Pt\n0.274600 0.024600 0.049199 Pt\n0.725402 0.975398 0.950800 Pt\n0.524601 0.774599 0.549199 Pt\n0.899156 0.149155 0.298311 Pt\n",
"nsites": 22,
"nelements": 3,
"elements": [
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],
"chemical_system": "P-Pt-Sm",
"density": 13.164501528917663,
"density_atomic": 0.05575334348880412,
"volume": 394.59516906672764,
"volume_molar": 10.801398415162872,
"formula_full": "Sm4 P6 Pt12",
"formula_reduced": "Sm2(PPt2)3",
"formula_anonymous": "A2B3C6",
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"spacegroup": 141
},
{
"id": "jvasp-9774",
"created_at": "2022-09-04T14:36:51.175871Z",
"updated_at": "2022-09-04T14:36:51.175890Z",
"structure_string": "Ba2 Er1 Sb1 O6\n1.0\n5.178164 -0.000000 2.989615\n1.726055 4.882021 2.989615\n-0.000000 -0.000000 5.979229\nBa Er Sb O\n2 1 1 6\ndirect\n0.749999 0.750000 0.750002 Ba\n0.250000 0.250000 0.250001 Ba\n0.000000 0.000000 0.000000 Er\n0.499999 0.500000 0.500001 Sb\n0.261613 0.738386 0.738388 O\n0.261613 0.738386 0.261615 O\n0.738386 0.261613 0.738388 O\n0.261613 0.261613 0.738387 O\n0.738386 0.261613 0.261615 O\n0.738385 0.738386 0.261615 O\n",
"nsites": 10,
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"elements": [
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],
"chemical_system": "Ba-Er-O-Sb",
"density": 7.246942330222543,
"density_atomic": 0.06615754316826632,
"volume": 151.15434342181987,
"volume_molar": 9.102727325715794,
"formula_full": "Ba2 Er1 Sb1 O6",
"formula_reduced": "Ba2ErSbO6",
"formula_anonymous": "ABC2D6",
"energy_above_hull": 1.7374369039999995,
"spacegroup": 225
}
]
}