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{
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"results": [
{
"id": "mp-1046238",
"created_at": "2022-09-04T14:47:58.367696Z",
"structure_string": "Mg1 Sb4 O8\n1.0\n1.588242 8.802610 0.000000\n-1.588242 8.802610 0.000000\n0.000000 4.359653 8.762996\nMg Sb O\n1 4 8\ndirect\n0.303924 0.303924 0.208528 Mg\n0.667310 0.667310 0.527495 Sb\n0.108823 0.108823 0.213252 Sb\n0.849117 0.849117 0.867462 Sb\n0.348326 0.348326 0.510059 Sb\n0.845158 0.845158 0.648627 O\n0.431094 0.431094 0.786599 O\n0.535405 0.535405 0.325337 O\n0.172695 0.172695 0.339901 O\n0.215854 0.215854 0.615277 O\n0.838681 0.838681 0.074437 O\n0.792099 0.792099 0.373063 O\n0.266174 0.266174 0.918753 O\n",
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{
"id": "mp-1275591",
"created_at": "2022-09-04T14:47:58.370905Z",
"structure_string": "Li4 Ti4 V6 O20\n1.0\n5.208776 -0.134158 0.245002\n1.962022 6.558777 7.110207\n-1.123593 -3.355098 7.632185\nLi Ti V O\n4 4 6 20\ndirect\n0.751057 0.477107 0.918078 Li\n0.238489 0.967826 0.426230 Li\n0.261538 0.532179 0.073801 Li\n0.748874 0.022944 0.581938 Li\n0.786319 0.348313 0.334204 Ti\n0.276512 0.846240 0.839941 Ti\n0.223436 0.653754 0.660023 Ti\n0.713760 0.151670 0.165832 Ti\n0.249941 0.750042 0.250010 V\n0.265601 0.422079 0.464280 V\n0.234544 0.077825 0.035700 V\n0.750113 0.249959 0.750052 V\n0.762626 0.929736 0.968248 V\n0.737421 0.570231 0.531743 V\n0.512468 0.533209 0.324266 O\n0.017249 0.046222 0.826133 O\n0.482760 0.453795 0.673812 O\n0.987485 0.966781 0.175723 O\n0.418991 0.640428 0.864457 O\n0.905704 0.140470 0.372995 O\n0.594352 0.359510 0.127066 O\n0.080838 0.859618 0.635469 O\n0.446451 0.870953 0.078103 O\n0.956792 0.356249 0.567959 O\n0.543195 0.143750 0.932060 O\n0.053539 0.629089 0.421839 O\n0.967842 0.247732 0.970676 O\n0.436273 0.748219 0.468509 O\n0.063686 0.751830 0.031477 O\n0.532215 0.252189 0.529412 O\n0.066502 0.423355 0.259334 O\n0.554488 0.924554 0.766849 O\n0.945347 0.575441 0.733134 O\n0.433593 0.076700 0.240645 O\n",
"nsites": 34,
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"elements": [
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],
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"volume": 388.2709741805067,
"volume_molar": 6.877124880992168,
"formula_full": "Li4 Ti4 V6 O20",
"formula_reduced": "Li2Ti2V3O10",
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"updated_at": "2021-11-28T01:38:24.114000Z",
"spacegroup": 2
},
{
"id": "mp-1521441",
"created_at": "2022-09-04T14:47:58.371749Z",
"structure_string": "Sr1 La1 Cr1 Sn1 O6\n1.0\n0.000000 -4.021421 -4.021421\n4.021421 0.000000 -4.021421\n4.021421 -4.021421 0.000000\nSr La Cr Sn O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 La\n0.000000 0.000000 0.000000 Cr\n0.500000 0.500000 0.500000 Sn\n0.753333 0.246667 0.246667 O\n0.246667 0.753333 0.753333 O\n0.753333 0.246667 0.753333 O\n0.246667 0.753333 0.246667 O\n0.753333 0.753333 0.246667 O\n0.246667 0.246667 0.753333 O\n",
"nsites": 10,
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"elements": [
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"density": 6.2969199730913195,
"density_atomic": 0.0768831873940888,
"volume": 130.06744828023162,
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"formula_full": "Sr1 La1 Cr1 Sn1 O6",
"formula_reduced": "SrLaCrSnO6",
"formula_anonymous": "ABCDE6",
"energy": -78.04246230999999,
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"spacegroup": 216
},
{
"id": "mp-754490",
"created_at": "2022-09-04T14:47:58.429563Z",
"structure_string": "Ni4 Hg4 O8\n1.0\n4.813730 -2.779176 0.000835\n3.210964 5.561487 -0.000140\n0.001624 3.706566 6.066629\nNi Hg O\n4 4 8\ndirect\n0.499998 0.750479 0.499995 Ni\n0.000000 0.999525 0.500003 Ni\n0.500007 0.250497 0.500000 Ni\n0.999991 0.499501 0.500000 Ni\n0.000002 0.000074 0.000001 Hg\n0.500000 0.249925 0.000001 Hg\n0.000001 0.500075 0.000000 Hg\n0.499999 0.749925 0.999999 Hg\n0.111054 0.833078 0.333420 O\n0.611053 0.083481 0.333420 O\n0.111056 0.333079 0.333421 O\n0.611056 0.583480 0.333419 O\n0.888948 0.666517 0.666580 O\n0.388947 0.916922 0.666580 O\n0.888945 0.166520 0.666581 O\n0.388944 0.416921 0.666579 O\n",
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"elements": [
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"Hg",
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"density": 8.93386242046077,
"density_atomic": 0.07388158568574602,
"volume": 216.56275852085403,
"volume_molar": 8.151071344915453,
"formula_full": "Ni4 Hg4 O8",
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"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:38:28.754000Z",
"spacegroup": 166
},
{
"id": "mp-863012",
"created_at": "2022-09-04T14:47:58.376296Z",
"structure_string": "Cd4 H40 C12 N4 Cl12\n1.0\n6.835618 0.000000 0.000000\n0.000000 9.186837 0.000000\n0.000000 0.000000 14.585366\nCd H C N Cl\n4 40 12 4 12\ndirect\n0.000000 0.500000 0.500000 Cd\n0.500000 0.000000 0.000000 Cd\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 Cd\n0.250000 0.958371 0.755800 H\n0.250000 0.541629 0.255800 H\n0.750000 0.041629 0.244200 H\n0.750000 0.458371 0.744200 H\n0.250000 0.245760 0.663119 H\n0.250000 0.254240 0.163119 H\n0.750000 0.754240 0.336881 H\n0.750000 0.745760 0.836881 H\n0.119001 0.196579 0.765485 H\n0.380999 0.303421 0.265485 H\n0.619001 0.803421 0.234515 H\n0.880999 0.696579 0.734515 H\n0.880999 0.803421 0.234515 H\n0.619001 0.696579 0.734515 H\n0.380999 0.196579 0.765485 H\n0.119001 0.303421 0.265485 H\n0.065640 0.057045 0.583158 H\n0.434360 0.442955 0.083158 H\n0.565640 0.942955 0.416842 H\n0.934360 0.557045 0.916842 H\n0.934360 0.942955 0.416842 H\n0.565640 0.557045 0.916842 H\n0.434360 0.057045 0.583158 H\n0.065640 0.442955 0.083158 H\n0.075696 0.870667 0.621609 H\n0.424304 0.629333 0.121609 H\n0.575696 0.129333 0.378391 H\n0.924304 0.370667 0.878391 H\n0.924304 0.129333 0.378391 H\n0.575696 0.370667 0.878391 H\n0.424304 0.870667 0.621609 H\n0.075696 0.629333 0.121609 H\n0.942259 0.005588 0.686218 H\n0.557741 0.494412 0.186218 H\n0.442259 0.994412 0.313782 H\n0.057741 0.505588 0.813782 H\n0.057741 0.994412 0.313782 H\n0.442259 0.505588 0.813782 H\n0.557741 0.005588 0.686218 H\n0.942259 0.494412 0.186218 H\n0.250000 0.176891 0.724390 C\n0.250000 0.323109 0.224390 C\n0.750000 0.823109 0.275610 C\n0.750000 0.676891 0.775610 C\n0.069902 0.985031 0.642793 C\n0.430098 0.514969 0.142793 C\n0.569902 0.014969 0.357207 C\n0.930098 0.485031 0.857207 C\n0.930098 0.014969 0.357207 C\n0.569902 0.485031 0.857207 C\n0.430098 0.985031 0.642793 C\n0.069902 0.514969 0.142793 C\n0.250000 0.020923 0.695944 N\n0.250000 0.479077 0.195944 N\n0.750000 0.979077 0.304056 N\n0.750000 0.520923 0.804056 N\n0.250000 0.574783 0.634187 Cl\n0.250000 0.925217 0.134187 Cl\n0.750000 0.425217 0.365813 Cl\n0.750000 0.074783 0.865813 Cl\n0.250000 0.653099 0.391784 Cl\n0.250000 0.846901 0.891784 Cl\n0.750000 0.346901 0.608216 Cl\n0.750000 0.153099 0.108216 Cl\n0.250000 0.281960 0.472200 Cl\n0.250000 0.218040 0.972200 Cl\n0.750000 0.718040 0.527800 Cl\n0.750000 0.781960 0.027800 Cl\n",
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],
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"density_atomic": 0.07860883667360262,
"volume": 915.9275603957396,
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"formula_full": "Cd4 H40 C12 N4 Cl12",
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"spacegroup": 62
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{
"id": "mp-10094",
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"structure_string": "Tm5 Re2 O12\n1.0\n2.812424 6.142437 0.000000\n-2.812424 6.142437 0.000000\n0.000000 2.290406 7.088435\nTm Re O\n5 2 12\ndirect\n0.802265 0.802265 0.359492 Tm\n0.197735 0.197735 0.640508 Tm\n0.185647 0.185647 0.177538 Tm\n0.814353 0.814353 0.822462 Tm\n0.500000 0.500000 0.500000 Tm\n0.284984 0.715016 0.000000 Re\n0.715016 0.284984 0.000000 Re\n0.412821 0.921801 0.912838 O\n0.078199 0.587179 0.087162 O\n0.587179 0.078199 0.087162 O\n0.921801 0.412821 0.912838 O\n0.598562 0.094215 0.572557 O\n0.905785 0.401438 0.427443 O\n0.401438 0.905785 0.427443 O\n0.000713 0.000713 0.819077 O\n0.999287 0.999287 0.180923 O\n0.497937 0.497937 0.791619 O\n0.502063 0.502063 0.208381 O\n0.094215 0.598562 0.572557 O\n",
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{
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"structure_string": "K4 Ce4 Eu4 W4 O24\n1.0\n8.481485 0.000000 0.000000\n0.000000 8.525595 0.000000\n0.000000 0.000000 8.434420\nK Ce Eu W O\n4 4 4 4 24\ndirect\n0.500000 -0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n-0.000000 0.500000 0.000000 K\n-0.000000 -0.000000 0.500000 K\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n-0.000000 0.500000 0.500000 Eu\n0.500000 -0.000000 0.000000 Eu\n-0.000000 -0.000000 0.000000 Eu\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.013319 0.220519 0.274186 O\n0.986681 0.779481 0.274186 O\n0.986681 0.220519 0.725814 O\n0.013319 0.779481 0.725814 O\n0.278420 0.014567 0.206151 O\n0.278420 0.985433 0.793849 O\n0.721580 0.985433 0.206151 O\n0.721580 0.014567 0.793849 O\n0.217322 0.269521 0.022083 O\n0.782678 0.269521 0.977917 O\n0.217322 0.730479 0.977917 O\n0.782678 0.730479 0.022083 O\n0.486681 0.279481 0.225814 O\n0.513319 0.720519 0.225814 O\n0.513319 0.279481 0.774186 O\n0.486681 0.720519 0.774186 O\n0.221580 0.485433 0.293849 O\n0.221580 0.514567 0.706151 O\n0.778420 0.514567 0.293849 O\n0.778420 0.485433 0.706151 O\n0.282678 0.230479 0.477917 O\n0.717322 0.230479 0.522083 O\n0.282678 0.769521 0.522083 O\n0.717322 0.769521 0.477917 O\n",
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{
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"structure_string": "Li4 V2 O4 F4\n1.0\n0.000000 4.184207 4.184207\n-4.324792 4.125694 0.058514\n0.000000 -4.067180 4.067180\nLi V O F\n4 2 4 4\ndirect\n0.379306 0.741389 0.870694 Li\n0.620694 0.258611 0.129306 Li\n0.000000 0.000000 0.500000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.500000 V\n0.000000 0.500000 0.000000 V\n0.782847 0.506935 0.253468 O\n0.210217 0.506935 0.253468 O\n0.217153 0.493065 0.746532 O\n0.789783 0.493065 0.746532 O\n0.765415 0.969168 0.243291 F\n0.765415 0.969168 0.725878 F\n0.234585 0.030832 0.274122 F\n0.234585 0.030832 0.756709 F\n",
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{
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