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{
"id": "jvasp-112680",
"created_at": "2022-09-04T14:38:42.691762Z",
"updated_at": "2022-09-04T14:38:42.691796Z",
"structure_string": "Fe2 Cu1 Rh3 S8\n1.0\n5.913781 -0.019310 3.342214\n1.941192 5.586139 3.342214\n-0.027248 -0.019310 6.792825\nFe Cu Rh S\n2 1 3 8\ndirect\n0.381317 0.381318 0.381318 Fe\n0.751161 0.751162 0.751161 Fe\n0.997355 0.997356 0.997356 Cu\n0.377793 0.377794 0.868536 Rh\n0.868535 0.377794 0.377794 Rh\n0.377793 0.868536 0.377794 Rh\n0.132876 0.132877 0.132876 S\n0.141953 0.141954 0.592496 S\n0.592496 0.141954 0.141953 S\n0.141953 0.592496 0.141953 S\n0.623507 0.623507 0.623507 S\n0.617115 0.617116 0.129025 S\n0.129025 0.617116 0.617116 S\n0.617115 0.129026 0.617116 S\n",
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{
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"updated_at": "2022-09-04T14:38:42.649637Z",
"structure_string": "U2 Ga10 Co1 Ni1\n1.0\n4.238495 -0.000000 0.000000\n0.000000 4.238495 0.000000\n-0.000000 -0.000000 13.531047\nU Ga Co Ni\n2 10 1 1\ndirect\n0.000000 0.000000 0.751671 U\n0.000000 0.000000 0.248329 U\n0.499999 0.000000 0.095535 Ga\n0.499999 0.000000 0.597845 Ga\n-0.000000 0.499999 0.095535 Ga\n-0.000000 0.499999 0.597845 Ga\n0.499999 0.000000 0.904465 Ga\n0.499999 0.000000 0.402155 Ga\n-0.000000 0.499999 0.904465 Ga\n-0.000000 0.499999 0.402155 Ga\n0.499999 0.499999 0.751295 Ga\n0.499999 0.499999 0.248705 Ga\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Ni\n",
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{
"id": "jvasp-116480",
"created_at": "2022-09-04T14:38:41.709285Z",
"updated_at": "2022-09-04T14:38:41.709318Z",
"structure_string": "Lu3 Ga8 Rh3\n1.0\n7.811162 0.046182 -2.103165\n-0.751550 3.954571 -7.016853\n-0.078352 -0.046182 8.088968\nLu Ga Rh\n3 8 3\ndirect\n0.500000 0.500000 -0.000001 Lu\n0.165570 0.165570 -0.000000 Lu\n0.834430 0.834429 -0.000001 Lu\n0.658966 0.375453 0.283512 Ga\n0.341034 0.624546 0.716488 Ga\n0.091943 0.375454 0.716488 Ga\n0.908057 0.624546 0.283511 Ga\n0.542859 0.170409 0.372450 Ga\n0.457141 0.829591 0.627549 Ga\n0.797958 0.170409 0.627549 Ga\n0.202042 0.829591 0.372451 Ga\n0.000000 0.500000 0.500000 Rh\n0.221553 -0.000000 0.221552 Rh\n0.778448 -0.000000 0.778447 Rh\n",
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"formula_full": "Lu3 Ga8 Rh3",
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{
"id": "jvasp-112874",
"created_at": "2022-09-04T14:38:41.715666Z",
"updated_at": "2022-09-04T14:38:41.715714Z",
"structure_string": "Bi4 Pt6 Se4\n1.0\n7.075047 -0.000000 -2.501407\n-3.537524 6.127171 -2.501407\n-0.000000 -0.000000 7.504221\nBi Pt Se\n4 6 4\ndirect\n0.034920 0.500000 -0.000000 Bi\n0.000000 0.034919 0.500000 Bi\n0.500000 0.000000 0.034919 Bi\n0.465081 0.465081 0.465080 Bi\n0.546182 0.750000 0.296181 Pt\n0.250000 0.203819 0.953819 Pt\n0.296181 0.546181 0.750000 Pt\n0.953819 0.250000 0.203819 Pt\n0.750000 0.296181 0.546181 Pt\n0.203819 0.953819 0.250000 Pt\n0.567559 0.500000 -0.000000 Se\n0.000000 0.567558 0.500000 Se\n0.500000 0.000000 0.567558 Se\n0.932442 0.932442 0.932441 Se\n",
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{
"id": "jvasp-112486",
"created_at": "2022-09-04T14:38:41.723869Z",
"updated_at": "2022-09-04T14:38:41.723898Z",
"structure_string": "V4 O10\n1.0\n6.567885 0.126710 0.181054\n1.560846 6.525196 0.363661\n-0.184151 -0.197866 4.304916\nV O\n4 10\ndirect\n0.228592 0.705767 0.608338 V\n0.771408 0.294233 0.391662 V\n0.690619 0.817878 0.396503 V\n0.309381 0.182122 0.603497 V\n0.962213 0.798071 0.496336 O\n0.037787 0.201929 0.503664 O\n0.384045 0.887922 0.501937 O\n0.615955 0.112078 0.498063 O\n0.232583 0.707191 0.983210 O\n0.767417 0.292809 0.016790 O\n0.689661 0.819788 0.023098 O\n0.310339 0.180213 0.976901 O\n0.313093 0.444173 0.500493 O\n0.686907 0.555827 0.499507 O\n",
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{
"id": "jvasp-111611",
"created_at": "2022-09-04T14:38:41.797338Z",
"updated_at": "2022-09-04T14:38:41.797364Z",
"structure_string": "Er2 Ga12\n1.0\n5.970523 0.000000 0.000000\n0.000000 5.970523 -0.000000\n0.000000 -0.000000 7.525693\nEr Ga\n2 12\ndirect\n0.500000 0.000000 0.000000 Er\n0.000000 0.500000 0.000000 Er\n0.500000 0.500000 0.161534 Ga\n0.000000 0.000000 0.161534 Ga\n0.000000 0.000000 0.838466 Ga\n0.500000 0.500000 0.838466 Ga\n0.823479 0.676520 0.351306 Ga\n0.323480 0.823479 0.351306 Ga\n0.676520 0.176520 0.351306 Ga\n0.176520 0.323480 0.351306 Ga\n0.676520 0.823479 0.648694 Ga\n0.176520 0.676520 0.648694 Ga\n0.823479 0.323480 0.648694 Ga\n0.323480 0.176520 0.648694 Ga\n",
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"density_atomic": 0.05218633362519115,
"volume": 268.269468795217,
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"formula_full": "Er2 Ga12",
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"formula_anonymous": "AB6",
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"spacegroup": 125
},
{
"id": "jvasp-112616",
"created_at": "2022-09-04T14:38:42.556145Z",
"updated_at": "2022-09-04T14:38:42.556172Z",
"structure_string": "Y4 Mn2 S8\n1.0\n6.451781 0.002372 0.000000\n-5.343949 3.614926 0.000000\n-0.000000 -0.000000 12.805370\nY Mn S\n4 2 8\ndirect\n0.382049 0.617952 0.785143 Y\n0.617951 0.382049 0.285143 Y\n0.138822 0.861180 0.582074 Y\n0.861179 0.138820 0.082074 Y\n0.126309 0.873692 0.946342 Mn\n0.873691 0.126308 0.446342 Mn\n0.792217 0.207782 0.635013 S\n0.207783 0.792218 0.135013 S\n0.488453 0.511547 0.995093 S\n0.511547 0.488453 0.495093 S\n0.759256 0.240743 0.894901 S\n0.240744 0.759257 0.394901 S\n0.039941 0.960060 0.769432 S\n0.960059 0.039940 0.269432 S\n",
"nsites": 14,
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],
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"volume": 298.8182611737366,
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"spacegroup": 36
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{
"id": "jvasp-116606",
"created_at": "2022-09-04T14:38:42.550418Z",
"updated_at": "2022-09-04T14:38:42.550442Z",
"structure_string": "Na2 La2 Ag2 Te8\n1.0\n4.471027 -0.000000 0.000000\n0.000000 4.471959 0.000000\n0.000000 -0.000000 20.787280\nNa La Ag Te\n2 2 2 8\ndirect\n-0.000000 0.500000 0.133550 Na\n0.500000 0.000000 0.866450 Na\n-0.000000 0.500000 0.602654 La\n0.500000 0.000000 0.397346 La\n0.500000 0.500000 0.000015 Ag\n0.000000 0.000000 -0.000015 Ag\n0.500000 0.500000 0.272137 Te\n0.000000 0.000000 0.727863 Te\n-0.000000 0.500000 0.441129 Te\n0.500000 0.000000 0.558871 Te\n0.500000 0.500000 0.727887 Te\n0.000000 0.000000 0.272113 Te\n-0.000000 0.500000 0.909986 Te\n0.500000 0.000000 0.090014 Te\n",
"nsites": 14,
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],
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"volume": 415.62606133060075,
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{
"id": "jvasp-116611",
"created_at": "2022-09-04T14:38:42.509455Z",
"updated_at": "2022-09-04T14:38:42.509483Z",
"structure_string": "Lu2 Co8 Ge4\n1.0\n7.183801 -0.000000 0.000000\n0.000000 7.183801 0.000000\n-0.000000 -0.000000 3.673025\nLu Co Ge\n2 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.500000 0.500000 0.500001 Lu\n0.580429 0.148498 -0.000000 Co\n0.419570 0.851502 -0.000000 Co\n0.648498 0.919570 0.500001 Co\n0.080429 0.351502 0.500001 Co\n0.351502 0.080429 0.500001 Co\n0.919570 0.648498 0.500001 Co\n0.148498 0.580429 -0.000000 Co\n0.851502 0.419570 -0.000000 Co\n0.277829 0.277829 -0.000000 Ge\n0.722171 0.722171 -0.000000 Ge\n0.777829 0.222171 0.500001 Ge\n0.222171 0.777829 0.500001 Ge\n",
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{
"id": "jvasp-112772",
"created_at": "2022-09-04T14:38:43.184340Z",
"updated_at": "2022-09-04T14:38:43.184364Z",
"structure_string": "Sr4 Co2 Cl2 O6\n1.0\n3.838179 -0.000000 0.000000\n0.000000 3.838179 0.000000\n-0.000000 -0.000000 14.616739\nSr Co Cl O\n4 2 2 6\ndirect\n-0.000000 0.500000 0.093754 Sr\n0.500000 0.000000 0.906246 Sr\n-0.000000 0.500000 0.341472 Sr\n0.500000 0.000000 0.658528 Sr\n0.500000 0.000000 0.209476 Co\n-0.000000 0.500000 0.790525 Co\n0.500000 0.000000 0.424992 Cl\n-0.000000 0.500000 0.575008 Cl\n-0.000000 0.500000 0.925272 O\n0.500000 0.000000 0.074728 O\n0.500000 0.500000 0.772652 O\n0.500000 0.500000 0.227348 O\n0.000000 0.000000 0.227348 O\n0.000000 0.000000 0.772652 O\n",
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{
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"created_at": "2022-09-04T14:38:42.547739Z",
"updated_at": "2022-09-04T14:38:42.547764Z",
"structure_string": "Ba6 Sc2 N6\n1.0\n8.344056 -0.000000 0.000000\n-4.172022 7.226143 0.000000\n-0.000000 -0.000000 5.754069\nBa Sc N\n6 2 6\ndirect\n0.921789 0.647182 0.250000 Ba\n0.725393 0.078211 0.250000 Ba\n0.352820 0.274608 0.250000 Ba\n0.078212 0.352818 0.750000 Ba\n0.274608 0.921789 0.750000 Ba\n0.647180 0.725391 0.750000 Ba\n0.666667 0.333333 0.750000 Sc\n0.333333 0.666666 0.250000 Sc\n0.886133 0.599707 0.750000 N\n0.713576 0.113867 0.750000 N\n0.400295 0.286428 0.750000 N\n0.113867 0.400293 0.250000 N\n0.286424 0.886133 0.250000 N\n0.599705 0.713572 0.250000 N\n",
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},
{
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"created_at": "2022-09-04T14:38:42.463899Z",
"updated_at": "2022-09-04T14:38:42.463925Z",
"structure_string": "Li4 Ce4 Si6\n1.0\n9.442999 -0.002492 0.000000\n-8.413666 4.287243 0.000000\n0.000000 0.000000 6.730950\nLi Ce Si\n4 4 6\ndirect\n0.811130 0.188870 0.561255 Li\n0.188869 0.811130 0.438745 Li\n0.188869 0.811130 0.061255 Li\n0.811130 0.188870 0.938745 Li\n0.550870 0.449129 0.250000 Ce\n0.449129 0.550870 0.750000 Ce\n0.343033 0.656967 0.250000 Ce\n0.656967 0.343033 0.750000 Ce\n0.940752 0.059249 0.072050 Si\n0.059248 0.940751 0.927950 Si\n0.059248 0.940751 0.572050 Si\n0.940752 0.059249 0.427950 Si\n0.719973 0.280027 0.250000 Si\n0.280026 0.719973 0.750000 Si\n",
"nsites": 14,
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}
]
}