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{
"id": "jvasp-120900",
"created_at": "2022-09-04T14:38:54.117664Z",
"updated_at": "2022-09-04T14:38:54.117691Z",
"structure_string": "Ge2 Br1\n1.0\n6.139670 0.000000 -0.026181\n0.000000 3.211981 0.000000\n0.016367 0.000000 4.308033\nGe Br\n2 1\ndirect\n-0.141192 0.000000 -0.033710 Ge\n0.080995 0.000000 0.466381 Ge\n0.460197 0.000000 -0.032671 Br\n",
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{
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"structure_string": "Sb1 H1 Cl1\n1.0\n4.706028 -0.000000 -0.000000\n-2.353014 4.075539 0.000000\n0.000000 0.000000 3.184010\nSb H Cl\n1 1 1\ndirect\n0.666668 0.333333 0.000000 Sb\n0.333335 0.666666 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-123449",
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"structure_string": "Zr1 Tl1\n1.0\n1.632105 -2.826886 0.000000\n1.632105 2.826886 0.000000\n-0.000000 0.000000 5.147966\nZr Tl\n1 1\ndirect\n0.333332 0.666665 0.750001 Zr\n0.666665 0.333332 0.250000 Tl\n",
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{
"id": "jvasp-120374",
"created_at": "2022-09-04T14:38:54.123161Z",
"updated_at": "2022-09-04T14:38:54.123196Z",
"structure_string": "As2 C1\n1.0\n2.974775 0.000000 0.235823\n0.000000 3.241746 0.000000\n-0.507640 0.000000 6.502961\nAs C\n2 1\ndirect\n-0.199420 0.000000 -0.081038 As\n0.299325 0.000000 0.383083 As\n0.300094 0.000000 0.097955 C\n",
"nsites": 3,
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"elements": [
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"density_atomic": 0.04754421734622197,
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"spacegroup": 25
},
{
"id": "jvasp-123356",
"created_at": "2022-09-04T14:38:54.124722Z",
"updated_at": "2022-09-04T14:38:54.124748Z",
"structure_string": "Sc1 Ag3\n1.0\n4.222264 -0.000000 -0.000000\n0.000000 4.222264 0.000000\n0.000000 0.000000 4.222264\nSc Ag\n1 3\ndirect\n0.000000 0.000000 0.000000 Sc\n0.000000 0.499999 0.499999 Ag\n0.499999 0.000000 0.499999 Ag\n0.499999 0.499999 0.000000 Ag\n",
"nsites": 4,
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"density": 8.130584109376978,
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"volume": 75.27246755571593,
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"formula_full": "Sc1 Ag3",
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},
{
"id": "jvasp-117872",
"created_at": "2022-09-04T14:38:54.127024Z",
"updated_at": "2022-09-04T14:38:54.127053Z",
"structure_string": "Pb1 Br2\n1.0\n4.457896 0.309889 -0.420742\n0.281384 -4.081760 -0.025392\n-0.371967 -2.043127 -5.446237\nPb Br\n1 2\ndirect\n0.969105 0.160750 -0.005275 Pb\n0.469076 0.576903 0.162574 Br\n0.969070 0.860820 0.594777 Br\n",
"nsites": 3,
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"elements": [
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"Br"
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"chemical_system": "Br-Pb",
"density": 6.080489705045594,
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"volume": 100.22730919995249,
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"formula_full": "Pb1 Br2",
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"spacegroup": 38
},
{
"id": "jvasp-120973",
"created_at": "2022-09-04T14:38:54.127331Z",
"updated_at": "2022-09-04T14:38:54.127367Z",
"structure_string": "Rb1 Mo1 Cl1\n1.0\n2.974865 -0.000000 -0.000000\n0.000000 2.974865 0.000000\n0.000000 0.000000 8.500751\nRb Mo Cl\n1 1 1\ndirect\n0.000000 0.000000 0.013040 Rb\n0.000000 0.000000 0.625633 Mo\n0.000000 0.000000 0.359421 Cl\n",
"nsites": 3,
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"formula_full": "Rb1 Mo1 Cl1",
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},
{
"id": "jvasp-111905",
"created_at": "2022-09-04T14:38:54.127680Z",
"updated_at": "2022-09-04T14:38:54.127724Z",
"structure_string": "Mn2 P2 O8 F2\n1.0\n4.800121 0.015249 -1.466286\n-1.116801 4.638549 -1.703681\n0.016163 -0.029373 7.095636\nMn P O F\n2 2 8 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.439761 0.126479 0.764684 P\n0.560239 0.873522 0.235316 P\n0.231539 0.791445 0.120401 O\n0.706278 0.847229 0.068618 O\n0.658026 0.181854 0.412286 O\n0.646174 0.652723 0.333522 O\n0.293721 0.152772 0.931383 O\n0.341973 0.818147 0.587714 O\n0.353825 0.347277 0.666479 O\n0.768460 0.208556 0.879599 O\n0.142425 0.317154 0.270070 F\n0.857575 0.682847 0.729930 F\n",
"nsites": 14,
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"elements": [
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"O",
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"volume": 157.93061050727692,
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"formula_full": "Mn2 P2 O8 F2",
"formula_reduced": "MnPO4F",
"formula_anonymous": "ABCD4",
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"spacegroup": 2
},
{
"id": "jvasp-121966",
"created_at": "2022-09-04T14:38:54.130825Z",
"updated_at": "2022-09-04T14:38:54.130862Z",
"structure_string": "Li6 P1 Br1 O5\n1.0\n5.082062 -0.000000 2.934130\n1.694021 4.791414 2.934130\n-0.000000 -0.000000 5.868260\nLi P Br O\n6 1 1 5\ndirect\n0.983193 0.516807 0.983193 Li\n0.516807 0.983192 0.983193 Li\n0.516807 0.516807 0.983193 Li\n0.516807 0.983192 0.516808 Li\n0.983193 0.983192 0.516808 Li\n0.983193 0.516807 0.516808 Li\n0.500000 0.500000 0.500000 P\n0.000000 0.000000 0.000000 Br\n0.824854 0.391715 0.391716 O\n0.391716 0.824854 0.391716 O\n0.391715 0.391715 0.391716 O\n0.391715 0.391715 0.824855 O\n0.750000 0.749999 0.750000 O\n",
"nsites": 13,
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"volume": 142.89367444432386,
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"formula_full": "Li6 P1 Br1 O5",
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"formula_anonymous": "ABC5D6",
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"spacegroup": 216
},
{
"id": "jvasp-118067",
"created_at": "2022-09-04T14:38:54.134442Z",
"updated_at": "2022-09-04T14:38:54.134469Z",
"structure_string": "Zn1 H1 Cl1\n1.0\n4.234911 -0.000000 -0.000000\n-2.117456 3.667541 0.000000\n0.000000 -0.000000 3.579814\nZn H Cl\n1 1 1\ndirect\n0.666667 0.333334 0.000000 Zn\n0.333334 0.666667 0.000000 H\n0.000000 0.000000 0.000000 Cl\n",
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{
"id": "jvasp-122569",
"created_at": "2022-09-04T14:38:54.135801Z",
"updated_at": "2022-09-04T14:38:54.135829Z",
"structure_string": "Sn7 Pt1\n1.0\n6.485292 -0.000000 0.000000\n0.000000 6.485292 -0.000000\n-0.000000 0.000000 6.485292\nSn Pt\n7 1\ndirect\n0.234337 0.234337 0.734336 Sn\n0.000000 0.500000 0.000000 Sn\n0.234337 0.765663 0.265663 Sn\n0.500000 0.000000 0.000000 Sn\n0.765663 0.234337 0.265663 Sn\n0.500000 0.500000 0.500000 Sn\n0.765663 0.765663 0.734336 Sn\n0.000000 0.000000 0.500000 Pt\n",
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{
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"structure_string": "Nb1 Ga3\n1.0\n5.038009 -0.751568 -0.883372\n-3.096263 4.044693 0.883372\n-0.727271 0.428825 3.727708\nNb Ga\n1 3\ndirect\n0.124962 0.875037 -0.125045 Nb\n0.375017 0.624984 0.625123 Ga\n0.874973 0.125026 0.124885 Ga\n0.625048 0.374952 0.375038 Ga\n",
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