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{
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"results": [
{
"id": "mp-1020027",
"created_at": "2022-09-04T14:43:12.184488Z",
"structure_string": "Li16 P8 O28\n1.0\n5.300503 0.000000 0.000000\n0.000000 8.596584 0.000000\n0.000000 5.262755 12.922251\nLi P O\n16 8 28\ndirect\n0.680375 0.443559 0.309210 Li\n0.819625 0.443559 0.809210 Li\n0.319625 0.556441 0.690790 Li\n0.180375 0.556441 0.190790 Li\n0.658147 0.050976 0.419341 Li\n0.841853 0.050976 0.919341 Li\n0.341853 0.949024 0.580659 Li\n0.158147 0.949024 0.080659 Li\n0.865939 0.114349 0.233689 Li\n0.634061 0.114349 0.733689 Li\n0.134061 0.885651 0.766311 Li\n0.365939 0.885651 0.266311 Li\n0.312286 0.539403 0.418123 Li\n0.187714 0.539403 0.918123 Li\n0.687714 0.460597 0.581877 Li\n0.812286 0.460597 0.081877 Li\n0.344012 0.265184 0.110362 P\n0.155988 0.265184 0.610362 P\n0.655988 0.734816 0.889638 P\n0.844012 0.734816 0.389638 P\n0.155396 0.244788 0.393136 P\n0.344604 0.244788 0.893136 P\n0.844604 0.755212 0.606864 P\n0.655396 0.755212 0.106864 P\n0.302236 0.081388 0.432809 O\n0.197764 0.081388 0.932809 O\n0.697764 0.918612 0.567191 O\n0.802236 0.918612 0.067191 O\n0.900877 0.233833 0.343262 O\n0.599123 0.233833 0.843262 O\n0.099123 0.766167 0.656738 O\n0.400877 0.766167 0.156738 O\n0.310726 0.398941 0.326311 O\n0.189274 0.398941 0.826311 O\n0.689274 0.601059 0.673689 O\n0.810726 0.601059 0.173689 O\n0.075631 0.290792 0.492257 O\n0.424369 0.290792 0.992257 O\n0.924369 0.709208 0.507743 O\n0.575631 0.709208 0.007743 O\n0.674700 0.581810 0.405168 O\n0.825300 0.581810 0.905168 O\n0.325300 0.418190 0.594832 O\n0.174700 0.418190 0.094832 O\n0.098307 0.730483 0.340286 O\n0.401693 0.730483 0.840286 O\n0.901693 0.269517 0.659714 O\n0.598307 0.269517 0.159714 O\n0.701663 0.902435 0.338604 O\n0.798337 0.902435 0.838604 O\n0.298337 0.097565 0.661396 O\n0.201663 0.097565 0.161396 O\n",
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],
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"volume_molar": 6.819126186186421,
"formula_full": "Li16 P8 O28",
"formula_reduced": "Li4P2O7",
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"energy": -354.13332325,
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"spacegroup": 14
},
{
"id": "mp-25879",
"created_at": "2022-09-04T14:48:20.632314Z",
"structure_string": "Li4 Ni12 P12 O44\n1.0\n9.515472 0.000000 0.000000\n0.000000 9.741677 0.000000\n0.000000 5.014151 8.795176\nLi Ni P O\n4 12 12 44\ndirect\n0.178492 0.680922 0.798017 Li\n0.678492 0.319078 0.701983 Li\n0.321508 0.680922 0.298017 Li\n0.821508 0.319078 0.201983 Li\n0.865932 0.729189 0.627241 Ni\n0.627650 0.094007 0.399266 Ni\n0.365932 0.270811 0.872759 Ni\n0.368110 0.082551 0.235558 Ni\n0.868110 0.917449 0.264442 Ni\n0.872350 0.094007 0.899266 Ni\n0.127650 0.905993 0.100734 Ni\n0.131890 0.082551 0.735558 Ni\n0.631890 0.917449 0.764442 Ni\n0.634068 0.729189 0.127241 Ni\n0.372350 0.905993 0.600734 Ni\n0.134068 0.270811 0.372759 Ni\n0.438857 0.405234 0.242362 P\n0.925427 0.761972 0.927970 P\n0.938857 0.594766 0.257638 P\n0.338340 0.889429 0.933996 P\n0.838340 0.110571 0.566004 P\n0.574573 0.761972 0.427970 P\n0.425427 0.238028 0.572030 P\n0.161660 0.889429 0.433996 P\n0.661660 0.110571 0.066004 P\n0.061143 0.405234 0.742362 P\n0.074573 0.238028 0.072030 P\n0.561143 0.594766 0.757638 P\n0.023891 0.381671 0.914560 O\n0.280733 0.422083 0.227083 O\n0.476109 0.381671 0.414560 O\n0.528566 0.543064 0.136582 O\n0.513650 0.753694 0.745057 O\n0.275228 0.764545 0.086258 O\n0.028566 0.456936 0.363418 O\n0.976109 0.618329 0.085440 O\n0.780733 0.577917 0.272917 O\n0.770953 0.948793 0.590140 O\n0.765038 0.774900 0.934615 O\n0.272140 0.878791 0.796229 O\n0.224772 0.764545 0.586258 O\n0.719267 0.577917 0.772917 O\n0.523891 0.618329 0.585440 O\n0.471434 0.456936 0.863418 O\n0.486350 0.246306 0.254943 O\n0.019473 0.267785 0.196224 O\n0.971434 0.543064 0.636582 O\n0.775228 0.235455 0.413742 O\n0.219267 0.422083 0.727083 O\n0.229047 0.051207 0.409860 O\n0.234962 0.225100 0.065385 O\n0.727860 0.121209 0.203771 O\n0.724772 0.235455 0.913742 O\n0.500371 0.111620 0.064442 O\n0.002016 0.084716 0.084275 O\n0.502016 0.915284 0.415725 O\n0.013650 0.246306 0.754943 O\n0.480527 0.267785 0.696224 O\n0.000371 0.888380 0.435558 O\n0.227860 0.878791 0.296229 O\n0.734962 0.774900 0.434615 O\n0.729047 0.948793 0.090140 O\n0.270953 0.051207 0.909860 O\n0.265038 0.225100 0.565385 O\n0.772140 0.121209 0.703771 O\n0.999629 0.111620 0.564442 O\n0.519473 0.732215 0.303776 O\n0.986350 0.753694 0.245057 O\n0.497984 0.084716 0.584275 O\n0.997984 0.915284 0.915725 O\n0.499629 0.888380 0.935558 O\n0.980527 0.732215 0.803776 O\n",
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"elements": [
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"volume": 815.2833929311863,
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"formula_full": "Li4 Ni12 P12 O44",
"formula_reduced": "LiNi3P3O11",
"formula_anonymous": "AB3C3D11",
"energy": -522.30451814,
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"updated_at": "2021-11-28T01:39:30.437000Z",
"spacegroup": 14
},
{
"id": "mp-1275592",
"created_at": "2022-09-04T14:47:36.520739Z",
"structure_string": "Li4 V10 O20\n1.0\n-1.122606 4.997980 -0.407664\n-2.248669 1.800025 7.216274\n10.350346 -0.146133 0.586518\nLi V O\n4 10 20\ndirect\n0.544532 0.398318 0.107207 Li\n0.544502 0.398291 0.607174 Li\n0.456551 0.599455 0.396351 Li\n0.456682 0.599338 0.896277 Li\n0.498272 0.003886 0.001254 V\n0.016462 0.685825 0.568492 V\n0.986762 0.314856 0.435622 V\n0.956294 0.893441 0.345827 V\n0.040492 0.103725 0.652673 V\n0.498049 0.004040 0.501204 V\n0.016572 0.685803 0.068517 V\n0.986776 0.314866 0.935627 V\n0.956406 0.893474 0.845807 V\n0.040608 0.103704 0.152678 V\n0.215791 0.865096 0.024537 O\n0.215600 0.865092 0.524537 O\n0.781632 0.130220 0.467507 O\n0.781625 0.130218 0.967530 O\n0.779489 0.511532 0.033019 O\n0.779429 0.511525 0.532989 O\n0.219808 0.495964 0.469324 O\n0.219896 0.495951 0.969317 O\n0.785721 0.932680 0.160914 O\n0.785569 0.932737 0.660921 O\n0.207190 0.054032 0.340111 O\n0.207138 0.054084 0.840113 O\n0.272315 0.222958 0.090852 O\n0.272290 0.222963 0.590881 O\n0.733940 0.782944 0.399904 O\n0.734127 0.782955 0.899916 O\n0.170628 0.689585 0.243701 O\n0.170651 0.689592 0.743678 O\n0.834121 0.315411 0.262752 O\n0.834083 0.315439 0.762786 O\n",
"nsites": 34,
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"elements": [
"Li",
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],
"chemical_system": "Li-O-V",
"density": 3.697155126002787,
"density_atomic": 0.0883145072072666,
"volume": 384.98771125116406,
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"formula_full": "Li4 V10 O20",
"formula_reduced": "Li2V5O10",
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"energy": -280.87204399,
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},
{
"id": "mp-1254079",
"created_at": "2022-09-04T14:39:15.922901Z",
"structure_string": "Mn2 Al2 W4 O16\n1.0\n5.123426 0.062064 -0.196733\n0.068264 5.700863 -0.026714\n0.041192 -0.042246 9.304098\nMn Al W O\n2 2 4 16\ndirect\n0.749900 0.346312 0.257690 Mn\n0.249595 0.653270 0.742486 Mn\n0.244538 0.653329 0.264695 Al\n0.755365 0.346677 0.735321 Al\n0.244327 0.169564 0.998858 W\n0.755764 0.830408 0.001104 W\n0.250321 0.162020 0.502683 W\n0.749722 0.837976 0.497392 W\n0.372676 0.396075 0.123779 O\n0.121807 0.393435 0.369417 O\n0.627530 0.604009 0.876181 O\n0.878199 0.606453 0.630570 O\n0.416166 0.888544 0.607860 O\n0.062952 0.885272 0.891436 O\n0.583681 0.111395 0.392227 O\n0.937285 0.114929 0.108493 O\n0.934842 0.647163 0.137957 O\n0.565976 0.638465 0.353607 O\n0.065353 0.352843 0.862019 O\n0.433946 0.361608 0.646327 O\n0.429452 0.887449 0.108056 O\n0.570622 0.112746 0.891856 O\n0.078184 0.881474 0.381711 O\n0.921793 0.118586 0.618277 O\n",
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"elements": [
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],
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"formula_full": "Mn2 Al2 W4 O16",
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{
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"structure_string": "Mn2 Cr4 O8\n1.0\n1.748860 4.960097 3.029110\n-5.265789 0.000008 3.040205\n5.259383 -0.004534 3.029107\nMn Cr O\n2 4 8\ndirect\n0.125011 0.125013 0.250024 Mn\n0.875052 0.875051 0.750103 Mn\n0.500134 0.999688 0.499827 Cr\n0.500135 0.500138 0.499828 Cr\n0.999689 0.500137 0.000273 Cr\n0.500015 0.500013 0.000026 Cr\n0.264018 0.264017 0.528034 O\n0.736224 0.291564 0.027788 O\n0.736224 0.736224 0.027788 O\n0.291565 0.736224 0.472448 O\n0.263733 0.263733 0.972255 O\n0.708522 0.263733 0.527465 O\n0.263733 0.708522 0.972255 O\n0.735944 0.735944 0.471888 O\n",
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"formula_full": "Mn2 Cr4 O8",
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},
{
"id": "mp-752996",
"created_at": "2022-09-04T14:45:42.763348Z",
"structure_string": "Mn8 O8 F8\n1.0\n4.597244 0.000000 0.000000\n0.173235 5.720396 0.000000\n0.175734 0.114482 10.333462\nMn O F\n8 8 8\ndirect\n0.997478 0.845695 0.387808 Mn\n0.001921 0.145136 0.630906 Mn\n0.030653 0.823927 0.889867 Mn\n0.010903 0.153864 0.134692 Mn\n0.510284 0.654705 0.117560 Mn\n0.504730 0.647476 0.617261 Mn\n0.532299 0.377042 0.862034 Mn\n0.500176 0.345625 0.362524 Mn\n0.210280 0.882352 0.547925 O\n0.228196 0.889033 0.048598 O\n0.211466 0.114892 0.298811 O\n0.295941 0.607706 0.781175 O\n0.736781 0.626841 0.961401 O\n0.745102 0.386528 0.701515 O\n0.710554 0.613165 0.451708 O\n0.715511 0.380676 0.201067 O\n0.245804 0.108860 0.794923 F\n0.251314 0.375618 0.524936 F\n0.247201 0.615884 0.270288 F\n0.266093 0.383613 0.019158 F\n0.780263 0.886585 0.728438 F\n0.773792 0.137221 0.961088 F\n0.756385 0.885598 0.227969 F\n0.736876 0.111956 0.478349 F\n",
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"formula_full": "Mn8 O8 F8",
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{
"id": "mp-572788",
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"structure_string": "La2 Fe24 O38\n1.0\n3.036085 -5.162069 0.000000\n3.036085 5.162069 0.000000\n0.000000 0.000000 23.119006\nLa Fe O\n2 24 38\ndirect\n0.362387 0.637613 0.750000 La\n0.637613 0.362387 0.250000 La\n0.335351 0.664649 0.027905 Fe\n0.335351 0.664649 0.472095 Fe\n0.670199 0.329801 0.810260 Fe\n0.664649 0.335351 0.527905 Fe\n0.333037 0.168623 0.108932 Fe\n0.001431 0.998569 0.750000 Fe\n0.998569 0.001431 0.250000 Fe\n0.169998 0.830002 0.610323 Fe\n0.830002 0.169998 0.110323 Fe\n0.168623 0.333037 0.891068 Fe\n0.831377 0.666963 0.391068 Fe\n0.664649 0.335351 0.972095 Fe\n0.333037 0.168623 0.391068 Fe\n0.329801 0.670199 0.189740 Fe\n0.168623 0.333037 0.608932 Fe\n0.000000 0.000000 0.000000 Fe\n0.169998 0.830002 0.889677 Fe\n0.666963 0.831377 0.608932 Fe\n0.831377 0.666963 0.108932 Fe\n0.000000 0.000000 0.500000 Fe\n0.670199 0.329801 0.689740 Fe\n0.830002 0.169998 0.389677 Fe\n0.666963 0.831377 0.891068 Fe\n0.329801 0.670199 0.310260 Fe\n0.362269 0.213421 0.750000 O\n0.495379 0.504621 0.847156 O\n0.851744 0.693837 0.945206 O\n0.490614 0.975042 0.657054 O\n0.846158 0.153842 0.555827 O\n0.024958 0.509386 0.657054 O\n0.504621 0.495379 0.152844 O\n0.693837 0.851744 0.445206 O\n0.815868 0.184132 0.750000 O\n0.184132 0.815868 0.250000 O\n0.786579 0.637731 0.750000 O\n0.998725 0.001275 0.154923 O\n0.213421 0.362269 0.250000 O\n0.148256 0.306163 0.054794 O\n0.509386 0.024958 0.342946 O\n0.001275 0.998725 0.654923 O\n0.504621 0.495379 0.347156 O\n0.306163 0.148256 0.945206 O\n0.998725 0.001275 0.345077 O\n0.153842 0.846158 0.444173 O\n0.664616 0.335384 0.058720 O\n0.306163 0.148256 0.554794 O\n0.975042 0.490614 0.157054 O\n0.001275 0.998725 0.845077 O\n0.664616 0.335384 0.441280 O\n0.509386 0.024958 0.157054 O\n0.637731 0.786579 0.250000 O\n0.148256 0.306163 0.445206 O\n0.335384 0.664616 0.558720 O\n0.975042 0.490614 0.342946 O\n0.846158 0.153842 0.944173 O\n0.335384 0.664616 0.941280 O\n0.851744 0.693837 0.554794 O\n0.693837 0.851744 0.054794 O\n0.490614 0.975042 0.842946 O\n0.153842 0.846158 0.055827 O\n0.495379 0.504621 0.652844 O\n0.024958 0.509386 0.842946 O\n",
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"density": 5.100945302114906,
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"formula_full": "La2 Fe24 O38",
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