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{
"id": "jvasp-80248",
"created_at": "2022-09-04T14:37:16.187015Z",
"updated_at": "2022-09-04T14:37:16.187041Z",
"structure_string": "Mg1 Cd1 Hg2\n1.0\n-10.356514 -0.013557 -5.968267\n-6.746892 0.235082 -0.272793\n-5.811907 2.865864 -1.881002\nMg Cd Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000001 -0.000000 Cd\n0.756370 -0.000143 0.000142 Hg\n0.243631 0.000142 -0.000142 Hg\n",
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{
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"structure_string": "K4 Zn2 O4\n1.0\n4.964505 -0.000000 -2.223798\n-1.213742 5.214590 -2.709610\n-0.023366 -0.027839 6.601224\nK Zn O\n4 2 4\ndirect\n0.347385 0.213554 0.694771 K\n0.652614 0.786445 0.305228 K\n0.847385 0.481217 0.694770 K\n0.152614 0.518783 0.305228 K\n0.749999 -0.000000 -0.000000 Zn\n0.250000 -0.000000 -0.000000 Zn\n0.403794 0.715559 0.807587 O\n0.596205 0.284441 0.192412 O\n0.096206 0.907970 0.192412 O\n0.903793 0.092030 0.807586 O\n",
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{
"id": "jvasp-79382",
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"updated_at": "2022-09-04T14:37:16.232957Z",
"structure_string": "Yb1 Tm1 Hg2\n1.0\n0.000000 3.660716 3.660716\n3.660716 -0.000000 3.660716\n3.660716 3.660716 0.000000\nYb Tm Hg\n1 1 2\ndirect\n0.750001 0.750001 0.750001 Yb\n0.250000 0.250000 0.250000 Tm\n0.000000 0.000000 0.000000 Hg\n0.500002 0.500002 0.500002 Hg\n",
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},
{
"id": "jvasp-8715",
"created_at": "2022-09-04T14:37:10.376688Z",
"updated_at": "2022-09-04T14:37:10.376704Z",
"structure_string": "Ca6 Zn2\n1.0\n4.038928 0.000000 0.000000\n-2.019464 6.601962 0.000000\n0.000000 0.000000 9.958762\nCa Zn\n6 2\ndirect\n0.432033 0.864065 0.750000 Ca\n0.567968 0.135935 0.250000 Ca\n0.142413 0.284826 0.938145 Ca\n0.857588 0.715174 0.061855 Ca\n0.857588 0.715174 0.438145 Ca\n0.142413 0.284826 0.561855 Ca\n0.755468 0.510935 0.750000 Zn\n0.244533 0.489065 0.250000 Zn\n",
"nsites": 8,
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"elements": [
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],
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"volume": 265.5488867170098,
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"formula_full": "Ca6 Zn2",
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"spacegroup": 63
},
{
"id": "jvasp-21829",
"created_at": "2022-09-04T14:37:32.783963Z",
"updated_at": "2022-09-04T14:37:32.783996Z",
"structure_string": "Li2 Ca2 Ga2 F12\n1.0\n2.557848 -4.430322 0.000000\n2.557848 4.430322 0.000000\n-0.000000 -0.000000 9.803389\nLi Ca Ga F\n2 2 2 12\ndirect\n0.333333 0.666667 0.750000 Li\n0.666667 0.333333 0.250000 Li\n0.000000 0.000000 0.000000 Ca\n0.000000 0.000000 0.500000 Ca\n0.666667 0.333333 0.750000 Ga\n0.333333 0.666667 0.250000 Ga\n0.985647 0.350947 0.639749 F\n0.350947 0.985647 0.139749 F\n0.365300 0.014354 0.639749 F\n0.365300 0.350947 0.860251 F\n0.649053 0.014354 0.860251 F\n0.634701 0.985647 0.360251 F\n0.350947 0.365300 0.360251 F\n0.014354 0.365300 0.139749 F\n0.014354 0.649053 0.360251 F\n0.985647 0.634701 0.860251 F\n0.649054 0.634700 0.639749 F\n0.634700 0.649054 0.139749 F\n",
"nsites": 18,
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"elements": [
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],
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"volume": 222.18577814212767,
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"formula_full": "Li2 Ca2 Ga2 F12",
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{
"id": "jvasp-80998",
"created_at": "2022-09-04T14:37:16.519229Z",
"updated_at": "2022-09-04T14:37:16.519244Z",
"structure_string": "Na1 In2 Sn1\n1.0\n-12.007986 3.502923 -5.281526\n-7.529144 0.450169 0.047815\n-6.645390 4.928502 -3.516371\nNa In Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.749154 0.002380 0.998397 In\n0.250847 -0.002380 0.001600 In\n0.500001 -0.000000 -0.000001 Sn\n",
"nsites": 4,
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},
{
"id": "jvasp-9709",
"created_at": "2022-09-04T14:37:16.104445Z",
"updated_at": "2022-09-04T14:37:16.104472Z",
"structure_string": "K2 Au2 F8\n1.0\n5.465359 -0.000000 -2.545646\n-1.185707 5.335189 -2.545646\n-0.011315 -0.014105 7.115438\nK Au F\n2 2 8\ndirect\n0.250000 0.250000 0.500000 K\n0.750000 0.750000 0.499999 K\n-0.000000 0.500000 -0.000000 Au\n0.500000 -0.000000 -0.000000 Au\n0.956540 0.456540 0.240433 F\n0.716107 0.216106 0.759566 F\n0.043460 0.543459 0.759566 F\n0.216107 0.043459 0.759566 F\n0.283893 0.783893 0.240433 F\n0.456540 0.283893 0.240434 F\n0.783893 0.956540 0.240433 F\n0.543460 0.716106 0.759566 F\n",
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"volume": 207.08459709849754,
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"formula_full": "K2 Au2 F8",
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"formula_anonymous": "ABC4",
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"spacegroup": 140
},
{
"id": "jvasp-100924",
"created_at": "2022-09-04T14:37:10.402409Z",
"updated_at": "2022-09-04T14:37:10.402440Z",
"structure_string": "Na2 Li1 Dy1 Cl6\n1.0\n6.208280 -0.000000 3.584352\n2.069427 5.853222 3.584352\n-0.000000 -0.000000 7.168704\nNa Li Dy Cl\n2 1 1 6\ndirect\n0.750001 0.750000 0.749999 Na\n0.250000 0.250000 0.250000 Na\n0.500000 0.500000 0.499999 Li\n0.000000 0.000000 0.000000 Dy\n0.743678 0.256322 0.256321 Cl\n0.256322 0.256322 0.743678 Cl\n0.256322 0.743678 0.743677 Cl\n0.256322 0.743678 0.256321 Cl\n0.743678 0.256322 0.743677 Cl\n0.743679 0.743678 0.256321 Cl\n",
"nsites": 10,
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],
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"density_atomic": 0.03838778549888714,
"volume": 260.4995279107699,
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"formula_full": "Na2 Li1 Dy1 Cl6",
"formula_reduced": "Na2LiDyCl6",
"formula_anonymous": "ABC2D6",
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"spacegroup": 225
},
{
"id": "jvasp-82128",
"created_at": "2022-09-04T14:37:16.321840Z",
"updated_at": "2022-09-04T14:37:16.321871Z",
"structure_string": "In2 Cl2\n1.0\n4.068352 0.000000 -1.400808\n-0.000000 4.504202 0.000000\n-0.039296 -0.000000 6.494117\nIn Cl\n2 2\ndirect\n0.611163 0.242059 0.222327 In\n0.388835 0.742059 0.777673 In\n0.846357 0.241941 0.692716 Cl\n0.153641 0.741941 0.307284 Cl\n",
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"spacegroup": 63
},
{
"id": "jvasp-54897",
"created_at": "2022-09-04T14:37:27.617709Z",
"updated_at": "2022-09-04T14:37:27.617738Z",
"structure_string": "Zn3 Te3\n1.0\n2.179218 -3.774520 0.000000\n2.179221 3.774518 -0.000000\n0.000000 0.000000 10.674706\nZn Te\n3 3\ndirect\n0.333477 0.000029 0.693338 Zn\n0.666552 0.666523 0.360005 Zn\n-0.000029 0.333448 0.026672 Zn\n0.333271 -0.000106 0.443329 Te\n0.000106 0.333376 0.776662 Te\n0.666623 0.666729 0.109995 Te\n",
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},
{
"id": "jvasp-30637",
"created_at": "2022-09-04T14:37:27.654710Z",
"updated_at": "2022-09-04T14:37:27.654729Z",
"structure_string": "Y1 Sn1 F5\n1.0\n4.054647 -0.000000 1.491060\n1.642757 5.623023 1.791287\n0.049163 0.103610 6.124752\nY Sn F\n1 1 5\ndirect\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Sn\n0.500001 0.806078 0.193922 F\n0.500000 0.193922 0.806078 F\n0.743028 0.256972 0.256972 F\n0.256972 0.743027 0.743028 F\n0.000000 0.500000 0.500000 F\n",
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},
{
"id": "jvasp-36191",
"created_at": "2022-09-04T14:37:16.020742Z",
"updated_at": "2022-09-04T14:37:16.020761Z",
"structure_string": "Ba1 Ga1 Cu2\n1.0\n-2.157217 -3.736409 -0.000000\n-4.314433 -0.000000 -0.000000\n-2.157217 -1.245469 -5.643446\nBa Ga Cu\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ga\n0.810971 0.810971 0.567088 Cu\n0.189029 0.189030 0.432912 Cu\n",
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}
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}