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{
"id": "jvasp-85930",
"created_at": "2022-09-04T14:36:02.375934Z",
"updated_at": "2022-09-04T14:36:02.375967Z",
"structure_string": "Bi2 P2 O8\n1.0\n4.755192 0.040964 0.000000\n-0.491638 4.728399 0.000000\n0.000000 0.000000 7.195021\nBi P O\n2 2 8\ndirect\n0.863403 0.862816 0.499999 Bi\n0.136596 0.137184 -0.000001 Bi\n0.346648 0.345772 0.499999 P\n0.653351 0.654228 -0.000001 P\n0.193619 0.193099 0.331179 O\n0.683955 0.333428 0.000008 O\n0.806380 0.806901 0.831179 O\n0.806395 0.806920 0.168808 O\n0.193604 0.193079 0.668808 O\n0.316044 0.666572 0.500008 O\n0.667202 0.314163 0.500005 O\n0.332797 0.685836 0.000006 O\n",
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{
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{
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"updated_at": "2022-09-04T14:36:02.646085Z",
"structure_string": "Li2 Bi6 I4 O8\n1.0\n-3.981743 3.981743 -0.000000\n1.990871 -1.990871 6.705070\n7.951925 7.951925 0.000000\nLi Bi I O\n2 6 4 8\ndirect\n0.785064 0.570131 -0.000000 Li\n0.214935 0.429869 0.500000 Li\n0.157937 0.315874 -0.000000 Bi\n0.665428 0.330855 0.255600 Bi\n0.334572 0.669145 0.244401 Bi\n0.842063 0.684126 0.500000 Bi\n0.665428 0.330855 0.744401 Bi\n0.334572 0.669145 0.755600 Bi\n0.000000 0.000000 0.750000 I\n0.497998 0.995995 0.500000 I\n0.000000 0.000000 0.250000 I\n0.502001 0.004005 -0.000000 I\n0.491989 0.488420 0.125996 O\n0.996429 0.488420 0.125996 O\n0.508010 0.511580 0.374004 O\n0.003570 0.511580 0.374004 O\n0.508010 0.511580 0.625996 O\n0.491989 0.488420 0.874005 O\n0.003570 0.511580 0.625996 O\n0.996429 0.488420 0.874005 O\n",
"nsites": 20,
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"density_atomic": 0.047103283618279465,
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"formula_full": "Li2 Bi6 I4 O8",
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{
"id": "jvasp-63733",
"created_at": "2022-09-04T14:36:02.726225Z",
"updated_at": "2022-09-04T14:36:02.726256Z",
"structure_string": "Na4 Ag2 As2\n1.0\n3.683345 -4.392959 0.000000\n3.683345 4.392959 0.000000\n0.000000 0.000000 5.648574\nNa Ag As\n4 2 2\ndirect\n0.969227 0.325540 0.749963 Na\n0.030774 0.674462 0.249963 Na\n0.325540 0.969227 0.750036 Na\n0.674462 0.030774 0.250036 Na\n0.500008 0.499993 0.000000 Ag\n0.499993 0.500008 0.500000 Ag\n0.790569 0.790569 0.750000 As\n0.209432 0.209432 0.250000 As\n",
"nsites": 8,
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{
"id": "jvasp-91540",
"created_at": "2022-09-04T14:36:02.986317Z",
"updated_at": "2022-09-04T14:36:02.986340Z",
"structure_string": "Tb2 Ga4 Ni2\n1.0\n4.144847 0.000000 0.000000\n-2.072424 5.050429 -0.000000\n0.000000 0.000000 6.621400\nTb Ga Ni\n2 4 2\ndirect\n0.426676 0.853352 0.250000 Tb\n0.573325 0.146649 0.750000 Tb\n0.142344 0.284686 0.446254 Ga\n0.857658 0.715314 0.553746 Ga\n0.142344 0.284686 0.053746 Ga\n0.857658 0.715314 0.946254 Ga\n0.709040 0.418079 0.250000 Ni\n0.290961 0.581921 0.750000 Ni\n",
"nsites": 8,
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"formula_full": "Tb2 Ga4 Ni2",
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{
"id": "jvasp-48119",
"created_at": "2022-09-04T14:36:03.126112Z",
"updated_at": "2022-09-04T14:36:03.126141Z",
"structure_string": "Li2 Mn4 F10\n1.0\n4.061337 0.000000 0.000000\n-2.030669 5.194415 0.000000\n-0.000000 0.000000 10.304999\nLi Mn F\n2 4 10\ndirect\n0.177709 0.355421 0.250000 Li\n0.822292 0.644580 0.750000 Li\n0.138784 0.277570 0.571072 Mn\n0.138784 0.277570 0.928928 Mn\n0.861217 0.722431 0.071072 Mn\n0.861217 0.722431 0.428928 Mn\n0.309673 0.619346 0.429876 F\n0.053647 0.107293 0.116638 F\n0.053647 0.107293 0.383362 F\n0.309673 0.619346 0.070124 F\n0.241268 0.482534 0.750000 F\n0.758733 0.517467 0.250000 F\n0.946354 0.892707 0.616638 F\n0.690328 0.380655 0.570124 F\n0.690328 0.380655 0.929876 F\n0.946354 0.892707 0.883362 F\n",
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"density_atomic": 0.07359805834750713,
"volume": 217.39703953130095,
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"formula_full": "Li2 Mn4 F10",
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"formula_anonymous": "AB2C5",
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{
"id": "jvasp-90842",
"created_at": "2022-09-04T14:36:03.142169Z",
"updated_at": "2022-09-04T14:36:03.142194Z",
"structure_string": "Fe4 Se4\n1.0\n0.000000 0.000000 4.354559\n4.862454 0.000000 0.000000\n0.000000 6.471229 0.000000\nFe Se\n4 4\ndirect\n0.250000 -0.000202 0.101948 Fe\n0.250000 0.500202 0.601949 Fe\n0.750000 0.000202 0.898052 Fe\n0.750000 0.499798 0.398052 Fe\n0.250000 0.499827 0.219899 Se\n0.250000 0.000173 0.719899 Se\n0.750000 0.500172 0.780101 Se\n0.750000 -0.000173 0.280101 Se\n",
"nsites": 8,
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{
"id": "jvasp-47969",
"created_at": "2022-09-04T14:36:03.180843Z",
"updated_at": "2022-09-04T14:36:03.180870Z",
"structure_string": "Li4 Ni4 P4 O16\n1.0\n5.401992 0.000000 0.000000\n0.000000 6.109038 0.000000\n0.000000 0.000000 8.177987\nLi Ni P O\n4 4 4 16\ndirect\n0.222954 0.249947 0.579044 Li\n0.722953 0.250053 0.079044 Li\n0.222954 0.749948 0.920956 Li\n0.722953 0.750053 0.420956 Li\n0.723013 -0.000008 0.750008 Ni\n0.223014 0.500008 0.250008 Ni\n0.723013 0.499993 0.749993 Ni\n0.223014 0.000008 0.249993 Ni\n0.223006 0.749972 0.600654 P\n0.723006 0.750029 0.100654 P\n0.223006 0.249971 0.899346 P\n0.723006 0.250029 0.399346 P\n0.453563 0.749990 0.720362 O\n0.223022 0.542426 0.496364 O\n0.723022 0.957575 0.996365 O\n0.953563 0.750010 0.220362 O\n0.492465 0.750022 0.220381 O\n0.722974 0.542505 -0.003659 O\n0.222975 0.457495 0.003659 O\n0.492465 0.250022 0.279619 O\n0.453563 0.249990 0.779638 O\n0.223022 0.042426 0.003636 O\n0.723022 0.457574 0.503636 O\n0.953563 0.250010 0.279638 O\n0.992465 0.749979 0.720381 O\n0.722974 0.042505 0.503659 O\n0.992465 0.249979 0.779620 O\n0.222975 0.957495 0.496341 O\n",
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{
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"created_at": "2022-09-04T14:36:04.186917Z",
"updated_at": "2022-09-04T14:36:04.186944Z",
"structure_string": "Ti2 Si4\n1.0\n-3.560564 -0.000000 0.000000\n0.000000 0.000000 -3.594608\n1.780281 -6.876605 0.000000\nTi Si\n2 4\ndirect\n0.895947 0.750000 0.791895 Ti\n0.104053 0.250000 0.208106 Ti\n0.558312 0.750000 0.116625 Si\n0.441687 0.250000 0.883376 Si\n0.249839 0.750000 0.499679 Si\n0.750161 0.250000 0.500322 Si\n",
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{
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"created_at": "2022-09-04T14:36:03.917191Z",
"updated_at": "2022-09-04T14:36:03.917216Z",
"structure_string": "Nd2 Co2 Si4\n1.0\n4.083927 -0.000000 -0.000000\n0.000000 4.053049 -1.017207\n-0.000000 -0.030231 8.462816\nNd Co Si\n2 2 4\ndirect\n0.250000 0.893142 0.786283 Nd\n0.750001 0.106859 0.213717 Nd\n0.750001 0.317987 0.635972 Co\n0.250000 0.682014 0.364028 Co\n0.250000 0.249825 0.499650 Si\n0.750001 0.750175 0.500350 Si\n0.750001 0.456057 0.912113 Si\n0.250000 0.543943 0.087887 Si\n",
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{
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"created_at": "2022-09-04T14:36:03.934993Z",
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"structure_string": "Ce2 Si4 Ag2\n1.0\n-0.000000 0.000000 -4.208066\n-4.189147 0.000000 0.000000\n2.094573 8.864977 0.000000\nCe Si Ag\n2 4 2\ndirect\n0.750001 0.404222 0.808443 Ce\n0.250000 0.595779 0.191558 Ce\n0.750001 0.031637 0.063274 Si\n0.250000 0.968364 0.936726 Si\n0.750001 0.162742 0.325484 Si\n0.250000 0.837259 0.674517 Si\n0.750001 0.748343 0.496686 Ag\n0.250000 0.251658 0.503314 Ag\n",
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{
"id": "jvasp-50813",
"created_at": "2022-09-04T14:36:04.484132Z",
"updated_at": "2022-09-04T14:36:04.484156Z",
"structure_string": "Li8 Sb2 S8\n1.0\n5.254324 4.393541 0.000000\n-5.254324 4.393541 0.000000\n0.000000 0.000000 7.877843\nLi Sb S\n8 2 8\ndirect\n0.151629 0.848370 0.500000 Li\n0.151629 0.848370 0.000000 Li\n0.115123 0.423122 0.750000 Li\n0.576878 0.884877 0.250000 Li\n0.884877 0.576878 0.250000 Li\n0.423122 0.115123 0.750000 Li\n0.848370 0.151629 0.000000 Li\n0.848370 0.151629 0.500000 Li\n0.369438 0.369438 0.250000 Sb\n0.630562 0.630562 0.750000 Sb\n0.242864 0.701255 0.250000 S\n0.298745 0.757136 0.750000 S\n0.787067 0.787067 0.010553 S\n0.212932 0.212932 0.510552 S\n0.787067 0.787067 0.489447 S\n0.212932 0.212932 0.989447 S\n0.757136 0.298745 0.750000 S\n0.701255 0.242864 0.250000 S\n",
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}
]
}