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{
"id": "jvasp-5335",
"created_at": "2022-09-04T14:37:40.954296Z",
"updated_at": "2022-09-04T14:37:40.954315Z",
"structure_string": "Nb2 Se4 Cl4\n1.0\n6.390026 0.004031 -0.017136\n3.193243 5.771001 -0.083699\n2.701606 1.878949 6.519646\nNb Se Cl\n2 4 4\ndirect\n0.871440 0.258677 0.000107 Nb\n0.128560 0.741323 -0.000108 Nb\n0.913549 0.894898 0.335948 Se\n0.086451 0.105102 0.664052 Se\n0.730799 0.046557 0.853073 Se\n0.269202 0.953443 0.146926 Se\n0.839367 0.513656 0.218271 Cl\n0.160634 0.486344 0.781728 Cl\n0.422762 0.353019 0.219448 Cl\n0.577239 0.646981 0.780552 Cl\n",
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{
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{
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"updated_at": "2022-09-04T14:37:49.360769Z",
"structure_string": "Yb1 Pr1 Au2\n1.0\n-0.000000 3.641814 3.641814\n3.641814 0.000000 3.641814\n3.641814 3.641814 0.000000\nYb Pr Au\n1 1 2\ndirect\n0.750000 0.750000 0.750000 Yb\n0.250000 0.250000 0.250000 Pr\n0.499998 0.499998 0.499998 Au\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
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"formula_full": "Yb1 Pr1 Au2",
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{
"id": "jvasp-74873",
"created_at": "2022-09-04T14:36:20.275949Z",
"updated_at": "2022-09-04T14:36:20.275956Z",
"structure_string": "K1 Be1 Cd2\n1.0\n-2.571636 2.571636 3.651757\n2.571636 -2.571636 3.651757\n2.571636 2.571636 -3.651757\nK Be Cd\n1 1 2\ndirect\n0.500000 0.500000 0.000000 K\n0.750001 0.250000 0.500001 Be\n0.000000 0.000000 0.000000 Cd\n0.250000 0.750001 0.500001 Cd\n",
"nsites": 4,
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"Be",
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],
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"density_atomic": 0.041407511966503455,
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{
"id": "jvasp-54864",
"created_at": "2022-09-04T14:37:51.818180Z",
"updated_at": "2022-09-04T14:37:51.818197Z",
"structure_string": "Np3 Sn1\n1.0\n4.588345 -0.000000 -0.000000\n0.000000 4.588345 0.000000\n0.000000 0.000000 4.588345\nNp Sn\n3 1\ndirect\n0.000000 0.499999 0.499999 Np\n0.499999 0.000000 0.499999 Np\n0.499999 0.499999 0.000000 Np\n0.000000 0.000000 0.000000 Sn\n",
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"formula_full": "Np3 Sn1",
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},
{
"id": "jvasp-86292",
"created_at": "2022-09-04T14:36:12.033824Z",
"updated_at": "2022-09-04T14:36:12.033834Z",
"structure_string": "Sm4 Zn4 Sn4\n1.0\n4.537667 -0.000000 0.000000\n-2.268833 3.929736 0.000000\n-0.000000 0.000000 16.251105\nSm Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.750000 Sm\n0.000000 0.000000 0.250000 Sm\n0.333334 0.666668 0.159928 Zn\n0.666668 0.333333 0.659928 Zn\n0.666668 0.333333 0.840072 Zn\n0.333334 0.666668 0.340072 Zn\n0.666668 0.333333 0.386075 Sn\n0.666668 0.333333 0.113926 Sn\n0.333334 0.666668 0.886075 Sn\n0.333334 0.666668 0.613926 Sn\n",
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"elements": [
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"spacegroup": 194
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{
"id": "jvasp-86895",
"created_at": "2022-09-04T14:36:11.069580Z",
"updated_at": "2022-09-04T14:36:11.069602Z",
"structure_string": "Sm4 Zn4 Sn4\n1.0\n4.537667 0.000000 0.000000\n-2.268833 3.929736 -0.000000\n0.000000 -0.000000 16.251105\nSm Zn Sn\n4 4 4\ndirect\n0.000000 0.000000 0.500000 Sm\n0.000000 0.000000 0.000000 Sm\n0.000000 0.000000 0.750000 Sm\n0.000000 0.000000 0.250000 Sm\n0.333334 0.666668 0.159928 Zn\n0.666668 0.333333 0.659928 Zn\n0.666668 0.333333 0.840072 Zn\n0.333334 0.666668 0.340072 Zn\n0.666668 0.333333 0.386075 Sn\n0.666668 0.333333 0.113926 Sn\n0.333334 0.666668 0.886075 Sn\n0.333334 0.666668 0.613926 Sn\n",
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"formula_full": "Sm4 Zn4 Sn4",
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"formula_anonymous": "ABC",
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"spacegroup": 194
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{
"id": "jvasp-111110",
"created_at": "2022-09-04T14:38:37.892307Z",
"updated_at": "2022-09-04T14:38:37.892338Z",
"structure_string": "Al1 Ag1 P2 Se6\n1.0\n6.346376 -0.000047 0.894699\n-3.365735 5.380364 0.894699\n0.038076 0.068731 7.095145\nAl Ag P Se\n1 1 2 6\ndirect\n0.332821 0.667178 0.000000 Al\n0.666971 0.333028 0.000000 Ag\n0.053372 0.052834 0.834238 P\n0.947167 0.946627 0.165763 P\n0.119491 0.436894 0.748014 Se\n0.397659 0.041755 0.743693 Se\n0.958246 0.602341 0.256308 Se\n0.563106 0.880509 0.251987 Se\n0.724966 0.763791 0.746964 Se\n0.236208 0.275035 0.253037 Se\n",
"nsites": 10,
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"elements": [
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"P",
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"density": 4.610942302113258,
"density_atomic": 0.041409951301540675,
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"volume_molar": 14.542738087634367,
"formula_full": "Al1 Ag1 P2 Se6",
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"formula_anonymous": "ABC2D6",
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"spacegroup": 5
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{
"id": "jvasp-18654",
"created_at": "2022-09-04T14:37:17.577871Z",
"updated_at": "2022-09-04T14:37:17.577893Z",
"structure_string": "Tb1 Cd2\n1.0\n2.479115 -4.293954 -0.000000\n2.479115 4.293954 -0.000000\n-0.000000 -0.000000 3.402717\nTb Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.333332 0.666666 0.500001 Cd\n0.666666 0.333332 0.500001 Cd\n",
"nsites": 3,
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{
"id": "jvasp-90137",
"created_at": "2022-09-04T14:35:50.192714Z",
"updated_at": "2022-09-04T14:35:50.192745Z",
"structure_string": "Sm3 Mg3 Ag3\n1.0\n0.000000 0.000000 -4.232398\n-3.850504 -6.669268 0.000000\n-3.849360 6.668608 0.000000\nSm Mg Ag\n3 3 3\ndirect\n0.500000 0.585257 -0.000000 Sm\n0.500000 0.414699 0.414723 Sm\n0.500000 -0.000024 0.585277 Sm\n0.000000 0.242929 -0.000000 Mg\n0.000000 0.757041 0.757039 Mg\n0.000000 0.000003 0.242961 Mg\n0.000000 0.333333 0.666668 Ag\n0.000000 0.666664 0.333331 Ag\n0.500000 -0.000004 0.000000 Ag\n",
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{
"id": "jvasp-78530",
"created_at": "2022-09-04T14:37:15.371068Z",
"updated_at": "2022-09-04T14:37:15.371092Z",
"structure_string": "Tb1 Cd2\n1.0\n4.957996 -0.000054 -0.022803\n-2.479045 4.293831 -0.000000\n0.015623 0.009021 3.402670\nTb Cd\n1 2\ndirect\n0.000000 0.000000 0.000000 Tb\n0.666661 0.333331 0.499992 Cd\n0.333340 0.666669 0.500009 Cd\n",
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{
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"created_at": "2022-09-04T14:36:09.548071Z",
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"structure_string": "Ho1 As1\n1.0\n3.539960 0.000000 2.043796\n1.179986 3.337506 2.043796\n0.000000 0.000000 4.087593\nHo As\n1 1\ndirect\n0.500000 0.500001 0.500000 Ho\n0.000000 0.000000 0.000000 As\n",
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