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{
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"results": [
{
"id": "mp-22181",
"created_at": "2022-09-04T14:46:41.980154Z",
"structure_string": "Gd1 Ge2 Pd2\n1.0\n-2.159021 2.159021 5.106557\n2.159021 -2.159021 5.106557\n2.159021 2.159021 -5.106557\nGd Ge Pd\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Gd\n0.621096 0.621096 0.000000 Ge\n0.378904 0.378904 0.000000 Ge\n0.250000 0.750000 0.500000 Pd\n0.750000 0.250000 0.500000 Pd\n",
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"volume": 95.21424069657854,
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{
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"structure_string": "Li4 V4 F16\n1.0\n4.649638 5.242243 0.000000\n-4.649638 5.242243 0.000000\n0.000000 2.382309 6.791271\nLi V F\n4 4 16\ndirect\n0.723341 0.723341 0.392132 Li\n0.747526 0.252474 0.000000 Li\n0.252474 0.747526 0.000000 Li\n0.276659 0.276659 0.607868 Li\n0.788880 0.788880 0.864256 V\n0.809421 0.190579 0.500000 V\n0.190579 0.809421 0.500000 V\n0.211120 0.211120 0.135744 V\n0.862473 0.862473 0.548392 F\n0.804371 0.512702 0.887667 F\n0.512702 0.804371 0.887667 F\n0.805544 0.805544 0.117799 F\n0.462685 0.804100 0.479521 F\n0.804100 0.462685 0.479521 F\n0.799926 0.100006 0.783734 F\n0.100006 0.799926 0.783734 F\n0.899994 0.200074 0.216266 F\n0.200073 0.899994 0.216266 F\n0.195900 0.537315 0.520479 F\n0.537315 0.195900 0.520479 F\n0.194456 0.194456 0.882201 F\n0.487298 0.195629 0.112333 F\n0.195629 0.487298 0.112333 F\n0.137527 0.137527 0.451608 F\n",
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"spacegroup": 12
},
{
"id": "mp-802313",
"created_at": "2022-09-04T14:46:42.114262Z",
"structure_string": "Li1 V1 Fe1 P2 H2 O10\n1.0\n5.216535 0.000000 0.000000\n-0.729339 5.250479 0.000000\n-1.945631 -2.851309 6.569425\nLi V Fe P H O\n1 1 1 2 2 10\ndirect\n0.619324 0.254504 0.154859 Li\n0.494493 0.493016 0.504243 V\n0.008579 0.009891 0.995766 Fe\n0.088261 0.414489 0.229434 P\n0.902400 0.581576 0.774099 P\n0.297108 0.590954 0.348631 H\n0.694461 0.378353 0.657197 H\n0.429026 0.257033 0.714589 O\n0.893465 0.429723 0.378560 O\n0.070850 0.007996 0.650243 O\n0.552969 0.674844 0.074748 O\n0.972644 0.534293 0.130208 O\n0.978990 0.439774 0.891369 O\n0.442859 0.313777 0.926220 O\n0.948551 0.997926 0.343425 O\n0.115909 0.577924 0.619927 O\n0.560881 0.764600 0.283943 O\n",
"nsites": 17,
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"elements": [
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],
"chemical_system": "Fe-H-Li-O-P-V",
"density": 3.1163938124770465,
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"volume": 179.93200122784566,
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"formula_full": "Li1 V1 Fe1 P2 H2 O10",
"formula_reduced": "LiVFeP2(HO5)2",
"formula_anonymous": "ABCD2E2F10",
"energy": -72.65182585,
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},
{
"id": "mp-770525",
"created_at": "2022-09-04T14:46:42.114988Z",
"structure_string": "Na12 Mn4 C8 S2 O32\n1.0\n0.000000 7.092556 7.092556\n7.092556 0.000000 7.092556\n7.092556 7.092556 0.000000\nNa Mn C S O\n12 4 8 2 32\ndirect\n0.785616 0.785616 0.214384 Na\n0.464384 0.035616 0.035616 Na\n0.214384 0.785616 0.214384 Na\n0.785616 0.214384 0.785616 Na\n0.035616 0.464384 0.464384 Na\n0.035616 0.035616 0.464384 Na\n0.214384 0.785616 0.785616 Na\n0.214384 0.214384 0.785616 Na\n0.464384 0.035616 0.464384 Na\n0.035616 0.464384 0.035616 Na\n0.785616 0.214384 0.214384 Na\n0.464384 0.464384 0.035616 Na\n0.125000 0.625000 0.625000 Mn\n0.625000 0.625000 0.625000 Mn\n0.625000 0.625000 0.125000 Mn\n0.625000 0.125000 0.625000 Mn\n0.787626 0.404125 0.404125 C\n0.404125 0.787626 0.404125 C\n0.404125 0.404125 0.404125 C\n0.404125 0.404125 0.787626 C\n0.845875 0.845875 0.462374 C\n0.845875 0.462374 0.845875 C\n0.845875 0.845875 0.845875 C\n0.462374 0.845875 0.845875 C\n0.000000 0.000000 0.000000 S\n0.250000 0.250000 0.250000 S\n0.727979 0.984964 0.826110 O\n0.460946 0.826110 0.984964 O\n0.789054 0.522021 0.423890 O\n0.522021 0.789054 0.265036 O\n0.789054 0.265036 0.522021 O\n0.060952 0.060952 0.817145 O\n0.423890 0.522021 0.265036 O\n0.060952 0.060952 0.060952 O\n0.060952 0.817145 0.060952 O\n0.423890 0.789054 0.522021 O\n0.265036 0.789054 0.423890 O\n0.817145 0.060952 0.060952 O\n0.522021 0.423890 0.789054 O\n0.265036 0.423890 0.522021 O\n0.423890 0.265036 0.789054 O\n0.984964 0.727979 0.460946 O\n0.265036 0.522021 0.789054 O\n0.826110 0.984964 0.460946 O\n0.984964 0.826110 0.727979 O\n0.727979 0.826110 0.460946 O\n0.432855 0.189048 0.189048 O\n0.984964 0.460946 0.826110 O\n0.826110 0.460946 0.727979 O\n0.189048 0.432855 0.189048 O\n0.189048 0.189048 0.189048 O\n0.826110 0.727979 0.984964 O\n0.189048 0.189048 0.432855 O\n0.460946 0.984964 0.727979 O\n0.727979 0.460946 0.984964 O\n0.460946 0.727979 0.826110 O\n0.789054 0.423890 0.265036 O\n0.522021 0.265036 0.423890 O\n",
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"elements": [
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"Mn",
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],
"chemical_system": "C-Mn-Na-O-S",
"density": 2.717620757918601,
"density_atomic": 0.08128111965076901,
"volume": 713.5728475346028,
"volume_molar": 7.409027810978271,
"formula_full": "Na12 Mn4 C8 S2 O32",
"formula_reduced": "Na6Mn2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -414.92146069,
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"updated_at": "2021-11-28T01:37:38.283000Z",
"spacegroup": 203
},
{
"id": "mp-1185081",
"created_at": "2022-09-04T14:46:42.507725Z",
"structure_string": "K1 Eu3\n1.0\n5.885040 0.000000 0.000000\n0.000000 5.885040 0.000000\n0.000000 0.000000 5.885040\nK Eu\n1 3\ndirect\n0.000000 0.000000 0.000000 K\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.500000 0.000000 Eu\n",
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],
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"formula_full": "K1 Eu3",
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"spacegroup": 221
},
{
"id": "mp-831077",
"created_at": "2022-09-04T14:46:41.979321Z",
"structure_string": "Li12 Mn4 B8 S2 O32\n1.0\n0.000000 6.632109 6.632109\n6.632109 0.000000 6.632109\n6.632109 6.632109 0.000000\nLi Mn B S O\n12 4 8 2 32\ndirect\n0.529993 0.970007 0.970007 Li\n0.529993 0.529993 0.970007 Li\n0.279993 0.279993 0.720007 Li\n0.970007 0.529993 0.529993 Li\n0.720007 0.279993 0.720007 Li\n0.279993 0.720007 0.279993 Li\n0.529993 0.970007 0.529993 Li\n0.970007 0.529993 0.970007 Li\n0.279993 0.720007 0.720007 Li\n0.720007 0.279993 0.279993 Li\n0.720007 0.720007 0.279993 Li\n0.970007 0.970007 0.529993 Li\n0.125000 0.625000 0.125000 Mn\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.125000 0.125000 0.125000 Mn\n0.274934 0.908355 0.908355 B\n0.341645 0.341645 0.975066 B\n0.341645 0.341645 0.341645 B\n0.908355 0.274934 0.908355 B\n0.341645 0.975066 0.341645 B\n0.908355 0.908355 0.908355 B\n0.975066 0.341645 0.341645 B\n0.908355 0.908355 0.274934 B\n0.500000 0.500000 0.500000 S\n0.750000 0.750000 0.750000 S\n0.565209 0.565209 0.304372 O\n0.565209 0.565209 0.565209 O\n0.565209 0.304372 0.565209 O\n0.204963 0.497416 0.325581 O\n0.304372 0.565209 0.565209 O\n0.497416 0.204963 0.972040 O\n0.972040 0.325581 0.497416 O\n0.325581 0.497416 0.972040 O\n0.277960 0.045037 0.924419 O\n0.045037 0.277960 0.752584 O\n0.497416 0.325581 0.204963 O\n0.204963 0.325581 0.972040 O\n0.277960 0.752584 0.045037 O\n0.924419 0.045037 0.752584 O\n0.497416 0.972040 0.325581 O\n0.325581 0.972040 0.204963 O\n0.924419 0.277960 0.045037 O\n0.325581 0.204963 0.497416 O\n0.752584 0.277960 0.924419 O\n0.972040 0.497416 0.204963 O\n0.045037 0.924419 0.277960 O\n0.752584 0.924419 0.045037 O\n0.204963 0.972040 0.497416 O\n0.972040 0.204963 0.325581 O\n0.924419 0.752584 0.277960 O\n0.277960 0.924419 0.752584 O\n0.752584 0.045037 0.277960 O\n0.945628 0.684791 0.684791 O\n0.045037 0.752584 0.924419 O\n0.684791 0.945628 0.684791 O\n0.684791 0.684791 0.684791 O\n0.684791 0.684791 0.945628 O\n",
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"formula_full": "Li12 Mn4 B8 S2 O32",
"formula_reduced": "Li6Mn2B4SO16",
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},
{
"id": "mp-774424",
"created_at": "2022-09-04T14:46:42.425171Z",
"structure_string": "Li4 Mn4 V4 O16\n1.0\n6.085600 -0.000164 0.000029\n-0.000164 6.085879 -0.000057\n0.000040 -0.000077 8.359073\nLi Mn V O\n4 4 4 16\ndirect\n0.000018 0.250180 0.000022 Li\n0.000013 0.749889 0.500002 Li\n0.250172 0.000032 0.249987 Li\n0.749877 0.000015 0.749999 Li\n0.253782 0.253764 0.624990 Mn\n0.253822 0.746155 0.874991 Mn\n0.746106 0.253756 0.375026 Mn\n0.746202 0.746213 0.124989 Mn\n0.500034 0.773735 0.499993 V\n0.773745 0.500014 0.750003 V\n0.226229 0.500009 0.250004 V\n0.499994 0.226255 0.999993 V\n0.041618 0.273335 0.258122 O\n0.041621 0.726685 0.241885 O\n0.273308 0.041644 0.991869 O\n0.273381 0.958349 0.508108 O\n0.726668 0.041631 0.008121 O\n0.726728 0.958337 0.491884 O\n0.958365 0.273334 0.741881 O\n0.958366 0.726676 0.758132 O\n0.271828 0.484639 0.025505 O\n0.271836 0.515362 0.474506 O\n0.484609 0.271833 0.224496 O\n0.484640 0.728163 0.275501 O\n0.515358 0.271838 0.775495 O\n0.515378 0.728160 0.724495 O\n0.728154 0.515358 0.525503 O\n0.728150 0.484638 0.974502 O\n",
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],
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"formula_full": "Li4 Mn4 V4 O16",
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"updated_at": "2021-11-28T01:37:48.743000Z",
"spacegroup": 95
}
]
}