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{
"id": "jvasp-86694",
"created_at": "2022-09-04T14:36:13.503536Z",
"updated_at": "2022-09-04T14:36:13.503551Z",
"structure_string": "Nb2 Br10\n1.0\n6.503387 -0.005268 -0.099435\n-3.161757 5.921287 -2.290263\n0.002286 -0.002082 9.660430\nNb Br\n2 10\ndirect\n0.107668 0.222816 0.723861 Nb\n0.892333 0.777184 0.276139 Nb\n0.875420 0.385324 0.648070 Br\n0.249078 0.188102 0.454451 Br\n0.124580 0.614676 0.351930 Br\n0.541536 0.412071 0.164747 Br\n0.458465 0.587930 0.835253 Br\n0.688371 0.995979 0.251731 Br\n0.750923 0.811899 0.545549 Br\n0.076829 0.813419 0.060853 Br\n0.923172 0.186581 0.939147 Br\n0.311630 0.004021 0.748269 Br\n",
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{
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"structure_string": "Rb2 Hg2 Pd1 Cl8\n1.0\n6.368097 0.039047 1.932409\n2.754388 5.741736 1.932409\n-0.037039 -0.023470 9.834079\nRb Hg Pd Cl\n2 2 1 8\ndirect\n0.397295 0.397295 0.829109 Rb\n0.602705 0.602706 0.170891 Rb\n0.866074 0.866075 0.400908 Hg\n0.133926 0.133926 0.599092 Hg\n0.000000 0.000000 0.000000 Pd\n0.085111 0.085111 0.305976 Cl\n0.106719 0.623961 0.134386 Cl\n0.647880 0.647881 0.503489 Cl\n0.376039 0.893282 0.865614 Cl\n0.352119 0.352120 0.496511 Cl\n0.623961 0.106720 0.134386 Cl\n0.893281 0.376040 0.865614 Cl\n0.914889 0.914890 0.694024 Cl\n",
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{
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"structure_string": "Dy1 B6\n1.0\n4.089079 0.000000 0.000000\n-0.000000 4.089079 -0.000000\n0.000000 -0.000000 4.089079\nDy B\n1 6\ndirect\n0.000000 0.000000 0.000000 Dy\n0.198614 0.500000 0.500000 B\n0.500000 0.801386 0.500000 B\n0.500000 0.198614 0.500000 B\n0.801386 0.500000 0.500000 B\n0.500000 0.500000 0.198614 B\n0.500000 0.500000 0.801386 B\n",
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"volume": 68.37171966683583,
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"formula_full": "Dy1 B6",
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"spacegroup": 221
},
{
"id": "jvasp-86699",
"created_at": "2022-09-04T14:35:48.185287Z",
"updated_at": "2022-09-04T14:35:48.185314Z",
"structure_string": "Ho10 Ni2 Pb6\n1.0\n9.068445 -0.000000 0.000000\n-4.534222 7.853504 -0.000000\n0.000000 0.000000 6.641402\nHo Ni Pb\n10 2 6\ndirect\n0.000000 0.761160 0.750000 Ho\n0.666667 0.333333 0.000000 Ho\n0.333333 0.666667 0.000000 Ho\n0.238840 0.238840 0.750000 Ho\n0.666667 0.333333 0.500000 Ho\n0.000000 0.238840 0.250000 Ho\n0.761160 0.000000 0.750000 Ho\n0.761160 0.761160 0.250000 Ho\n0.333333 0.666667 0.500000 Ho\n0.238840 0.000000 0.250000 Ho\n0.000000 0.000000 0.000000 Ni\n0.000000 0.000000 0.500000 Ni\n0.000000 0.600823 0.250000 Pb\n0.399176 0.399176 0.250000 Pb\n0.600823 0.600823 0.750000 Pb\n0.600823 0.000000 0.250000 Pb\n0.399176 0.000000 0.750000 Pb\n0.000000 0.399176 0.750000 Pb\n",
"nsites": 18,
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"formula_full": "Ho10 Ni2 Pb6",
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{
"id": "jvasp-867",
"created_at": "2022-09-04T14:38:01.991215Z",
"updated_at": "2022-09-04T14:38:01.991241Z",
"structure_string": "Cu1\n1.0\n2.220595 0.000015 1.282085\n0.740212 2.093592 1.282085\n0.000021 0.000015 2.564134\nCu\n1\ndirect\n-0.000000 0.000000 -0.000000 Cu\n",
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{
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"created_at": "2022-09-04T14:36:52.566235Z",
"updated_at": "2022-09-04T14:36:52.566255Z",
"structure_string": "Sb2 Te2 I2\n1.0\n4.282476 0.000127 -0.000345\n-2.140743 6.947513 -0.092674\n-2.137393 -1.030896 7.342200\nSb Te I\n2 2 2\ndirect\n0.378346 0.511919 0.245405 Sb\n0.621656 0.488080 0.754595 Sb\n0.077804 0.252176 0.903149 Te\n0.922198 0.747823 0.096851 Te\n0.783578 0.202467 0.365059 I\n0.216424 0.797532 0.634940 I\n",
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"formula_full": "Sb2 Te2 I2",
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{
"id": "jvasp-86700",
"created_at": "2022-09-04T14:35:59.034479Z",
"updated_at": "2022-09-04T14:35:59.034504Z",
"structure_string": "Nb4 Se8\n1.0\n3.497786 0.000000 0.000000\n-1.748893 3.018857 0.000000\n0.000000 0.000000 25.650955\nNb Se\n4 8\ndirect\n0.250180 0.000286 0.376630 Nb\n0.249893 -0.000286 0.623370 Nb\n0.749821 -0.000286 0.876630 Nb\n0.750108 0.000286 0.123370 Nb\n0.084156 0.668414 0.189044 Se\n0.415743 0.331587 0.810957 Se\n0.916364 0.332686 0.557984 Se\n0.416324 0.332686 0.942016 Se\n0.584259 0.668414 0.310956 Se\n0.083639 0.667315 0.057984 Se\n0.915846 0.331587 0.689044 Se\n0.583678 0.667315 0.442016 Se\n",
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"formula_full": "Nb4 Se8",
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"formula_anonymous": "AB2",
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"spacegroup": 64
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{
"id": "jvasp-86701",
"created_at": "2022-09-04T14:36:08.215256Z",
"updated_at": "2022-09-04T14:36:08.215272Z",
"structure_string": "Cr1 Fe2 Se4\n1.0\n3.368546 -0.000936 -0.926711\n-0.743973 5.565914 -2.700433\n-0.008193 -0.030767 6.559767\nCr Fe Se\n1 2 4\ndirect\n0.000000 0.000000 0.000000 Cr\n0.257516 0.306596 0.515450 Fe\n0.742487 0.693402 0.484550 Fe\n0.636371 0.975411 0.272527 Se\n0.889083 0.550375 0.778241 Se\n0.110919 0.449623 0.221759 Se\n0.363631 0.024587 0.727473 Se\n",
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{
"id": "jvasp-86702",
"created_at": "2022-09-04T14:36:14.737547Z",
"updated_at": "2022-09-04T14:36:14.737577Z",
"structure_string": "Dy1 Ga2 Cu3\n1.0\n5.284992 0.000000 -0.000000\n-2.642496 4.576937 0.000000\n0.000000 -0.000000 3.978732\nDy Ga Cu\n1 2 3\ndirect\n0.000000 0.000000 0.000000 Dy\n0.666667 0.333333 0.000000 Ga\n0.333333 0.666667 0.000000 Ga\n0.500000 -0.000000 0.500000 Cu\n-0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.500000 Cu\n",
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{
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"created_at": "2022-09-04T14:35:42.101491Z",
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"structure_string": "Cd2 Ru1 C6 N6\n1.0\n6.370397 -0.000000 -0.000000\n-3.185198 5.516925 0.000000\n-0.000000 0.000000 6.672942\nCd Ru C N\n2 1 6 6\ndirect\n0.666667 0.333333 0.499983 Cd\n0.333333 0.666668 0.500017 Cd\n0.000000 0.000000 0.000000 Ru\n0.250095 0.000002 0.183218 C\n0.000002 0.749908 0.816782 C\n0.749908 0.749905 0.183218 C\n0.749905 -0.000002 0.816782 C\n-0.000002 0.250093 0.183218 C\n0.250093 0.250095 0.816782 C\n0.385775 0.385776 0.696140 N\n0.999999 0.385775 0.303860 N\n0.614226 0.614224 0.303860 N\n0.385776 0.000001 0.303860 N\n0.000001 0.614226 0.696140 N\n0.614224 1.000000 0.696140 N\n",
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{
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"created_at": "2022-09-04T14:35:48.698682Z",
"updated_at": "2022-09-04T14:35:48.698716Z",
"structure_string": "Bi2 Te3\n1.0\n4.274650 -0.112894 8.783287\n1.934361 3.813611 8.783287\n-0.189412 -0.112894 9.766417\nBi Te\n2 3\ndirect\n0.193894 0.193895 0.193894 Bi\n0.596099 0.596101 0.596099 Bi\n0.995155 0.995158 0.995156 Te\n0.395007 0.395008 0.395007 Te\n0.794842 0.794844 0.794843 Te\n",
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{
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"created_at": "2022-09-04T14:35:54.808964Z",
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"structure_string": "Mo4 Cl12\n1.0\n5.720533 0.049634 -0.078169\n-2.477033 5.156672 -0.078169\n-0.058507 -0.093912 12.049169\nMo Cl\n4 12\ndirect\n0.977922 0.022076 0.750000 Mo\n0.022077 0.977923 0.250000 Mo\n0.289291 0.710708 0.250000 Mo\n0.710708 0.289291 0.750000 Mo\n0.675788 0.649877 0.639746 Cl\n0.010098 0.660904 0.860601 Cl\n0.317732 0.006693 0.109111 Cl\n-0.006693 0.682268 0.390889 Cl\n0.649877 0.675788 0.139746 Cl\n0.660903 0.010097 0.360601 Cl\n0.350122 0.324211 0.860254 Cl\n0.006693 0.317732 0.609111 Cl\n0.339096 -0.010098 0.639399 Cl\n-0.010098 0.339096 0.139399 Cl\n0.682267 -0.006693 0.890889 Cl\n0.324211 0.350122 0.360254 Cl\n",
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