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{
"id": "jvasp-91355",
"created_at": "2022-09-04T14:35:49.570612Z",
"updated_at": "2022-09-04T14:35:49.570645Z",
"structure_string": "Tl8 Pb2 I12\n1.0\n4.593668 0.000000 0.000000\n0.000000 9.938296 0.000000\n0.000000 0.000000 19.209729\nTl Pb I\n8 2 12\ndirect\n0.500000 0.893653 0.580136 Tl\n0.500000 0.106347 0.419864 Tl\n0.500000 0.707252 0.795529 Tl\n0.500000 0.292749 0.204471 Tl\n0.500000 0.207251 0.704471 Tl\n0.500000 0.792749 0.295529 Tl\n0.500000 0.606347 0.080136 Tl\n0.500000 0.393653 0.919865 Tl\n0.000000 0.500000 0.500000 Pb\n0.000000 0.000000 0.000000 Pb\n0.000000 0.306101 0.054633 I\n0.000000 0.591154 0.213850 I\n0.000000 0.806101 0.445367 I\n0.500000 0.058993 0.883497 I\n0.500000 0.941008 0.116503 I\n0.500000 0.558993 0.616503 I\n0.500000 0.441007 0.383497 I\n0.000000 0.908847 0.713850 I\n0.000000 0.091153 0.286150 I\n0.000000 0.408847 0.786151 I\n0.000000 0.193899 0.554633 I\n0.000000 0.693900 0.945367 I\n",
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{
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"structure_string": "Na1 Mg2 Be1\n1.0\n-2.383685 2.383685 3.371404\n2.383685 -2.383685 3.371404\n2.383685 2.383685 -3.371404\nNa Mg Be\n1 2 1\ndirect\n0.250000 0.750001 0.500001 Na\n0.000000 0.000000 0.000000 Mg\n0.499999 0.499999 0.000000 Mg\n0.750001 0.250000 0.500001 Be\n",
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{
"id": "jvasp-18822",
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"updated_at": "2022-09-04T14:35:49.489891Z",
"structure_string": "Zn2 Ag1 Au1\n1.0\n3.894898 0.000000 2.248720\n1.298299 3.672144 2.248720\n0.000000 -0.000000 4.497440\nZn Ag Au\n2 1 1\ndirect\n0.750001 0.749999 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.000000 0.000000 0.000000 Ag\n0.500001 0.499999 0.500000 Au\n",
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"volume": 64.32520372252144,
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},
{
"id": "jvasp-50415",
"created_at": "2022-09-04T14:36:06.940164Z",
"updated_at": "2022-09-04T14:36:06.940196Z",
"structure_string": "Ba3 Sr1 I8\n1.0\n0.000000 8.203170 0.000000\n4.101586 -4.101586 8.200495\n8.203170 0.000000 -0.000000\nBa Sr I\n3 1 8\ndirect\n0.250000 0.500000 0.250000 Ba\n0.500000 0.000000 0.500000 Ba\n0.750000 0.500000 0.750000 Ba\n0.000000 0.000000 0.000000 Sr\n0.877379 0.245835 0.122621 I\n0.368456 0.245835 0.122621 I\n0.631543 0.754165 0.368457 I\n0.122620 0.754165 0.368457 I\n0.877379 0.245835 0.631544 I\n0.368456 0.245835 0.631544 I\n0.122620 0.754165 0.877380 I\n0.631543 0.754165 0.877380 I\n",
"nsites": 12,
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"elements": [
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{
"id": "jvasp-91979",
"created_at": "2022-09-04T14:36:08.609538Z",
"updated_at": "2022-09-04T14:36:08.609564Z",
"structure_string": "Zn7 Mo1\n1.0\n3.912508 3.912507 0.000004\n0.000003 3.912508 3.912507\n3.912510 0.000002 3.912508\nZn Mo\n7 1\ndirect\n0.500001 -0.000000 -0.000000 Zn\n0.500000 0.500000 -0.000000 Zn\n0.500000 -0.000000 0.500000 Zn\n-0.000001 0.500000 0.500000 Zn\n-0.000000 0.000000 0.500000 Zn\n-0.000000 0.500000 -0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.000000 0.000000 0.000000 Mo\n",
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{
"id": "jvasp-90704",
"created_at": "2022-09-04T14:36:07.076341Z",
"updated_at": "2022-09-04T14:36:07.076366Z",
"structure_string": "K4 Bi2 Au2\n1.0\n0.000000 -0.000000 6.740248\n5.321164 3.921546 0.000000\n-5.321164 3.921546 0.000000\nK Bi Au\n4 2 2\ndirect\n0.250000 0.855217 0.512501 K\n0.750000 0.487500 0.144784 K\n0.750000 0.144784 0.487500 K\n0.250000 0.512501 0.855217 K\n0.250000 0.283227 0.283227 Bi\n0.750000 0.716774 0.716774 Bi\n0.500000 0.000000 0.000000 Au\n0.000000 0.000000 0.000000 Au\n",
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{
"id": "jvasp-93161",
"created_at": "2022-09-04T14:35:49.524879Z",
"updated_at": "2022-09-04T14:35:49.524907Z",
"structure_string": "Li1 Mg6 Ga1\n1.0\n6.256828 0.000131 0.000000\n-3.128300 5.418375 0.000000\n0.000000 0.000000 4.996591\nLi Mg Ga\n1 6 1\ndirect\n0.166120 0.333059 0.250000 Li\n0.668869 0.332871 0.250000 Mg\n0.668869 0.835997 0.250000 Mg\n0.327156 0.163860 0.750000 Mg\n0.327156 0.663296 0.750000 Mg\n0.836197 0.168098 0.750000 Mg\n0.835704 0.667852 0.750000 Mg\n0.169928 0.834963 0.250000 Ga\n",
"nsites": 8,
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"volume": 169.39567833799387,
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"formula_full": "Li1 Mg6 Ga1",
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"formula_anonymous": "ABC6",
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"spacegroup": 38
},
{
"id": "jvasp-91734",
"created_at": "2022-09-04T14:35:49.360265Z",
"updated_at": "2022-09-04T14:35:49.360297Z",
"structure_string": "Na4 Mg2 Pb2\n1.0\n-2.560589 -4.434920 0.000000\n-2.560589 4.434920 -0.000000\n0.000000 0.000000 -10.116342\nNa Mg Pb\n4 2 2\ndirect\n0.666675 0.333326 0.078895 Na\n0.333326 0.666675 0.921104 Na\n0.333326 0.666675 0.578895 Na\n0.666675 0.333326 0.421105 Na\n-0.000012 0.000012 0.750000 Mg\n0.000012 -0.000012 0.250000 Mg\n0.666655 0.333346 0.750000 Pb\n0.333346 0.666655 0.250000 Pb\n",
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"formula_full": "Na4 Mg2 Pb2",
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{
"id": "jvasp-90460",
"created_at": "2022-09-04T14:35:49.278875Z",
"updated_at": "2022-09-04T14:35:49.278895Z",
"structure_string": "Sr1 Hf1 Mg6\n1.0\n6.359079 -1.702624 0.000000\n-4.654055 8.061061 0.000000\n0.000000 0.000000 4.664325\nSr Hf Mg\n1 1 6\ndirect\n0.249983 0.374991 0.250000 Sr\n0.250020 0.875008 0.250000 Hf\n0.750030 0.375035 0.250000 Mg\n0.750030 0.874994 0.250000 Mg\n0.249997 0.103966 0.750001 Mg\n0.249998 0.646033 0.750001 Mg\n0.707950 0.103975 0.750001 Mg\n0.791998 0.646000 0.750001 Mg\n",
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"spacegroup": 123
},
{
"id": "jvasp-91975",
"created_at": "2022-09-04T14:35:49.973045Z",
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"structure_string": "Cr1 Cd1 F6\n1.0\n4.550405 0.035196 3.230747\n1.687364 4.226136 3.230746\n0.051521 0.035198 5.580435\nCr Cd F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500001 0.500001 Cd\n0.377163 0.062974 0.785279 F\n0.062972 0.785280 0.377164 F\n0.214720 0.622838 0.937028 F\n0.937027 0.214723 0.622837 F\n0.622836 0.937029 0.214722 F\n0.785279 0.377164 0.062973 F\n",
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{
"id": "jvasp-105885",
"created_at": "2022-09-04T14:35:49.948484Z",
"updated_at": "2022-09-04T14:35:49.948514Z",
"structure_string": "Zn6 Ag2\n1.0\n5.688374 -0.000000 -0.000000\n-2.844187 4.926277 0.000000\n0.000000 0.000000 4.429373\nZn Ag\n6 2\ndirect\n0.164383 0.328768 0.250000 Zn\n0.671232 0.835617 0.250000 Zn\n0.164383 0.835617 0.250000 Zn\n0.835616 0.671233 0.749999 Zn\n0.328767 0.164383 0.749999 Zn\n0.835616 0.164383 0.749999 Zn\n0.333333 0.666667 0.749999 Ag\n0.666666 0.333333 0.250000 Ag\n",
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{
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"structure_string": "Be1 Zn2 Ge1\n1.0\n2.770508 0.000000 -0.000000\n-0.000000 2.770508 -0.000000\n-0.000000 -0.000000 7.684659\nBe Zn Ge\n1 2 1\ndirect\n0.000000 0.000000 0.480224 Be\n0.000000 0.000000 0.024490 Zn\n0.500000 0.500000 0.282678 Zn\n0.500000 0.500000 0.712609 Ge\n",
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}