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{
"id": "jvasp-92195",
"created_at": "2022-09-04T14:35:50.202244Z",
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"structure_string": "Ce1 Mg6 Zn1\n1.0\n7.186209 0.688245 0.000000\n-2.997122 5.191667 0.000000\n0.000000 0.000000 4.857953\nCe Mg Zn\n1 6 1\ndirect\n0.101777 0.800913 0.250000 Ce\n0.626138 0.307235 0.250000 Mg\n0.626105 0.818894 0.250000 Mg\n0.345985 0.171110 0.750000 Mg\n0.345961 0.674846 0.750000 Mg\n0.925547 0.212754 0.750000 Mg\n0.780824 0.640402 0.750000 Mg\n0.247668 0.373849 0.250000 Zn\n",
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{
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"structure_string": "Mg6 Ga1 Ni1\n1.0\n6.054956 -0.139272 0.000000\n-3.148091 5.452653 0.000000\n0.000000 0.000000 4.704133\nMg Ga Ni\n6 1 1\ndirect\n0.676717 0.336150 0.250000 Mg\n0.676717 0.840566 0.250000 Mg\n0.318603 0.171839 0.750000 Mg\n0.318603 0.646763 0.750000 Mg\n0.844358 0.172178 0.750000 Mg\n0.835632 0.667816 0.750000 Mg\n0.171464 0.835731 0.250000 Ga\n0.157911 0.328955 0.250000 Ni\n",
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{
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"structure_string": "Mg6 Nb1 Ni1\n1.0\n6.243670 -0.189655 0.000000\n-3.286081 5.312348 0.000000\n0.000000 0.000000 4.757366\nMg Nb Ni\n6 1 1\ndirect\n0.178373 0.842903 0.250000 Mg\n0.657097 0.321626 0.250000 Mg\n0.675977 0.824023 0.250000 Mg\n0.320293 0.669072 0.750001 Mg\n0.830928 0.179706 0.750001 Mg\n0.831300 0.668699 0.750001 Mg\n0.308163 0.191837 0.750001 Nb\n0.197870 0.302130 0.250000 Ni\n",
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{
"id": "jvasp-8338",
"created_at": "2022-09-04T14:37:08.426645Z",
"updated_at": "2022-09-04T14:37:08.426669Z",
"structure_string": "Ca1 Sb1 F6\n1.0\n4.950518 0.181156 3.438164\n1.893957 4.577485 3.438164\n0.260562 0.181156 6.021685\nCa Sb F\n1 1 6\ndirect\n0.500000 0.500001 0.499999 Ca\n0.000000 0.000000 0.000000 Sb\n0.384392 0.086825 0.764159 F\n0.086824 0.764160 0.384391 F\n0.235841 0.615609 0.913175 F\n0.913176 0.235843 0.615607 F\n0.615608 0.913178 0.235839 F\n0.764159 0.384393 0.086823 F\n",
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"volume": 128.54864958993903,
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{
"id": "jvasp-93203",
"created_at": "2022-09-04T14:36:12.228174Z",
"updated_at": "2022-09-04T14:36:12.228195Z",
"structure_string": "Mg6 Ti1 Bi1\n1.0\n6.387425 0.143862 0.000000\n-3.069125 5.315878 0.000000\n0.000000 0.000000 5.264903\nMg Ti Bi\n6 1 1\ndirect\n0.664373 0.329570 0.250000 Mg\n0.664374 0.834804 0.250000 Mg\n0.339348 0.181704 0.750000 Mg\n0.339348 0.657645 0.750000 Mg\n0.845903 0.172952 0.750000 Mg\n0.821035 0.660518 0.750000 Mg\n0.163807 0.331903 0.250000 Ti\n0.161811 0.830904 0.250000 Bi\n",
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"elements": [
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"density": 3.6923615463690025,
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{
"id": "jvasp-94805",
"created_at": "2022-09-04T14:36:00.090655Z",
"updated_at": "2022-09-04T14:36:00.090680Z",
"structure_string": "K1 Mg6 Sn1\n1.0\n7.771446 0.840565 0.000000\n-3.157773 5.469423 0.000000\n0.000000 0.000000 4.966167\nK Mg Sn\n1 6 1\ndirect\n0.091482 0.795740 0.250000 K\n0.641968 0.308844 0.250000 Mg\n0.641968 0.833122 0.250000 Mg\n0.362772 0.172465 0.750000 Mg\n0.362772 0.690307 0.750000 Mg\n0.865412 0.182706 0.750000 Mg\n0.753705 0.626852 0.750000 Mg\n0.279930 0.389966 0.250000 Sn\n",
"nsites": 8,
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{
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"created_at": "2022-09-04T14:37:09.629069Z",
"updated_at": "2022-09-04T14:37:09.629107Z",
"structure_string": "Mo1 W1 O6\n1.0\n5.259290 -0.003954 -0.022350\n-2.609247 4.702704 0.066794\n-2.594243 -1.537879 4.338423\nMo W O\n1 1 6\ndirect\n0.001573 0.467402 0.504075 Mo\n0.973658 0.967177 0.004089 W\n0.868389 0.698314 0.197534 O\n0.024827 0.199766 0.695418 O\n0.867695 0.204586 0.118170 O\n0.445802 0.195627 0.269588 O\n0.450233 0.700929 0.619263 O\n0.016201 0.695498 0.764255 O\n",
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"formula_full": "Mo1 W1 O6",
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{
"id": "jvasp-108690",
"created_at": "2022-09-04T14:38:01.591334Z",
"updated_at": "2022-09-04T14:38:01.591361Z",
"structure_string": "Zr1 Mn1 F6\n1.0\n5.058241 -0.000000 2.920377\n1.686080 4.768955 2.920377\n-0.000000 -0.000000 5.840753\nZr Mn F\n1 1 6\ndirect\n0.500000 0.500001 0.500000 Zr\n0.000000 0.000000 0.000000 Mn\n0.745190 0.254810 0.254810 F\n0.254809 0.745191 0.745190 F\n0.254809 0.745191 0.254810 F\n0.745190 0.254810 0.745190 F\n0.254809 0.254810 0.745190 F\n0.745190 0.745191 0.254810 F\n",
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"spacegroup": 225
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{
"id": "jvasp-94204",
"created_at": "2022-09-04T14:36:00.219081Z",
"updated_at": "2022-09-04T14:36:00.219108Z",
"structure_string": "Mg6 Fe1 Bi1\n1.0\n6.406087 -0.043768 0.000000\n-3.240948 5.525949 0.000000\n0.000000 0.000000 4.929089\nMg Fe Bi\n6 1 1\ndirect\n0.161951 0.810253 0.250000 Mg\n0.689747 0.338049 0.250000 Mg\n0.666771 0.833229 0.250000 Mg\n0.327121 0.644643 0.750000 Mg\n0.855358 0.172879 0.750000 Mg\n0.831649 0.668351 0.750000 Mg\n0.135125 0.364875 0.250000 Fe\n0.332278 0.167722 0.750000 Bi\n",
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{
"id": "jvasp-93142",
"created_at": "2022-09-04T14:35:50.121793Z",
"updated_at": "2022-09-04T14:35:50.121809Z",
"structure_string": "Ce1 Hf1 Mg6\n1.0\n6.726646 0.377328 0.000000\n-3.036548 5.259454 0.000000\n0.000000 0.000000 5.177565\nCe Hf Mg\n1 1 6\ndirect\n0.144319 0.322159 0.250000 Ce\n0.167578 0.833789 0.250000 Hf\n0.651358 0.328234 0.250000 Mg\n0.651358 0.823123 0.250000 Mg\n0.346152 0.169754 0.750001 Mg\n0.346152 0.676399 0.750001 Mg\n0.822357 0.161179 0.750001 Mg\n0.870726 0.685364 0.750001 Mg\n",
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{
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"created_at": "2022-09-04T14:36:08.638934Z",
"updated_at": "2022-09-04T14:36:08.638952Z",
"structure_string": "Nb1 Cr1 F6\n1.0\n4.992121 -0.000000 -2.757288\n-1.522927 4.754151 -2.757288\n-0.108801 -0.149100 5.700820\nNb Cr F\n1 1 6\ndirect\n0.000000 0.000000 0.000000 Nb\n0.500000 0.500000 -0.000001 Cr\n0.746976 0.746976 0.493950 F\n0.253023 0.253023 0.506049 F\n0.253121 0.253121 -0.000000 F\n0.746879 0.253121 -0.000001 F\n0.253120 0.746879 -0.000001 F\n0.746878 0.746879 -0.000001 F\n",
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{
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"structure_string": "Mg6 Bi1 W1\n1.0\n6.154303 0.083445 0.000000\n-3.004886 5.371505 0.000000\n0.000000 0.000000 5.072406\nMg Bi W\n6 1 1\ndirect\n0.156388 0.820529 0.250000 Mg\n0.679470 0.343611 0.250000 Mg\n0.663439 0.836560 0.250000 Mg\n0.323026 0.645733 0.750001 Mg\n0.854266 0.176974 0.750001 Mg\n0.833280 0.666720 0.750001 Mg\n0.331883 0.168117 0.750001 Bi\n0.158245 0.341754 0.250000 W\n",
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