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{
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{
"id": "jvasp-65001",
"created_at": "2022-09-04T14:36:14.099185Z",
"updated_at": "2022-09-04T14:36:14.099208Z",
"structure_string": "Be1 Fe4 Ir1\n1.0\n-0.000000 3.289243 3.289243\n3.289243 0.000000 3.289243\n3.289243 3.289243 -0.000000\nBe Fe Ir\n1 4 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.374871 0.374871 0.374871 Fe\n0.374871 0.875386 0.374871 Fe\n0.374871 0.374871 0.875386 Fe\n0.875386 0.374871 0.374871 Fe\n0.749999 0.749999 0.749999 Ir\n",
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{
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"structure_string": "K4 Hg24\n1.0\n5.434751 0.000000 0.000000\n0.000000 10.710299 0.000000\n-0.000000 -0.000000 14.312466\nK Hg\n4 24\ndirect\n0.250000 0.147308 0.825130 K\n0.250000 0.352692 0.325130 K\n0.750000 0.852692 0.174870 K\n0.750000 0.647308 0.674870 K\n0.250000 0.597584 0.493208 Hg\n0.250000 0.902416 -0.006792 Hg\n0.750000 0.006627 0.638467 Hg\n0.750000 0.493373 0.138467 Hg\n0.250000 -0.006627 0.361533 Hg\n0.250000 0.506627 0.861533 Hg\n0.750000 0.282041 0.706262 Hg\n0.750000 0.217959 0.206262 Hg\n0.250000 0.717959 0.293738 Hg\n0.250000 0.782041 0.793738 Hg\n0.750000 0.917132 0.843755 Hg\n0.250000 0.082868 0.156246 Hg\n0.750000 0.097584 0.006792 Hg\n0.250000 0.417132 0.656246 Hg\n0.750000 0.357284 0.917963 Hg\n0.750000 0.142716 0.417963 Hg\n0.250000 0.642717 0.082037 Hg\n0.250000 0.857284 0.582038 Hg\n0.750000 0.654630 0.944079 Hg\n0.750000 0.845370 0.444079 Hg\n0.250000 0.345370 0.055921 Hg\n0.250000 0.154630 0.555921 Hg\n0.750000 0.582868 0.343754 Hg\n0.750000 0.402416 0.506792 Hg\n",
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{
"id": "jvasp-41478",
"created_at": "2022-09-04T14:37:40.190469Z",
"updated_at": "2022-09-04T14:37:40.190494Z",
"structure_string": "U1 Tl1 O3\n1.0\n4.347907 0.000000 0.000000\n-0.000000 4.347907 0.000000\n0.000000 0.000000 4.347907\nU Tl O\n1 1 3\ndirect\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
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"elements": [
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"O"
],
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"density": 9.907590305234,
"density_atomic": 0.06083160370836075,
"volume": 82.19411778080077,
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"formula_full": "U1 Tl1 O3",
"formula_reduced": "UTlO3",
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"spacegroup": 221
},
{
"id": "jvasp-79996",
"created_at": "2022-09-04T14:37:18.913879Z",
"updated_at": "2022-09-04T14:37:18.913911Z",
"structure_string": "Li2 Tl1 Au1\n1.0\n0.000000 3.264599 3.264599\n3.264599 0.000000 3.264599\n3.264599 3.264599 -0.000000\nLi Tl Au\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.749999 0.749999 0.749999 Tl\n0.250000 0.250000 0.250000 Au\n",
"nsites": 4,
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"volume": 69.58562389861262,
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"formula_full": "Li2 Tl1 Au1",
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{
"id": "jvasp-106093",
"created_at": "2022-09-04T14:36:07.054215Z",
"updated_at": "2022-09-04T14:36:07.054237Z",
"structure_string": "Dy1 Er1 Mn4\n1.0\n4.389576 0.000000 2.534323\n1.463192 4.138533 2.534323\n0.000000 0.000000 5.068647\nDy Er Mn\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Dy\n0.000000 0.000000 0.000000 Er\n0.625068 0.625067 0.124796 Mn\n0.625068 0.124797 0.625067 Mn\n0.124797 0.625067 0.625067 Mn\n0.625068 0.625067 0.625067 Mn\n",
"nsites": 6,
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"volume": 92.07909487313695,
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{
"id": "jvasp-120459",
"created_at": "2022-09-04T14:38:38.516310Z",
"updated_at": "2022-09-04T14:38:38.516330Z",
"structure_string": "Ti6 Ga16 Os7\n1.0\n7.493935 0.000000 4.326626\n2.497978 7.065350 4.326626\n0.000000 -0.000000 8.653251\nTi Ga Os\n6 16 7\ndirect\n0.788332 0.788332 0.211669 Ti\n0.211669 0.788332 0.211669 Ti\n0.788332 0.211668 0.211668 Ti\n0.211668 0.211668 0.788332 Ti\n0.788332 0.211668 0.788332 Ti\n0.211669 0.788332 0.788332 Ti\n0.377111 0.377111 0.377111 Ga\n0.868669 0.377111 0.377111 Ga\n0.377111 0.868668 0.377111 Ga\n0.377111 0.377111 0.868668 Ga\n0.622890 0.622889 0.622889 Ga\n0.131332 0.622889 0.622889 Ga\n0.622890 0.131332 0.622889 Ga\n0.622890 0.622889 0.131332 Ga\n0.559027 0.146991 0.146991 Ga\n0.146991 0.559027 0.146991 Ga\n0.146991 0.146991 0.559027 Ga\n0.853010 0.853009 0.853009 Ga\n0.440974 0.853009 0.853009 Ga\n0.853010 0.440973 0.853009 Ga\n0.853010 0.853009 0.440974 Ga\n0.146991 0.146991 0.146991 Ga\n0.000000 0.500000 0.000000 Os\n0.000000 0.000000 0.000000 Os\n0.000000 0.000000 0.500000 Os\n0.500000 0.000000 0.500000 Os\n0.000000 0.500000 0.500000 Os\n0.500000 0.500000 0.000000 Os\n0.500000 0.000000 0.000000 Os\n",
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],
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"density_atomic": 0.06329582928206648,
"volume": 458.1660486786059,
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"formula_full": "Ti6 Ga16 Os7",
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{
"id": "jvasp-39566",
"created_at": "2022-09-04T14:37:40.291510Z",
"updated_at": "2022-09-04T14:37:40.291536Z",
"structure_string": "Tl3 H1\n1.0\n0.000000 3.719367 3.719367\n3.719367 -0.000000 3.719367\n3.719367 3.719367 -0.000000\nTl H\n3 1\ndirect\n0.000000 0.000000 0.000000 Tl\n0.499999 0.499999 0.499999 Tl\n0.250001 0.250001 0.250001 Tl\n0.750001 0.750001 0.750001 H\n",
"nsites": 4,
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"formula_full": "Tl3 H1",
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"spacegroup": 225
},
{
"id": "jvasp-69504",
"created_at": "2022-09-04T14:35:50.866697Z",
"updated_at": "2022-09-04T14:35:50.866715Z",
"structure_string": "Be2 Mo1 W1\n1.0\n-1.754297 1.754297 4.053336\n1.754297 -1.754297 4.053336\n1.754297 1.754297 -4.053336\nBe Mo W\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Be\n0.250000 0.750001 0.500001 Be\n0.500001 0.500001 0.000000 Mo\n0.750001 0.250000 0.500001 W\n",
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{
"id": "jvasp-80716",
"created_at": "2022-09-04T14:37:13.373458Z",
"updated_at": "2022-09-04T14:37:13.373485Z",
"structure_string": "Na1 Hg2 Pd1\n1.0\n-11.903757 2.082643 -3.471701\n-7.649070 -0.176512 0.458295\n-6.158718 4.038843 -2.123072\nNa Hg Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.629446 0.080431 0.080430 Hg\n0.370555 0.919568 0.919568 Hg\n0.500000 0.000000 -0.000000 Pd\n",
"nsites": 4,
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{
"id": "jvasp-41194",
"created_at": "2022-09-04T14:37:35.236004Z",
"updated_at": "2022-09-04T14:37:35.236014Z",
"structure_string": "Zr1 Sn1 Rh2\n1.0\n-0.000005 3.265718 3.265720\n3.265726 -0.000007 3.265722\n3.265724 3.265718 -0.000005\nZr Sn Rh\n1 1 2\ndirect\n0.750000 0.750001 0.750000 Zr\n0.250001 0.250000 0.250000 Sn\n0.999998 0.000000 0.000001 Rh\n0.500001 0.500000 0.500001 Rh\n",
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{
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"created_at": "2022-09-04T14:38:00.030112Z",
"updated_at": "2022-09-04T14:38:00.030123Z",
"structure_string": "U2 Sb4 Pd1\n1.0\n4.403756 0.000000 0.000000\n0.000000 4.403756 0.000000\n0.000000 0.000000 9.239766\nU Sb Pd\n2 4 1\ndirect\n0.500000 -0.000000 0.764987 U\n-0.000000 0.500000 0.235013 U\n0.500000 -0.000000 0.165436 Sb\n-0.000000 0.500000 0.834564 Sb\n0.500000 0.500000 0.500000 Sb\n0.000000 0.000000 0.500000 Sb\n0.500000 0.500000 -0.000000 Pd\n",
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{
"id": "jvasp-38404",
"created_at": "2022-09-04T14:38:07.365939Z",
"updated_at": "2022-09-04T14:38:07.365966Z",
"structure_string": "Pr2 Ni1 Ir1\n1.0\n-0.000000 3.547013 3.547013\n3.547013 0.000000 3.547013\n3.547013 3.547013 -0.000000\nPr Ni Ir\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Pr\n0.499999 0.499999 0.499999 Pr\n0.749999 0.749999 0.749999 Ni\n0.250000 0.250000 0.250000 Ir\n",
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}