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{
"id": "jvasp-66319",
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"updated_at": "2022-09-04T14:36:17.868390Z",
"structure_string": "Ba4 Sb1 P1\n1.0\n-0.000000 4.839436 4.839436\n4.839436 -0.000000 4.839436\n4.839436 4.839436 -0.000000\nBa Sb P\n4 1 1\ndirect\n0.125570 0.624810 0.624810 Ba\n0.624810 0.624810 0.624810 Ba\n0.624810 0.125570 0.624810 Ba\n0.624810 0.624810 0.125570 Ba\n0.000000 0.000000 0.000000 Sb\n0.250000 0.250000 0.250000 P\n",
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{
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"structure_string": "Ba1 Sr1 W2\n1.0\n4.269717 -0.000000 0.000000\n-0.000000 4.269717 -0.000000\n0.000000 0.000000 6.825733\nBa Sr W\n1 1 2\ndirect\n0.500000 0.500000 0.000000 Ba\n0.500000 0.500000 0.500000 Sr\n0.000000 0.000000 0.664500 W\n0.000000 0.000000 0.335499 W\n",
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"structure_string": "K4 Mn2 Te4\n1.0\n6.356351 -0.000000 -2.736488\n-1.364141 6.507033 -3.168646\n-0.026534 0.057564 8.688917\nK Mn Te\n4 2 4\ndirect\n0.143189 0.465516 0.286378 K\n0.856811 0.534483 0.713622 K\n0.356811 0.179138 0.713622 K\n0.643189 0.820861 0.286377 K\n0.250000 0.000000 -0.000000 Mn\n0.750000 0.000000 -0.000000 Mn\n0.890982 0.092323 0.781963 Te\n0.109019 0.907676 0.218036 Te\n0.609018 0.310361 0.218036 Te\n0.390982 0.689638 0.781963 Te\n",
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"formula_full": "K4 Mn2 Te4",
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{
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"created_at": "2022-09-04T14:36:17.879014Z",
"updated_at": "2022-09-04T14:36:17.879043Z",
"structure_string": "Lu2 Sn4\n1.0\n-0.000000 0.000000 -4.316958\n-4.364956 0.000000 -0.000000\n2.182478 8.077804 0.000000\nLu Sn\n2 4\ndirect\n0.750000 0.098317 0.196635 Lu\n0.250000 0.901683 0.803364 Lu\n0.750000 0.435112 0.870226 Sn\n0.250000 0.564888 0.129774 Sn\n0.750000 0.748640 0.497280 Sn\n0.250000 0.251360 0.502720 Sn\n",
"nsites": 6,
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"elements": [
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{
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"created_at": "2022-09-04T14:36:17.882303Z",
"updated_at": "2022-09-04T14:36:17.882330Z",
"structure_string": "Mg6 Mn2\n1.0\n0.000000 -4.680200 0.000000\n-0.032518 0.000000 -4.722505\n8.317337 0.000000 2.369383\nMg Mn\n6 2\ndirect\n0.750000 0.433132 0.366982 Mg\n0.250000 0.566870 0.633018 Mg\n0.750000 0.060121 0.615664 Mg\n0.250000 0.939881 0.384336 Mg\n0.750000 0.244487 0.994885 Mg\n0.250000 0.755515 0.005116 Mg\n0.750000 0.847020 0.197524 Mn\n0.250000 0.152981 0.802476 Mn\n",
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{
"id": "jvasp-95186",
"created_at": "2022-09-04T14:36:17.890047Z",
"updated_at": "2022-09-04T14:36:17.890076Z",
"structure_string": "Cu4 Sb4 Pb4 S12\n1.0\n7.876434 0.000022 0.000043\n0.000032 8.215228 0.000077\n-0.000016 -0.000070 8.761485\nCu Sb Pb S\n4 4 4 12\ndirect\n0.242832 0.277932 0.428813 Cu\n0.742835 0.722069 0.928809 Cu\n0.757166 0.277930 0.428803 Cu\n0.257173 0.722069 0.928813 Cu\n0.499994 0.073093 0.054332 Sb\n-0.000000 0.926906 0.554335 Sb\n0.500004 0.490272 0.664169 Sb\n0.000000 0.509727 0.164169 Sb\n0.499998 0.559320 0.184661 Pb\n0.000000 0.440680 0.684662 Pb\n0.499999 0.926649 0.502453 Pb\n0.999992 0.073353 0.002452 Pb\n0.499998 0.232487 0.298277 S\n0.000003 0.767513 0.798281 S\n0.000003 0.238187 0.288172 S\n0.265185 0.564852 0.484476 S\n0.500002 0.761812 0.788173 S\n0.234815 0.435147 0.984470 S\n0.763232 0.108139 0.644183 S\n0.734818 0.564852 0.484470 S\n0.236762 0.108138 0.644188 S\n0.765182 0.435146 0.984475 S\n0.263230 0.891864 0.144186 S\n0.736759 0.891861 0.144185 S\n",
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"formula_full": "Cu4 Sb4 Pb4 S12",
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{
"id": "jvasp-22601",
"created_at": "2022-09-04T14:36:17.890728Z",
"updated_at": "2022-09-04T14:36:17.890759Z",
"structure_string": "Rb2 Mn1 F6\n1.0\n5.165493 0.000000 2.982299\n1.721831 4.870074 2.982299\n0.000000 0.000000 5.964598\nRb Mn F\n2 1 6\ndirect\n0.750000 0.749999 0.750001 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Mn\n0.217131 0.782868 0.782870 F\n0.217131 0.782868 0.217132 F\n0.782869 0.217131 0.782870 F\n0.782869 0.217131 0.217132 F\n0.782869 0.782868 0.217132 F\n0.217131 0.217131 0.782869 F\n",
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"volume": 150.04741443248622,
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"formula_full": "Rb2 Mn1 F6",
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"formula_anonymous": "AB2C6",
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"spacegroup": 225
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{
"id": "jvasp-85348",
"created_at": "2022-09-04T14:36:17.890866Z",
"updated_at": "2022-09-04T14:36:17.890886Z",
"structure_string": "Np4 Ni4 Sn4\n1.0\n4.250388 -0.000093 -0.000032\n0.000079 7.739156 0.000099\n-0.000021 0.000332 7.194679\nNp Ni Sn\n4 4 4\ndirect\n0.249994 0.478270 0.860319 Np\n0.250006 0.978276 0.639678 Np\n0.749994 0.021724 0.360323 Np\n0.750007 0.521731 0.139682 Np\n0.249995 0.676366 0.379866 Ni\n0.749997 0.823639 0.879861 Ni\n0.750006 0.323633 0.620134 Ni\n0.250004 0.176363 0.120139 Ni\n0.250005 0.840953 0.078896 Sn\n0.749996 0.159048 0.921105 Sn\n0.750005 0.659047 0.578907 Sn\n0.249996 0.340952 0.421094 Sn\n",
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"elements": [
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],
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"formula_full": "Np4 Ni4 Sn4",
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"formula_anonymous": "ABC",
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{
"id": "jvasp-95339",
"created_at": "2022-09-04T14:36:17.891395Z",
"updated_at": "2022-09-04T14:36:17.891422Z",
"structure_string": "La1 Ga3 Pd2\n1.0\n5.474339 0.000000 -0.000000\n-2.737170 4.740917 -0.000000\n-0.000000 -0.000000 4.324130\nLa Ga Pd\n1 3 2\ndirect\n0.000000 0.000000 0.000000 La\n0.500000 -0.000000 0.500000 Ga\n0.500000 0.500000 0.500000 Ga\n0.000000 0.500000 0.500000 Ga\n0.666667 0.333333 0.000000 Pd\n0.333333 0.666667 0.000000 Pd\n",
"nsites": 6,
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{
"id": "jvasp-100122",
"created_at": "2022-09-04T14:36:17.893239Z",
"updated_at": "2022-09-04T14:36:17.893258Z",
"structure_string": "K2 Rb1 Nd1 Br6\n1.0\n7.383127 -0.000000 4.262651\n2.461043 6.960880 4.262651\n-0.000000 -0.000000 8.525301\nK Rb Nd Br\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Nd\n0.762806 0.237194 0.237194 Br\n0.237194 0.237194 0.762806 Br\n0.237194 0.762806 0.762806 Br\n0.237194 0.762806 0.237194 Br\n0.762806 0.237194 0.762806 Br\n0.762806 0.762806 0.237194 Br\n",
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{
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"created_at": "2022-09-04T14:36:17.897042Z",
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"structure_string": "Ba1 Sn1 O3\n1.0\n4.173636 0.000000 -0.000000\n-0.000000 4.173636 -0.000000\n-0.000000 -0.000000 4.173636\nBa Sn O\n1 1 3\ndirect\n0.500001 0.500001 0.500001 Ba\n0.000000 0.000000 0.000000 Sn\n0.000000 0.500001 0.000000 O\n0.000000 0.000000 0.500001 O\n0.500001 0.000000 0.000000 O\n",
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{
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"created_at": "2022-09-04T14:36:17.902204Z",
"updated_at": "2022-09-04T14:36:17.902232Z",
"structure_string": "Ce2 Co2 Ge2 H2\n1.0\n4.010212 -0.000191 0.000089\n-0.000190 4.010172 0.000064\n0.000088 0.000104 7.321563\nCe Co Ge H\n2 2 2 2\ndirect\n0.749998 0.749995 0.324497 Ce\n0.250002 0.250003 0.675505 Ce\n0.750005 0.249992 0.999994 Co\n0.249997 0.750006 0.999997 Co\n0.750001 0.750000 0.825081 Ge\n0.250000 0.249999 0.174910 Ge\n0.249994 0.750010 0.500008 H\n0.750006 0.249989 0.500005 H\n",
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}