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{
"id": "jvasp-64894",
"created_at": "2022-09-04T14:35:44.770732Z",
"updated_at": "2022-09-04T14:35:44.770761Z",
"structure_string": "Mg1 Be1 Ga4\n1.0\n0.000000 3.801651 3.801651\n3.801651 -0.000000 3.801651\n3.801651 3.801651 -0.000000\nMg Be Ga\n1 1 4\ndirect\n0.750000 0.750000 0.750000 Mg\n0.000000 0.000000 0.000000 Be\n0.374614 0.374614 0.374614 Ga\n0.374614 0.876159 0.374614 Ga\n0.374614 0.374614 0.876159 Ga\n0.876159 0.374614 0.374614 Ga\n",
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{
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"structure_string": "Mg7 Cu1\n1.0\n6.222183 0.000000 -0.000000\n-3.111092 5.388569 0.000000\n0.000000 0.000000 4.949570\nMg Cu\n7 1\ndirect\n0.165710 0.832854 0.250000 Mg\n0.667146 0.334291 0.250000 Mg\n0.667146 0.832854 0.250000 Mg\n0.327437 0.172563 0.750000 Mg\n0.327438 0.654876 0.750000 Mg\n0.845124 0.172563 0.750000 Mg\n0.833333 0.666667 0.750000 Mg\n0.166667 0.333333 0.250000 Cu\n",
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{
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"structure_string": "La1 Mg6 Sb1\n1.0\n7.151213 -0.357274 0.000000\n-3.885015 6.014495 0.000000\n0.000000 0.000000 4.950679\nLa Mg Sb\n1 6 1\ndirect\n0.193303 0.306697 0.250000 La\n0.156988 0.794117 0.250000 Mg\n0.705882 0.343012 0.250000 Mg\n0.647366 0.852634 0.250000 Mg\n0.313714 0.678248 0.750000 Mg\n0.821751 0.186287 0.750000 Mg\n0.792915 0.707085 0.750000 Mg\n0.368083 0.131917 0.750000 Sb\n",
"nsites": 8,
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],
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"volume": 206.06171588012745,
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"formula_full": "La1 Mg6 Sb1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-108002",
"created_at": "2022-09-04T14:35:46.096797Z",
"updated_at": "2022-09-04T14:35:46.096826Z",
"structure_string": "Yb6 Sn2\n1.0\n6.933880 -0.000000 0.000000\n-3.466940 6.004917 0.000000\n-0.000000 -0.000000 5.496477\nYb Sn\n6 2\ndirect\n0.172867 0.345733 0.250000 Yb\n0.654267 0.827134 0.250000 Yb\n0.172867 0.827134 0.250000 Yb\n0.827134 0.654267 0.750000 Yb\n0.345733 0.172867 0.750000 Yb\n0.827133 0.172867 0.750000 Yb\n0.333333 0.666667 0.750000 Sn\n0.666667 0.333334 0.250000 Sn\n",
"nsites": 8,
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"volume": 228.85886791557272,
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"formula_full": "Yb6 Sn2",
"formula_reduced": "Yb3Sn",
"formula_anonymous": "AB3",
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"spacegroup": 194
},
{
"id": "jvasp-63839",
"created_at": "2022-09-04T14:35:44.961703Z",
"updated_at": "2022-09-04T14:35:44.961739Z",
"structure_string": "Ca2 Au2\n1.0\n1.972142 -5.519167 -0.000000\n1.972142 5.519167 0.000000\n0.000000 -0.000000 4.613118\nCa Au\n2 2\ndirect\n0.861550 0.138448 0.750000 Ca\n0.138448 0.861550 0.250000 Ca\n0.584981 0.415018 0.750000 Au\n0.415018 0.584981 0.250000 Au\n",
"nsites": 4,
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"elements": [
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"volume": 100.42371348888416,
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"formula_full": "Ca2 Au2",
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"spacegroup": 63
},
{
"id": "jvasp-86436",
"created_at": "2022-09-04T14:35:41.216418Z",
"updated_at": "2022-09-04T14:35:41.216451Z",
"structure_string": "Li1 Sb1 F6\n1.0\n4.509030 0.056403 3.028820\n1.643489 4.199223 3.028820\n0.081545 0.056403 5.431247\nLi Sb F\n1 1 6\ndirect\n0.500000 0.499999 0.500001 Li\n0.000000 0.000000 0.000000 Sb\n0.623259 0.891282 0.243011 F\n0.891283 0.243009 0.623259 F\n0.756990 0.376741 0.108717 F\n0.243010 0.623257 0.891285 F\n0.108717 0.756989 0.376742 F\n0.376741 0.108716 0.756991 F\n",
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"volume": 100.82131286543068,
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"formula_full": "Li1 Sb1 F6",
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"spacegroup": 148
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{
"id": "jvasp-96463",
"created_at": "2022-09-04T14:35:44.742695Z",
"updated_at": "2022-09-04T14:35:44.742720Z",
"structure_string": "Sr8 Cl12 O2\n1.0\n9.486424 -0.000000 -0.000000\n-4.743212 8.215484 0.000000\n-0.000000 -0.000000 7.193479\nSr Cl O\n8 12 2\ndirect\n0.666667 0.333333 0.827370 Sr\n0.803834 0.196165 0.394581 Sr\n0.607669 0.803834 0.894581 Sr\n0.196165 0.803834 0.894581 Sr\n0.392330 0.196165 0.394581 Sr\n0.803834 0.607669 0.394581 Sr\n0.196165 0.392330 0.894581 Sr\n0.333333 0.666667 0.327370 Sr\n0.279914 0.139957 0.786913 Cl\n0.139957 0.860043 0.286913 Cl\n0.466988 0.533012 0.606669 Cl\n0.933975 0.466988 0.106669 Cl\n0.466988 0.933975 0.606669 Cl\n0.066024 0.533012 0.606669 Cl\n0.533012 0.466988 0.106669 Cl\n0.860043 0.139957 0.786913 Cl\n0.720086 0.860043 0.286913 Cl\n0.139957 0.279914 0.286913 Cl\n0.860043 0.720086 0.786913 Cl\n0.533012 0.066024 0.106669 Cl\n0.333333 0.666667 -0.000411 O\n0.666667 0.333333 0.499589 O\n",
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],
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"volume": 560.6278472256689,
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"formula_full": "Sr8 Cl12 O2",
"formula_reduced": "Sr4Cl6O",
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"spacegroup": 186
},
{
"id": "jvasp-85870",
"created_at": "2022-09-04T14:35:43.475959Z",
"updated_at": "2022-09-04T14:35:43.475979Z",
"structure_string": "La1 Zn5\n1.0\n5.478040 -0.000000 0.000000\n-2.739020 4.744122 0.000000\n0.000000 -0.000000 4.261491\nLa Zn\n1 5\ndirect\n0.000000 0.000000 0.000000 La\n-0.000000 0.500000 0.500000 Zn\n0.333333 0.666667 0.000000 Zn\n0.666667 0.333333 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.500000 0.500000 0.500000 Zn\n",
"nsites": 6,
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"volume": 110.7497165832594,
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"formula_full": "La1 Zn5",
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"formula_anonymous": "AB5",
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"spacegroup": 191
},
{
"id": "jvasp-93209",
"created_at": "2022-09-04T14:35:42.005075Z",
"updated_at": "2022-09-04T14:35:42.005102Z",
"structure_string": "K1 Na1 Mg6\n1.0\n7.386756 0.536134 0.000000\n-3.229073 5.592917 0.000000\n0.000000 0.000000 5.276143\nK Na Mg\n1 1 6\ndirect\n0.128688 0.314343 0.250000 K\n0.165836 0.832917 0.250000 Na\n0.649509 0.329561 0.250000 Mg\n0.649509 0.819946 0.250000 Mg\n0.389335 0.194703 0.750000 Mg\n0.389336 0.694633 0.750000 Mg\n0.787731 0.143866 0.750000 Mg\n0.840058 0.670029 0.750000 Mg\n",
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"formula_full": "K1 Na1 Mg6",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-93180",
"created_at": "2022-09-04T14:35:42.597853Z",
"updated_at": "2022-09-04T14:35:42.597865Z",
"structure_string": "K1 Mg6 Sb1\n1.0\n7.509646 -0.591489 0.000000\n-4.267067 6.207799 0.000000\n0.000000 0.000000 4.980470\nK Mg Sb\n1 6 1\ndirect\n0.205415 0.294585 0.250000 K\n0.161164 0.797343 0.250000 Mg\n0.702657 0.338836 0.250000 Mg\n0.632149 0.867851 0.250000 Mg\n0.308786 0.679044 0.750000 Mg\n0.820956 0.191214 0.750000 Mg\n0.790167 0.709833 0.750000 Mg\n0.378707 0.121293 0.750000 Sb\n",
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"formula_full": "K1 Mg6 Sb1",
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},
{
"id": "jvasp-65671",
"created_at": "2022-09-04T14:35:41.906267Z",
"updated_at": "2022-09-04T14:35:41.906297Z",
"structure_string": "Ba1 Tl2 Bi1\n1.0\n4.244773 0.000000 0.000000\n0.000000 4.245448 0.000000\n0.000000 0.000000 7.552282\nBa Tl Bi\n1 2 1\ndirect\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.710909 Tl\n0.000000 0.000000 0.289091 Tl\n0.500000 0.500000 0.500000 Bi\n",
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},
{
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"created_at": "2022-09-04T14:35:47.541272Z",
"updated_at": "2022-09-04T14:35:47.541292Z",
"structure_string": "Mg6 V1 Cu1\n1.0\n6.132823 0.020690 0.000000\n-3.048495 5.280146 0.000000\n0.000000 0.000000 4.855058\nMg V Cu\n6 1 1\ndirect\n0.661468 0.333180 0.250000 Mg\n0.661469 0.828289 0.250000 Mg\n0.325521 0.161990 0.750000 Mg\n0.325521 0.663534 0.750000 Mg\n0.851460 0.175731 0.750000 Mg\n0.845529 0.672766 0.750000 Mg\n0.160765 0.830382 0.250000 V\n0.168268 0.334133 0.250000 Cu\n",
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