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{
"id": "jvasp-81731",
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"structure_string": "Sr1 Hg2 Pb1\n1.0\n-11.097574 -0.000001 -6.407187\n-7.125554 -1.338632 -0.472552\n-5.443340 3.419392 -3.386235\nSr Hg Pb\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Sr\n0.742635 -0.000001 -0.000000 Hg\n0.257366 -0.000000 -0.000000 Hg\n0.500000 -0.000001 -0.000000 Pb\n",
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{
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"structure_string": "Y2 Cu1 Pt1\n1.0\n-9.074350 0.000000 -5.239078\n-9.568772 -0.026233 6.095442\n-6.202008 9.496414 0.264036\nY Cu Pt\n2 1 1\ndirect\n0.739454 -0.000000 -0.000000 Y\n0.260546 -0.000000 -0.000000 Y\n0.000000 0.000000 0.000000 Cu\n0.500000 -0.000000 -0.000000 Pt\n",
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{
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"structure_string": "Sb2 Te1 Se2\n1.0\n4.053779 -0.017277 9.268967\n1.924353 3.567953 9.268967\n-0.029089 -0.017277 10.116622\nSb Te Se\n2 1 2\ndirect\n0.391894 0.391893 0.391895 Sb\n0.599603 0.599601 0.599604 Sb\n0.205782 0.205781 0.205782 Te\n0.996674 0.996671 0.996676 Se\n0.776947 0.776945 0.776949 Se\n",
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"formula_full": "Sb2 Te1 Se2",
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"spacegroup": 160
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{
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"created_at": "2022-09-04T14:37:06.452179Z",
"updated_at": "2022-09-04T14:37:06.452194Z",
"structure_string": "Ba2 Zn1 Ag1\n1.0\n-11.318086 0.000000 -6.534500\n-7.636500 0.402731 0.157806\n-6.508045 3.594485 -1.796737\nBa Zn Ag\n2 1 1\ndirect\n0.745435 0.000000 -0.000000 Ba\n0.254565 0.000000 -0.000000 Ba\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 -0.000000 Ag\n",
"nsites": 4,
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"density_atomic": 0.02261800707571753,
"volume": 176.85024089917988,
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"formula_full": "Ba2 Zn1 Ag1",
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{
"id": "jvasp-81744",
"created_at": "2022-09-04T14:37:15.064700Z",
"updated_at": "2022-09-04T14:37:15.064719Z",
"structure_string": "Ca2 Mg1 Ga1\n1.0\n-12.390894 3.917046 -0.757378\n-8.869636 1.196784 2.151097\n-7.334564 5.538622 -0.507725\nCa Mg Ga\n2 1 1\ndirect\n0.749902 0.000039 0.000041 Ca\n0.250098 -0.000040 -0.000039 Ca\n0.000000 0.000000 0.000000 Mg\n0.500000 -0.000000 0.000001 Ga\n",
"nsites": 4,
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"formula_full": "Ca2 Mg1 Ga1",
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{
"id": "jvasp-81748",
"created_at": "2022-09-04T14:37:15.134496Z",
"updated_at": "2022-09-04T14:37:15.134522Z",
"structure_string": "Mn1 Be2 Os1\n1.0\n-7.629563 0.000000 -4.404930\n-4.955304 -0.976512 -0.227022\n-3.734623 2.476093 -2.341303\nMn Be Os\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.756640 -0.000001 -0.000000 Be\n0.243360 -0.000000 -0.000000 Be\n0.500000 -0.000000 -0.000000 Os\n",
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{
"id": "jvasp-8175",
"created_at": "2022-09-04T14:36:54.334007Z",
"updated_at": "2022-09-04T14:36:54.334035Z",
"structure_string": "Ca2 Si1 O4\n1.0\n3.446938 -0.000000 -1.007575\n-0.294524 3.434332 -1.007575\n-0.005180 -0.005644 6.382094\nCa Si O\n2 1 4\ndirect\n0.646694 0.646693 0.293386 Ca\n0.353308 0.353308 0.706613 Ca\n0.000000 0.000000 0.000000 Si\n0.500000 -0.000000 -0.000000 O\n0.000001 0.500000 -0.000000 O\n0.843998 0.843996 0.687991 O\n0.156004 0.156004 0.312008 O\n",
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"created_at": "2022-09-04T14:37:15.824441Z",
"updated_at": "2022-09-04T14:37:15.824465Z",
"structure_string": "Li1 Ca2 Ag1\n1.0\n-15.137091 0.006375 -8.744609\n-8.860040 -0.440716 -2.131218\n-7.792183 2.589812 -3.989105\nLi Ca Ag\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.668549 0.999517 0.000479 Ca\n0.331452 0.000483 0.999517 Ca\n0.500001 -0.000000 -0.000001 Ag\n",
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"formula_full": "Li1 Ca2 Ag1",
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{
"id": "jvasp-81752",
"created_at": "2022-09-04T14:37:06.724683Z",
"updated_at": "2022-09-04T14:37:06.724717Z",
"structure_string": "Al2 Tc1 Au1\n1.0\n-10.517770 1.996494 -2.812175\n-3.075649 0.678158 -3.362285\n-3.853336 -1.521469 -2.015294\nAl Tc Au\n2 1 1\ndirect\n0.762944 -0.014223 -0.014220 Al\n0.237056 0.014220 0.014221 Al\n0.000000 0.000000 0.000000 Tc\n0.500000 -0.000001 0.000001 Au\n",
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"formula_full": "Al2 Tc1 Au1",
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{
"id": "jvasp-81754",
"created_at": "2022-09-04T14:37:06.802047Z",
"updated_at": "2022-09-04T14:37:06.802069Z",
"structure_string": "Sr1 Sn1 Hg2\n1.0\n-12.303764 4.651628 0.492498\n-8.555450 1.628418 3.007001\n-7.029139 5.945476 0.363354\nSr Sn Hg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Sr\n0.499999 0.000000 0.000001 Sn\n0.746572 0.002586 0.002587 Hg\n0.253427 -0.002586 -0.002585 Hg\n",
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{
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"created_at": "2022-09-04T14:37:15.962840Z",
"updated_at": "2022-09-04T14:37:15.962870Z",
"structure_string": "Hf2 Tc1 Pd1\n1.0\n-10.866759 2.654618 -1.907945\n-7.943533 0.571418 1.021129\n-6.610428 4.373552 -1.284936\nHf Tc Pd\n2 1 1\ndirect\n0.749542 0.000318 0.000326 Hf\n0.250456 -0.000316 -0.000325 Hf\n0.000000 -0.000000 -0.000000 Tc\n0.499999 0.000001 0.000001 Pd\n",
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{
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"structure_string": "Li2 Rh1 Au1\n1.0\n-8.232542 0.000000 -4.753060\n-5.480876 0.176012 -0.012965\n-4.654112 2.514454 -1.444962\nLi Rh Au\n2 1 1\ndirect\n0.755055 -0.000000 -0.000000 Li\n0.244945 -0.000000 -0.000000 Li\n0.000000 0.000000 0.000000 Rh\n0.500000 -0.000000 -0.000000 Au\n",
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}
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