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{
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"structure_string": "Mg6 Cr1 Sb1\n1.0\n6.265355 0.040634 0.000000\n-3.097488 5.446274 0.000000\n0.000000 0.000000 5.048328\nMg Cr Sb\n6 1 1\ndirect\n0.160734 0.821176 0.250000 Mg\n0.678824 0.339265 0.250000 Mg\n0.665035 0.834963 0.250000 Mg\n0.330826 0.660089 0.750000 Mg\n0.839910 0.169174 0.750000 Mg\n0.829804 0.670195 0.750000 Mg\n0.166599 0.333401 0.250000 Cr\n0.328268 0.171731 0.750000 Sb\n",
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{
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{
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"structure_string": "Sr2 S6\n1.0\n5.400052 -0.006317 0.000000\n-0.677942 5.357331 0.000000\n0.000000 -0.000000 6.875470\nSr S\n2 6\ndirect\n0.001216 0.001216 0.000000 Sr\n0.501216 0.501215 0.500000 Sr\n0.537018 0.537017 0.000000 S\n0.037018 0.037018 0.500000 S\n0.191290 0.526577 0.859177 S\n0.526577 0.191289 0.140823 S\n0.691289 0.026577 0.640823 S\n0.026577 0.691289 0.359177 S\n",
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{
"id": "jvasp-2038",
"created_at": "2022-09-04T14:36:54.903520Z",
"updated_at": "2022-09-04T14:36:54.903540Z",
"structure_string": "Mn1 Cl2\n1.0\n3.510219 -0.002900 5.083226\n1.582433 3.133298 5.083226\n-0.004718 -0.002900 6.177443\nMn Cl\n1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.746612 0.746614 0.746614 Cl\n0.253386 0.253387 0.253387 Cl\n",
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{
"id": "jvasp-44058",
"created_at": "2022-09-04T14:36:51.848006Z",
"updated_at": "2022-09-04T14:36:51.848026Z",
"structure_string": "Na4 Co2 O6\n1.0\n0.000000 5.772163 0.000000\n-5.745093 2.886081 0.000000\n0.000000 0.000000 4.987441\nNa Co O\n4 2 6\ndirect\n0.856495 0.672188 0.514523 Na\n0.471317 0.672188 0.014523 Na\n0.528682 0.327811 0.514523 Na\n0.143505 0.327811 0.014523 Na\n0.813799 0.000000 0.042400 Co\n0.186201 0.000000 0.542400 Co\n0.851536 0.718156 0.995183 O\n0.430306 0.718156 0.495184 O\n0.569693 0.281844 0.995183 O\n0.148463 0.281844 0.495184 O\n0.891877 0.000000 0.396186 O\n0.108122 0.000000 0.896185 O\n",
"nsites": 12,
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"density": 3.0704654282380424,
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"formula_full": "Na4 Co2 O6",
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"spacegroup": 36
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{
"id": "jvasp-107601",
"created_at": "2022-09-04T14:37:09.399820Z",
"updated_at": "2022-09-04T14:37:09.399845Z",
"structure_string": "K2 Rb1 As1 Br6\n1.0\n7.091855 -0.000000 4.094485\n2.363952 6.686265 4.094485\n-0.000000 -0.000000 8.188969\nK Rb As Br\n2 1 1 6\ndirect\n0.750000 0.750001 0.749999 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.499999 Rb\n0.000000 0.000000 0.000000 As\n0.770942 0.229059 0.229058 Br\n0.229059 0.229059 0.770941 Br\n0.229058 0.770942 0.770941 Br\n0.229058 0.770942 0.229058 Br\n0.770942 0.229059 0.770941 Br\n0.770942 0.770942 0.229057 Br\n",
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"density_atomic": 0.025752971089237145,
"volume": 388.3047111476496,
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"formula_full": "K2 Rb1 As1 Br6",
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{
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"created_at": "2022-09-04T14:38:34.388280Z",
"updated_at": "2022-09-04T14:38:34.388306Z",
"structure_string": "Mg4 P2 N6\n1.0\n4.756938 0.000000 0.000000\n-0.000000 4.899256 -2.795555\n0.000000 0.004747 5.640727\nMg P N\n4 2 6\ndirect\n0.473065 0.829346 0.502393 Mg\n0.473065 0.502394 0.829345 Mg\n0.973065 0.170656 0.497608 Mg\n0.973065 0.497608 0.170655 Mg\n0.491359 0.162022 0.162021 P\n0.991359 0.837980 0.837979 P\n0.345122 0.889368 0.889367 N\n0.845122 0.110634 0.110633 N\n0.418645 0.162463 0.443828 N\n0.918645 0.837538 0.556172 N\n0.418645 0.443828 0.162463 N\n0.918645 0.556173 0.837538 N\n",
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"formula_full": "Mg4 P2 N6",
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"spacegroup": 36
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{
"id": "jvasp-46848",
"created_at": "2022-09-04T14:38:04.905038Z",
"updated_at": "2022-09-04T14:38:04.905061Z",
"structure_string": "Li2 Fe2 C3 O9\n1.0\n4.922533 0.000000 0.000000\n0.000000 4.871080 3.445980\n0.000000 -4.871080 3.445980\nLi Fe C O\n2 2 3 9\ndirect\n0.000000 0.910176 0.910176 Li\n0.500000 0.643756 0.643756 Li\n0.500000 0.258062 0.814019 Fe\n0.500000 0.814019 0.258062 Fe\n0.000000 0.444718 0.855410 C\n0.000000 0.855410 0.444718 C\n0.500000 0.242871 0.242871 C\n0.000000 0.242218 0.886416 O\n0.000000 0.886416 0.242218 O\n0.228375 0.546493 0.839112 O\n0.228375 0.839112 0.546493 O\n0.500000 0.212122 0.444925 O\n0.500000 0.050587 0.050587 O\n0.500000 0.444925 0.212122 O\n0.771625 0.546493 0.839112 O\n0.771625 0.839112 0.546493 O\n",
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"density_atomic": 0.09681961156387117,
"volume": 165.25577557646903,
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"formula_full": "Li2 Fe2 C3 O9",
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{
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"created_at": "2022-09-04T14:36:21.124142Z",
"updated_at": "2022-09-04T14:36:21.124168Z",
"structure_string": "Rb2 Mn1 Cl4 O2\n1.0\n5.663518 0.230622 0.475173\n0.853679 5.986423 2.810406\n0.326174 0.412261 6.622972\nRb Mn Cl O\n2 1 4 2\ndirect\n0.782875 0.830795 0.859449 Rb\n0.217125 0.169204 0.140551 Rb\n-0.000000 0.500000 0.500000 Mn\n0.238984 0.131229 0.652096 Cl\n0.761016 0.868770 0.347904 Cl\n0.721816 0.365429 0.812176 Cl\n0.278184 0.634570 0.187824 Cl\n0.142390 0.577283 0.646412 O\n0.857610 0.422716 0.353588 O\n",
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{
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"created_at": "2022-09-04T14:38:03.925655Z",
"updated_at": "2022-09-04T14:38:03.925675Z",
"structure_string": "Li1 V1 F4\n1.0\n3.896256 0.004352 -0.004931\n-0.004231 3.896095 -0.004648\n-1.940119 -1.944963 4.773701\nLi V F\n1 1 4\ndirect\n0.751237 0.248344 0.501965 Li\n0.001252 0.998427 0.002027 V\n0.800141 0.797260 0.599773 F\n0.202420 0.199545 0.404290 F\n0.987680 0.484900 0.975003 F\n0.514770 0.011968 0.029074 F\n",
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{
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"created_at": "2022-09-04T14:37:32.743736Z",
"updated_at": "2022-09-04T14:37:32.743764Z",
"structure_string": "Ca6 Sn2 H4\n1.0\n0.000000 0.000000 5.234470\n4.407836 -5.647303 0.000000\n4.407836 5.647303 -0.000000\nCa Sn H\n6 2 4\ndirect\n0.250000 0.890107 0.109894 Ca\n0.250000 0.408944 0.186484 Ca\n0.750000 0.186484 0.408944 Ca\n0.250000 0.813517 0.591056 Ca\n0.750000 0.591056 0.813517 Ca\n0.750000 0.109894 0.890107 Ca\n0.750000 0.692331 0.307670 Sn\n0.250000 0.307670 0.692331 Sn\n0.000000 0.151932 0.151932 H\n0.500000 0.151932 0.151932 H\n0.000000 0.848069 0.848069 H\n0.500000 0.848069 0.848069 H\n",
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{
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"structure_string": "Mo2 H8 O10\n1.0\n4.029885 -0.057740 -0.011849\n-0.067915 6.430280 0.119756\n0.005342 1.407262 7.536684\nMo H O\n2 8 10\ndirect\n0.041362 0.987346 0.280352 Mo\n0.894536 0.039759 0.773283 Mo\n0.973633 0.437782 0.261502 H\n0.772225 0.387733 0.582866 H\n0.286334 0.408617 0.543496 H\n0.012431 0.651039 0.717779 H\n0.291806 0.429981 0.028588 H\n0.766081 0.368881 0.096263 H\n0.573240 0.576535 0.906017 H\n0.495019 0.589473 0.403595 H\n0.970849 0.333453 0.670332 O\n0.963937 0.038895 0.001225 O\n0.977003 0.014922 0.504455 O\n0.507844 0.431749 -0.033089 O\n0.491965 0.441548 0.467444 O\n0.474573 0.013064 0.259420 O\n0.466860 0.043430 0.755234 O\n0.972506 0.716644 0.294287 O\n0.970603 0.332259 0.183648 O\n0.955814 0.736981 0.804997 O\n",
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