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"results": [
{
"id": "mp-1047193",
"created_at": "2022-09-04T14:48:17.832262Z",
"structure_string": "Mg2 Ag1 W1 O6\n1.0\n2.775538 -2.826236 -3.679682\n-0.169218 5.828497 -0.307902\n-0.008542 -0.337973 7.656398\nMg Ag W O\n2 1 1 6\ndirect\n0.009452 0.577435 0.209255 Mg\n0.018599 0.591582 0.711532 Mg\n0.001171 0.007425 0.494098 Ag\n0.006463 0.984409 0.007835 W\n0.672693 0.770911 0.070722 O\n0.300605 0.091218 0.923239 O\n0.335653 0.436776 0.255864 O\n0.374564 0.770647 0.630189 O\n0.533122 0.088866 0.379707 O\n0.753452 0.519192 0.826986 O\n",
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{
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"structure_string": "Nb4 Ga4 Cu4\n1.0\n2.523675 -4.383236 0.000000\n2.523675 4.383236 0.000000\n0.000000 0.000000 7.928292\nNb Ga Cu\n4 4 4\ndirect\n0.333791 0.666209 0.181787 Nb\n0.665550 0.334450 0.314863 Nb\n0.665550 0.334450 0.685137 Nb\n0.333791 0.666209 0.818213 Nb\n0.828852 0.171148 0.000000 Ga\n0.170113 0.341481 0.500000 Ga\n0.658519 0.829887 0.500000 Ga\n0.170938 0.829062 0.500000 Ga\n0.000934 0.999066 0.248784 Cu\n0.000934 0.999066 0.751216 Cu\n0.829961 0.658777 0.000000 Cu\n0.341223 0.170039 0.000000 Cu\n",
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"formula_full": "Nb4 Ga4 Cu4",
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"updated_at": "2021-11-28T01:38:54.165000Z",
"spacegroup": 38
},
{
"id": "mp-642855",
"created_at": "2022-09-04T14:48:17.835640Z",
"structure_string": "Mg6 Ge2\n1.0\n3.476328 -6.021177 0.000000\n3.476328 6.021177 0.000000\n0.000000 0.000000 4.252652\nMg Ge\n6 2\ndirect\n0.627486 0.712555 0.750000 Mg\n0.287445 0.914930 0.750000 Mg\n0.085070 0.372514 0.750000 Mg\n0.372514 0.287445 0.250000 Mg\n0.712555 0.085070 0.250000 Mg\n0.914930 0.627486 0.250000 Mg\n0.666667 0.333333 0.750000 Ge\n0.333333 0.666667 0.250000 Ge\n",
"nsites": 8,
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"elements": [
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"density": 2.715277621487484,
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"formula_full": "Mg6 Ge2",
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"formula_anonymous": "AB3",
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"updated_at": "2021-11-28T01:38:44.787000Z",
"spacegroup": 176
},
{
"id": "mp-1517146",
"created_at": "2022-09-04T14:48:17.845177Z",
"structure_string": "Na1 Nd1 Zr1 Ti1 O6\n1.0\n-0.000000 -4.019256 -4.019256\n4.019256 -0.000000 -4.019256\n4.019256 -4.019256 -0.000000\nNa Nd Zr Ti O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Na\n0.750000 0.750000 0.750000 Nd\n0.500000 0.500000 0.500000 Zr\n0.000000 -0.000000 0.000000 Ti\n0.758235 0.241765 0.241765 O\n0.241765 0.758235 0.758235 O\n0.758235 0.241765 0.758235 O\n0.241765 0.758235 0.241765 O\n0.758235 0.758235 0.241765 O\n0.241765 0.241765 0.758235 O\n",
"nsites": 10,
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"elements": [
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],
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"density_atomic": 0.0770074953088226,
"volume": 129.8574893248647,
"volume_molar": 7.8202007945453245,
"formula_full": "Na1 Nd1 Zr1 Ti1 O6",
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"updated_at": "2021-11-28T01:38:50.637000Z",
"spacegroup": 216
},
{
"id": "mp-1187209",
"created_at": "2022-09-04T14:48:17.856448Z",
"structure_string": "Ta2 Ti1 W1\n1.0\n0.000000 3.256824 3.256824\n3.256824 0.000000 3.256824\n3.256824 3.256824 0.000000\nTa Ti W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Ta\n0.750000 0.750000 0.750000 Ta\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
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"elements": [
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"W"
],
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"density": 14.266983010646229,
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"volume": 69.08962969157808,
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"formula_anonymous": "ABC2",
"energy": -44.67165373,
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"updated_at": "2021-11-28T01:38:58.136000Z",
"spacegroup": 225
},
{
"id": "mp-779301",
"created_at": "2022-09-04T14:48:18.112022Z",
"structure_string": "Li12 Mn3 V5 P12 O48\n1.0\n8.694611 0.000000 0.000000\n0.022997 8.708304 0.000000\n0.294345 0.065053 12.326275\nLi Mn V P O\n12 3 5 12 48\ndirect\n0.924705 0.085556 0.695626 Li\n0.919857 0.696809 0.759561 Li\n0.789270 0.779056 0.177785 Li\n0.709237 0.279297 0.324629 Li\n0.580432 0.195949 0.740693 Li\n0.576225 0.582894 0.803584 Li\n0.420960 0.418911 0.198092 Li\n0.418778 0.803879 0.263111 Li\n0.294427 0.716259 0.674485 Li\n0.206290 0.217052 0.825445 Li\n0.085351 0.304154 0.238237 Li\n0.077489 0.920325 0.301004 Li\n0.747748 0.960066 0.391822 Mn\n0.253078 0.964378 0.104354 Mn\n0.247644 0.465991 0.395536 Mn\n0.752568 0.531147 0.608023 V\n0.748205 0.030506 0.891908 V\n0.752033 0.459495 0.110336 V\n0.254149 0.038363 0.609793 V\n0.246280 0.538228 0.889912 V\n0.965382 0.252941 0.493415 P\n0.895233 0.384027 0.852095 P\n0.896507 0.101464 0.149201 P\n0.600915 0.599339 0.350474 P\n0.605435 0.884344 0.646738 P\n0.536040 0.747005 0.007391 P\n0.460403 0.249632 0.994427 P\n0.396257 0.117001 0.355729 P\n0.397044 0.395238 0.652341 P\n0.104102 0.896450 0.847459 P\n0.102983 0.618139 0.143646 P\n0.039439 0.752531 0.506223 P\n0.954240 0.868476 0.432735 O\n0.924708 0.885048 0.850889 O\n0.932530 0.684094 0.596206 O\n0.928639 0.597044 0.167368 O\n0.898415 0.370618 0.574260 O\n0.856568 0.215133 0.819114 O\n0.851615 0.412047 0.971392 O\n0.854063 0.979975 0.239773 O\n0.842953 0.264678 0.186074 O\n0.834388 0.178809 0.431325 O\n0.828849 0.050672 0.043383 O\n0.804384 0.501855 0.781526 O\n0.696155 0.001806 0.716293 O\n0.670989 0.549915 0.456406 O\n0.668008 0.666918 0.068858 O\n0.650217 0.760430 0.309267 O\n0.640571 0.909622 0.525428 O\n0.644092 0.715571 0.680867 O\n0.641755 0.476437 0.261155 O\n0.607679 0.865711 0.929067 O\n0.567255 0.180542 0.904461 O\n0.576514 0.384289 0.649383 O\n0.571493 0.097450 0.333007 O\n0.545550 0.364177 0.067018 O\n0.451137 0.632880 0.935043 O\n0.430287 0.904729 0.668258 O\n0.420099 0.608339 0.353393 O\n0.429905 0.817098 0.097970 O\n0.394165 0.129540 0.075378 O\n0.359763 0.515865 0.743792 O\n0.356507 0.286001 0.321051 O\n0.358346 0.094691 0.477221 O\n0.343133 0.231963 0.689851 O\n0.326306 0.328939 0.934877 O\n0.326465 0.451926 0.549545 O\n0.304160 0.997937 0.290950 O\n0.196486 0.499477 0.209257 O\n0.174477 0.953417 0.950018 O\n0.173025 0.832582 0.566257 O\n0.158911 0.734313 0.809720 O\n0.140224 0.017887 0.755445 O\n0.141004 0.597054 0.022736 O\n0.141402 0.787966 0.177857 O\n0.107805 0.634037 0.426648 O\n0.069896 0.404012 0.830813 O\n0.073329 0.324473 0.403045 O\n0.076532 0.111708 0.148100 O\n0.050547 0.135432 0.564446 O\n",
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"elements": [
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],
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"density": 2.922341377654972,
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"volume": 933.2878036431758,
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"formula_full": "Li12 Mn3 V5 P12 O48",
"formula_reduced": "Li12Mn3V5(PO4)12",
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"spacegroup": 1
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{
"id": "mp-1179393",
"created_at": "2022-09-04T14:48:17.826288Z",
"structure_string": "Tl4 B20 O48\n1.0\n10.108642 0.000000 0.074401\n0.000000 7.513984 0.000000\n1.003198 0.000000 12.402061\nTl B O\n4 20 48\ndirect\n0.264951 0.260199 0.960697 Tl\n0.735049 0.760199 0.539303 Tl\n0.735049 0.739801 0.039303 Tl\n0.264951 0.239801 0.460697 Tl\n0.772424 0.186128 0.847734 B\n0.227576 0.686128 0.652266 B\n0.227576 0.813872 0.152266 B\n0.772424 0.313872 0.347734 B\n0.526915 0.246484 0.855907 B\n0.473085 0.746484 0.644093 B\n0.473085 0.753516 0.144093 B\n0.526915 0.253516 0.355907 B\n0.604495 0.939406 0.879496 B\n0.395505 0.439406 0.620504 B\n0.395505 0.060594 0.120504 B\n0.604495 0.560594 0.379496 B\n0.984221 0.228845 0.926032 B\n0.015779 0.728845 0.573968 B\n0.015779 0.771155 0.073968 B\n0.984221 0.271155 0.426032 B\n0.985701 0.158910 0.736945 B\n0.014299 0.658910 0.763055 B\n0.014299 0.841090 0.263055 B\n0.985701 0.341090 0.236945 B\n0.656023 0.301932 0.843658 O\n0.343977 0.801932 0.656342 O\n0.343977 0.698068 0.156342 O\n0.656023 0.198068 0.343658 O\n0.732453 0.000491 0.871144 O\n0.267547 0.500491 0.628856 O\n0.267547 0.999509 0.128856 O\n0.732453 0.499509 0.371144 O\n0.851199 0.242249 0.936592 O\n0.148801 0.742249 0.563408 O\n0.148801 0.757751 0.063408 O\n0.851199 0.257751 0.436592 O\n0.853008 0.183602 0.741830 O\n0.146992 0.683602 0.758170 O\n0.146992 0.816398 0.258170 O\n0.853008 0.316398 0.241830 O\n0.501358 0.060267 0.867974 O\n0.498642 0.560267 0.632026 O\n0.498642 0.939733 0.132026 O\n0.501358 0.439733 0.367974 O\n0.056885 0.195454 0.826112 O\n0.943115 0.695454 0.673888 O\n0.943115 0.804546 0.173888 O\n0.056885 0.304546 0.326112 O\n0.421984 0.360711 0.857366 O\n0.578016 0.860711 0.642634 O\n0.578016 0.639289 0.142634 O\n0.421984 0.139289 0.357366 O\n0.579686 0.767398 0.913588 O\n0.420314 0.267398 0.586412 O\n0.420314 0.232602 0.086412 O\n0.579686 0.732602 0.413588 O\n0.062427 0.230599 0.013014 O\n0.937573 0.730599 0.486986 O\n0.937573 0.769401 0.986986 O\n0.062427 0.269401 0.513014 O\n0.056011 0.078979 0.647737 O\n0.943989 0.578979 0.852263 O\n0.943989 0.921021 0.352263 O\n0.056011 0.421021 0.147737 O\n0.271148 0.100853 0.687477 O\n0.728852 0.600853 0.812523 O\n0.728852 0.899147 0.312523 O\n0.271148 0.399147 0.187477 O\n0.710705 0.453649 0.593257 O\n0.289295 0.953649 0.906743 O\n0.289295 0.546351 0.406743 O\n0.710705 0.046351 0.093257 O\n",
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{
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"structure_string": "Mg1 Ga4 P6 H6 O18\n1.0\n8.493994 -0.235420 0.000000\n-4.447272 7.640363 0.000000\n0.000000 0.000000 7.081763\nMg Ga P H O\n1 4 6 6 18\ndirect\n0.327944 0.382155 0.750000 Mg\n0.342179 0.696577 0.570596 Ga\n0.670918 0.338290 0.047227 Ga\n0.670918 0.338290 0.452773 Ga\n0.342179 0.696577 0.929404 Ga\n0.859778 0.191949 0.750000 P\n0.621345 0.979482 0.250000 P\n0.352605 0.404414 0.250000 P\n0.752359 0.639986 0.750000 P\n0.359647 0.089269 0.750000 P\n0.041302 0.658070 0.250000 P\n0.886388 0.822795 0.750000 H\n0.969558 0.769025 0.250000 H\n0.814281 0.061168 0.250000 H\n0.165861 0.006665 0.750000 H\n0.753107 0.005962 0.750000 H\n0.212275 0.223346 0.250000 H\n0.061526 0.243687 0.750000 O\n0.580018 0.134769 0.250000 O\n0.542052 0.412477 0.250000 O\n0.560894 0.616470 0.750000 O\n0.154173 0.701062 0.068258 O\n0.423528 0.219837 0.577679 O\n0.785030 0.565701 0.568884 O\n0.327599 0.481252 0.064347 O\n0.553661 0.868950 0.068847 O\n0.809119 0.254009 0.569722 O\n0.809119 0.254009 0.930278 O\n0.553661 0.868950 0.431153 O\n0.327599 0.481252 0.435653 O\n0.785030 0.565701 0.931116 O\n0.423528 0.219837 0.922321 O\n0.154173 0.701062 0.431742 O\n0.873354 0.459879 0.250000 O\n0.416622 0.955409 0.750000 O\n",
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{
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{
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{
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}