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{
"id": "jvasp-105613",
"created_at": "2022-09-04T14:35:42.747380Z",
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"structure_string": "K2 Na1 Au1 Cl6\n1.0\n6.290325 -0.000000 3.631720\n2.096775 5.930574 3.631720\n0.000000 0.000000 7.263441\nK Na Au Cl\n2 1 1 6\ndirect\n0.750000 0.749999 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Au\n0.757401 0.242599 0.242599 Cl\n0.242599 0.242599 0.757401 Cl\n0.242599 0.757401 0.757401 Cl\n0.242599 0.757401 0.242599 Cl\n0.757401 0.242599 0.757401 Cl\n0.757401 0.757401 0.242599 Cl\n",
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{
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"formula_full": "Li6 Zn2 P2 C2 O14",
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{
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"created_at": "2022-09-04T14:38:13.677492Z",
"updated_at": "2022-09-04T14:38:13.677509Z",
"structure_string": "Na10 Mn2 O8\n1.0\n5.801864 0.000000 0.000000\n0.000000 6.013434 0.000000\n0.000000 0.000000 7.766035\nNa Mn O\n10 2 8\ndirect\n0.746592 0.605647 0.697589 Na\n0.740943 0.320762 0.000000 Na\n0.936115 0.071508 0.321533 Na\n0.936115 0.071508 0.678467 Na\n0.436115 0.928491 0.821534 Na\n0.246592 0.394353 0.802412 Na\n0.246592 0.394353 0.197589 Na\n0.436115 0.928491 0.178467 Na\n0.240943 0.679238 0.500000 Na\n0.746592 0.605647 0.302411 Na\n0.494448 0.173810 0.500000 Mn\n0.994447 0.826189 0.000000 Mn\n0.093760 0.742918 0.224793 O\n0.593759 0.257081 0.724793 O\n0.615127 0.875948 0.500000 O\n0.115127 0.124051 0.000000 O\n0.189146 0.286382 0.500000 O\n0.689146 0.713618 0.000000 O\n0.093760 0.742918 0.775208 O\n0.593759 0.257081 0.275207 O\n",
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"formula_full": "Na10 Mn2 O8",
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{
"id": "jvasp-97852",
"created_at": "2022-09-04T14:36:15.486763Z",
"updated_at": "2022-09-04T14:36:15.486793Z",
"structure_string": "Ce3 Ag4 Sn4\n1.0\n4.552377 0.000016 -1.240458\n-0.830721 6.668462 -3.049384\n-0.012579 -0.001518 8.929271\nCe Ag Sn\n3 4 4\ndirect\n0.000000 0.500000 0.000000 Ce\n0.129512 0.129580 0.259013 Ce\n0.870488 0.870420 0.740987 Ce\n0.330164 0.524982 0.660451 Ag\n0.669837 0.475018 0.339550 Ag\n0.669980 0.864762 0.339824 Ag\n0.330021 0.135238 0.660176 Ag\n0.214847 0.714666 0.429581 Sn\n0.785153 0.285334 0.570419 Sn\n0.499974 0.196201 0.999887 Sn\n0.500026 0.803799 0.000113 Sn\n",
"nsites": 11,
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{
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"created_at": "2022-09-04T14:38:40.570929Z",
"updated_at": "2022-09-04T14:38:40.570946Z",
"structure_string": "Ba4 Pd3 Br1 O6\n1.0\n6.656639 -0.000000 -2.353477\n-3.328319 5.764818 -2.353477\n-0.000000 -0.000000 7.060432\nBa Pd Br O\n4 3 1 6\ndirect\n0.000000 0.500000 -0.000000 Ba\n0.500000 0.000000 -0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Pd\n0.000000 0.500000 0.500000 Pd\n0.500000 0.500000 -0.000000 Pd\n0.000000 0.000000 0.000000 Br\n0.250000 0.750000 0.500000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.249999 O\n",
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{
"id": "jvasp-64412",
"created_at": "2022-09-04T14:36:15.255315Z",
"updated_at": "2022-09-04T14:36:15.255334Z",
"structure_string": "Ba4 Mg1 Cr1\n1.0\n0.000000 5.135816 5.135816\n5.135816 0.000000 5.135816\n5.135816 5.135816 -0.000000\nBa Mg Cr\n4 1 1\ndirect\n0.125220 0.624927 0.624927 Ba\n0.624927 0.624927 0.624927 Ba\n0.624927 0.125220 0.624927 Ba\n0.624927 0.624927 0.125220 Ba\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Cr\n",
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"formula_full": "Ba4 Mg1 Cr1",
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"spacegroup": 216
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{
"id": "jvasp-110872",
"created_at": "2022-09-04T14:38:38.070085Z",
"updated_at": "2022-09-04T14:38:38.070105Z",
"structure_string": "Tb2 Nd6\n1.0\n7.300381 0.000000 0.000000\n-3.650191 6.322315 0.000000\n-0.000000 -0.000000 5.869734\nTb Nd\n2 6\ndirect\n0.333333 0.666666 0.749999 Tb\n0.666667 0.333333 0.250000 Tb\n0.167393 0.334786 0.250000 Nd\n0.665213 0.832607 0.250000 Nd\n0.167393 0.832607 0.250000 Nd\n0.832607 0.665213 0.749999 Nd\n0.334787 0.167393 0.749999 Nd\n0.832607 0.167393 0.749999 Nd\n",
"nsites": 8,
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"volume": 270.9193824208197,
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{
"id": "jvasp-98373",
"created_at": "2022-09-04T14:36:10.394986Z",
"updated_at": "2022-09-04T14:36:10.395015Z",
"structure_string": "Tl2 Zn4 Sb4\n1.0\n6.830440 0.085750 -1.899458\n-3.925207 5.590617 -1.899458\n-0.043888 -0.085750 7.089493\nTl Zn Sb\n2 4 4\ndirect\n0.769850 0.769850 -0.000000 Tl\n0.269840 0.269840 -0.000000 Tl\n0.770621 0.986880 0.499996 Zn\n0.986880 0.486883 0.216258 Zn\n0.486883 0.270625 0.500002 Zn\n0.270624 0.770622 0.783741 Zn\n0.833855 0.641597 0.500001 Sb\n0.333854 0.833856 0.192258 Sb\n0.641597 0.141595 0.807741 Sb\n0.141595 0.333854 0.499998 Sb\n",
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{
"id": "jvasp-29413",
"created_at": "2022-09-04T14:36:53.937296Z",
"updated_at": "2022-09-04T14:36:53.937321Z",
"structure_string": "Tc4 O12 F4\n1.0\n5.085285 0.000000 0.000000\n0.000000 5.723484 -0.351561\n0.000000 -0.051251 9.310442\nTc O F\n4 12 4\ndirect\n0.082444 0.675943 0.360852 Tc\n0.917557 0.324057 0.639148 Tc\n0.417556 0.675943 0.860852 Tc\n0.582445 0.324057 0.139148 Tc\n0.078834 0.092540 0.696296 O\n0.774593 0.460531 0.791750 O\n0.921166 0.907459 0.303703 O\n0.659324 0.210929 0.546956 O\n0.421166 0.092540 0.196296 O\n0.840678 0.210929 0.046956 O\n0.225408 0.539468 0.208250 O\n0.340677 0.789070 0.453044 O\n0.578835 0.907459 0.803703 O\n0.274593 0.539468 0.708250 O\n0.725408 0.460531 0.291750 O\n0.159323 0.789070 0.953044 O\n0.637400 0.659626 0.043721 F\n0.362601 0.340373 0.956278 F\n0.137400 0.340373 0.456279 F\n0.862601 0.659626 0.543721 F\n",
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{
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"updated_at": "2022-09-04T14:38:18.657255Z",
"structure_string": "Li4 V2 Cr6 O16\n1.0\n2.901121 -5.024889 -0.000000\n2.901121 5.024889 0.000000\n0.000000 0.000000 9.291136\nLi V Cr O\n4 2 6 16\ndirect\n0.666667 0.333333 0.893928 Li\n0.000000 0.000000 0.995847 Li\n0.000000 0.000000 0.495847 Li\n0.333333 0.666667 0.393928 Li\n0.666667 0.333333 0.492925 V\n0.333333 0.666667 0.992925 V\n0.170812 0.829188 0.713588 Cr\n0.170812 0.341626 0.713588 Cr\n0.658374 0.829188 0.713588 Cr\n0.829188 0.658374 0.213588 Cr\n0.829188 0.170812 0.213588 Cr\n0.341626 0.170812 0.213588 Cr\n0.661871 0.830935 0.098080 O\n0.169064 0.338129 0.098080 O\n0.333333 0.666667 0.601903 O\n0.479069 0.958140 0.842163 O\n0.479070 0.520930 0.842163 O\n0.338129 0.169064 0.598081 O\n0.520930 0.479070 0.342163 O\n0.958140 0.479069 0.342163 O\n0.830935 0.661871 0.598081 O\n0.000000 0.000000 0.807838 O\n0.000000 0.000000 0.307837 O\n0.666667 0.333333 0.101902 O\n0.041859 0.520930 0.842163 O\n0.830935 0.169064 0.598081 O\n0.520930 0.041859 0.342163 O\n0.169064 0.830935 0.098080 O\n",
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"structure_string": "Ba4 Li1 Ti1\n1.0\n0.000000 5.135485 5.135485\n5.135485 -0.000000 5.135485\n5.135485 5.135485 0.000000\nBa Li Ti\n4 1 1\ndirect\n0.122565 0.625811 0.625811 Ba\n0.625811 0.625811 0.625811 Ba\n0.625811 0.122565 0.625811 Ba\n0.625811 0.625811 0.122565 Ba\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Ti\n",
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{
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"updated_at": "2022-09-04T14:37:29.941331Z",
"structure_string": "Fe8 O6 F10\n1.0\n4.711825 -0.043531 -0.049577\n-0.147095 7.644326 0.131065\n-0.098119 -1.938391 7.489879\nFe O F\n8 6 10\ndirect\n0.555959 0.867335 0.641670 Fe\n0.444043 0.132666 0.358329 Fe\n0.510110 0.623626 0.897074 Fe\n0.489892 0.376375 0.102925 Fe\n0.000000 0.500000 0.500000 Fe\n0.041494 0.256794 0.734590 Fe\n0.000000 0.000000 0.000000 Fe\n0.958508 0.743207 0.265409 Fe\n0.799238 0.717738 0.483188 O\n0.702500 0.833433 0.868023 O\n0.698255 0.592934 0.099506 O\n0.301747 0.407066 0.900494 O\n0.200764 0.282262 0.516811 O\n0.297502 0.166567 0.131976 O\n0.781091 0.463782 0.713940 F\n0.208494 0.017077 0.765139 F\n0.218911 0.536219 0.286059 F\n0.196870 0.784405 0.052794 F\n0.291992 0.652195 0.680105 F\n0.297430 0.900117 0.408518 F\n0.708010 0.347806 0.319894 F\n0.702572 0.099883 0.591481 F\n0.791508 0.982924 0.234860 F\n0.803132 0.215596 0.947205 F\n",
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}