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{
"id": "jvasp-15780",
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{
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{
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"structure_string": "Ba1 Na1 Zn1\n1.0\n0.000000 3.999788 3.999788\n3.999788 0.000000 3.999788\n3.999788 3.999788 -0.000000\nBa Na Zn\n1 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 Na\n0.500000 0.500000 0.500000 Zn\n",
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{
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"updated_at": "2022-09-04T14:35:47.315865Z",
"structure_string": "Li1 Mg6 Sb1\n1.0\n6.372989 0.023311 0.000000\n-3.166308 5.530825 0.000000\n0.000000 0.000000 5.073898\nLi Mg Sb\n1 6 1\ndirect\n0.166690 0.333310 0.250000 Li\n0.163104 0.821549 0.250000 Mg\n0.678451 0.336896 0.250000 Mg\n0.664122 0.835879 0.250000 Mg\n0.332910 0.663809 0.750000 Mg\n0.836192 0.167090 0.750000 Mg\n0.831604 0.668396 0.750000 Mg\n0.326924 0.173076 0.750000 Sb\n",
"nsites": 8,
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"spacegroup": 38
},
{
"id": "jvasp-88080",
"created_at": "2022-09-04T14:35:44.842419Z",
"updated_at": "2022-09-04T14:35:44.842451Z",
"structure_string": "Ba8 Br12 O2\n1.0\n10.412649 0.000000 0.000000\n-5.206325 9.017619 -0.000000\n0.000000 -0.000000 7.902812\nBa Br O\n8 12 2\ndirect\n0.198366 0.801634 -0.000917 Ba\n0.333333 0.666667 0.420931 Ba\n0.603268 0.801634 -0.000917 Ba\n0.801634 0.198366 0.499083 Ba\n0.396732 0.198366 0.499083 Ba\n0.801634 0.603268 0.499083 Ba\n0.666667 0.333333 0.920930 Ba\n0.198366 0.396732 -0.000917 Ba\n0.940378 0.470189 0.207818 Br\n0.470189 0.529811 0.707818 Br\n0.529811 0.059622 0.207818 Br\n0.141650 0.858349 0.394846 Br\n0.470189 0.940378 0.707818 Br\n0.059621 0.529811 0.707818 Br\n0.141650 0.283301 0.394846 Br\n0.858349 0.716699 0.894846 Br\n0.283301 0.141651 0.894846 Br\n0.529811 0.470189 0.207818 Br\n0.716699 0.858349 0.394846 Br\n0.858349 0.141651 0.894846 Br\n0.333333 0.666667 0.099395 O\n0.666667 0.333333 0.599395 O\n",
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{
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"structure_string": "Na1 I1\n1.0\n3.937125 0.000000 2.273100\n1.312375 3.711957 2.273100\n0.000000 0.000000 4.546201\nNa I\n1 1\ndirect\n0.000000 0.000000 0.000000 Na\n0.500001 0.500000 0.499999 I\n",
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{
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"created_at": "2022-09-04T14:35:43.978087Z",
"updated_at": "2022-09-04T14:35:43.978111Z",
"structure_string": "Ba4 Mg1 In1\n1.0\n0.000000 5.125451 5.125451\n5.125451 -0.000000 5.125451\n5.125451 5.125451 -0.000000\nBa Mg In\n4 1 1\ndirect\n0.126988 0.624337 0.624337 Ba\n0.624337 0.624337 0.624337 Ba\n0.624337 0.126988 0.624337 Ba\n0.624337 0.624337 0.126988 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 In\n",
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"density": 4.245054421538064,
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"volume": 269.2937372860142,
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"formula_full": "Ba4 Mg1 In1",
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{
"id": "jvasp-64580",
"created_at": "2022-09-04T14:35:41.256367Z",
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"structure_string": "Ba4 Zn1 Cu1\n1.0\n-0.000000 5.017720 5.017720\n5.017720 0.000000 5.017720\n5.017720 5.017720 -0.000000\nBa Zn Cu\n4 1 1\ndirect\n0.125240 0.624920 0.624920 Ba\n0.624920 0.624920 0.624920 Ba\n0.624920 0.125240 0.624920 Ba\n0.624920 0.624920 0.125240 Ba\n0.000000 0.000000 0.000000 Zn\n0.250000 0.250000 0.250000 Cu\n",
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{
"id": "jvasp-64427",
"created_at": "2022-09-04T14:35:42.067231Z",
"updated_at": "2022-09-04T14:35:42.067256Z",
"structure_string": "Ba4 Mg1 Bi1\n1.0\n0.000000 5.111267 5.111267\n5.111267 -0.000000 5.111267\n5.111267 5.111267 0.000000\nBa Mg Bi\n4 1 1\ndirect\n0.129284 0.623572 0.623572 Ba\n0.623572 0.623572 0.623572 Ba\n0.623572 0.129284 0.623572 Ba\n0.623572 0.623572 0.129284 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Bi\n",
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{
"id": "jvasp-69205",
"created_at": "2022-09-04T14:35:45.239576Z",
"updated_at": "2022-09-04T14:35:45.239590Z",
"structure_string": "Ba2 Tl1 Sn1\n1.0\n0.000000 4.244435 4.244435\n4.244435 -0.000000 4.244435\n4.244435 4.244435 0.000000\nBa Tl Sn\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750001 0.750001 0.750001 Ba\n0.500001 0.500001 0.500001 Tl\n0.000000 0.000000 0.000000 Sn\n",
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{
"id": "jvasp-64655",
"created_at": "2022-09-04T14:35:41.499324Z",
"updated_at": "2022-09-04T14:35:41.499350Z",
"structure_string": "Ba4 Cu1 Hg1\n1.0\n-0.000000 5.005448 5.005448\n5.005448 0.000000 5.005448\n5.005448 5.005448 0.000000\nBa Cu Hg\n4 1 1\ndirect\n0.124920 0.625027 0.625027 Ba\n0.625027 0.625027 0.625027 Ba\n0.625027 0.124920 0.625027 Ba\n0.625027 0.625027 0.124920 Ba\n0.250000 0.250000 0.250000 Cu\n0.000000 0.000000 0.000000 Hg\n",
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{
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"structure_string": "Er2 Cd4 Cu2\n1.0\n4.594454 0.000000 0.000000\n-0.000000 5.789575 -2.439581\n0.000000 -0.017814 6.282550\nEr Cd Cu\n2 4 2\ndirect\n0.250000 0.859324 0.140677 Er\n0.749999 0.140677 0.859324 Er\n0.749999 0.194934 0.386231 Cd\n0.250000 0.805067 0.613770 Cd\n0.749999 0.613770 0.805067 Cd\n0.250000 0.386231 0.194934 Cd\n0.749999 0.679994 0.320007 Cu\n0.250000 0.320008 0.679994 Cu\n",
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