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{
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"results": [
{
"id": "mp-1190906",
"created_at": "2022-09-04T14:48:24.796209Z",
"structure_string": "Zn2 N4 O16\n1.0\n6.255310 0.000000 0.000000\n0.000000 5.412057 0.000000\n0.000000 0.050911 8.503411\nZn N O\n2 4 16\ndirect\n0.500000 0.000000 0.000000 Zn\n0.000000 0.000000 0.500000 Zn\n0.840142 0.752733 0.807767 N\n0.340142 0.247267 0.692233 N\n0.159858 0.247267 0.192233 N\n0.659858 0.752733 0.307767 N\n0.855028 0.976062 0.751629 O\n0.355028 0.023938 0.748371 O\n0.144972 0.023938 0.248371 O\n0.644972 0.976062 0.251629 O\n0.931015 0.582400 0.740229 O\n0.431015 0.417600 0.759771 O\n0.068985 0.417600 0.259771 O\n0.568985 0.582400 0.240229 O\n0.730521 0.717893 0.931812 O\n0.230521 0.282107 0.568188 O\n0.269479 0.282107 0.068188 O\n0.769479 0.717893 0.431812 O\n0.248239 0.789906 0.038476 O\n0.748239 0.210094 0.461524 O\n0.751761 0.210094 0.961524 O\n0.251761 0.789906 0.538476 O\n",
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{
"id": "mp-28235",
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"structure_string": "Tl2 Cu4 O4\n1.0\n-2.790926 3.094674 4.527857\n2.790926 -3.094674 4.527857\n2.790926 3.094674 -4.527857\nTl Cu O\n2 4 4\ndirect\n0.143945 0.893945 0.250000 Tl\n0.856055 0.106055 0.750000 Tl\n0.500000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.500000 0.500000 Cu\n0.763701 0.298899 0.464802 O\n0.236299 0.701101 0.535198 O\n0.665903 0.701101 0.964802 O\n0.334097 0.298899 0.035198 O\n",
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},
{
"id": "mp-1207908",
"created_at": "2022-09-04T14:48:24.802868Z",
"structure_string": "V4 Cu1 O11\n1.0\n0.000000 3.602925 0.000000\n-0.177974 0.000000 7.376527\n7.354860 -1.801463 -1.872809\nV Cu O\n4 1 11\ndirect\n0.088927 0.137247 0.177853 V\n0.531987 0.454096 0.063974 V\n0.751294 0.465334 0.502588 V\n0.301541 0.134821 0.603081 V\n0.417760 0.791088 0.835519 Cu\n0.508710 0.664643 0.017420 O\n0.420546 0.301461 0.841092 O\n0.051962 0.392490 0.103923 O\n0.172195 0.014341 0.344390 O\n0.670181 0.584726 0.340361 O\n0.602337 0.216219 0.204673 O\n0.242058 0.383631 0.484116 O\n0.853336 0.634121 0.706672 O\n0.791291 0.203110 0.582582 O\n0.989275 0.969060 0.978549 O\n0.333504 0.935311 0.667007 O\n",
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"elements": [
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],
"chemical_system": "Cu-O-V",
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"formula_full": "V4 Cu1 O11",
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},
{
"id": "mp-1244614",
"created_at": "2022-09-04T14:48:24.812110Z",
"structure_string": "Li12 Mn8 P12 O48\n1.0\n8.542849 0.020312 -0.000466\n-0.478564 12.498476 -0.002890\n-0.000487 -0.002035 8.642880\nLi Mn P O\n12 8 12 48\ndirect\n0.082539 0.696415 0.091203 Li\n0.081232 0.759115 0.695590 Li\n0.210978 0.171115 0.782103 Li\n0.288990 0.329285 0.282125 Li\n0.417624 0.739265 0.194231 Li\n0.416671 0.802259 0.590479 Li\n0.582515 0.197149 0.408244 Li\n0.580879 0.260967 0.804556 Li\n0.711017 0.670629 0.716754 Li\n0.788789 0.829382 0.215667 Li\n0.917435 0.239997 0.305609 Li\n0.916633 0.303259 0.909926 Li\n0.248156 0.902330 0.039239 Mn\n0.251784 0.596358 0.539446 Mn\n0.253007 0.390829 0.957535 Mn\n0.248173 0.111894 0.455030 Mn\n0.753325 0.890242 0.543136 Mn\n0.748083 0.610611 0.043578 Mn\n0.748894 0.403045 0.460718 Mn\n0.749993 0.097088 0.959380 Mn\n0.962163 0.503785 0.750809 P\n0.898109 0.135100 0.613741 P\n0.900227 0.841209 0.905042 P\n0.603110 0.365227 0.113783 P\n0.600093 0.656811 0.402807 P\n0.537202 0.997882 0.245807 P\n0.461098 0.003808 0.748651 P\n0.399259 0.343448 0.595624 P\n0.037633 0.497771 0.254730 P\n0.103133 0.864387 0.386795 P\n0.398518 0.634978 0.885200 P\n0.100281 0.156723 0.097165 P\n0.172018 0.440102 0.178237 O\n0.916685 0.149069 0.107087 O\n0.927585 0.405874 0.321381 O\n0.924557 0.836498 0.408025 O\n0.896368 0.423908 0.629323 O\n0.870095 0.012670 0.612768 O\n0.861777 0.173860 0.783940 O\n0.851460 0.800933 0.742674 O\n0.050593 0.432335 0.865939 O\n0.084225 0.851111 0.894763 O\n0.072933 0.593588 0.682682 O\n0.075665 0.163714 0.590003 O\n0.101542 0.577191 0.377997 O\n0.132894 0.985785 0.391367 O\n0.140006 0.825194 0.216836 O\n0.137125 0.249320 0.977942 O\n0.152047 0.193202 0.262203 O\n0.948713 0.568299 0.139766 O\n0.175580 0.057910 0.035372 O\n0.197769 0.803897 0.508661 O\n0.301631 0.693123 0.007253 O\n0.323036 0.444628 0.539233 O\n0.327518 0.061005 0.666673 O\n0.362049 0.672235 0.714595 O\n0.350151 0.302305 0.757059 O\n0.370914 0.512500 0.888351 O\n0.362773 0.253766 0.471952 O\n0.396192 0.924679 0.870990 O\n0.427029 0.906225 0.179157 O\n0.416357 0.648061 0.394102 O\n0.424880 0.336513 0.091803 O\n0.448335 0.068535 0.361829 O\n0.550615 0.932475 0.634478 O\n0.575910 0.663740 0.908833 O\n0.582863 0.352671 0.604823 O\n0.570657 0.095167 0.816272 O\n0.598644 0.078893 0.123439 O\n0.636242 0.749641 0.522364 O\n0.631228 0.486874 0.111205 O\n0.651056 0.693674 0.238162 O\n0.640023 0.325674 0.283423 O\n0.671855 0.940768 0.322088 O\n0.676348 0.558440 0.464960 O\n0.698085 0.306352 0.990941 O\n0.801213 0.192780 0.491746 O\n0.823928 0.941174 0.962914 O\n0.827593 0.560675 0.832278 O\n0.865697 0.750604 0.027414 O\n",
"nsites": 80,
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"elements": [
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],
"chemical_system": "Li-Mn-O-P",
"density": 2.9911666574617466,
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"volume": 922.9066707066655,
"volume_molar": 6.9473423491731365,
"formula_full": "Li12 Mn8 P12 O48",
"formula_reduced": "Li3Mn2(PO4)3",
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"energy": -598.8018337200001,
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"spacegroup": 7
},
{
"id": "mp-676683",
"created_at": "2022-09-04T14:48:24.760139Z",
"structure_string": "Li20 Fe10 Cl40\n1.0\n6.460598 -0.076808 3.628360\n2.081414 5.951998 3.631010\n-0.060628 -0.037594 36.414056\nLi Fe Cl\n20 10 40\ndirect\n0.406977 0.043399 0.208496 Li\n0.512276 0.988325 0.098781 Li\n0.512563 0.488656 0.199976 Li\n0.396182 0.030315 0.412410 Li\n0.014214 0.494302 0.495735 Li\n0.926126 0.856994 0.169295 Li\n0.507390 0.009118 0.298300 Li\n0.501275 0.485173 0.403774 Li\n-0.000626 0.502513 0.696356 Li\n0.928525 0.844534 0.370515 Li\n0.071410 0.164012 0.826521 Li\n0.498116 0.021905 0.496720 Li\n0.982262 0.487428 0.908098 Li\n0.501443 0.002743 0.800039 Li\n0.427279 0.044323 0.601026 Li\n0.924972 0.851485 0.570721 Li\n0.509374 0.004717 0.696967 Li\n0.935496 0.842509 0.771637 Li\n0.484604 0.996802 0.906151 Li\n0.875328 0.865614 0.975599 Li\n0.034986 0.510683 0.095722 Fe\n0.484821 0.501273 0.094706 Fe\n0.004989 0.496181 0.300395 Fe\n0.504773 0.489981 0.297939 Fe\n0.510467 0.487646 0.496787 Fe\n0.508462 0.494742 0.606308 Fe\n0.511505 0.495175 0.692117 Fe\n0.498480 0.501799 0.800606 Fe\n0.483849 0.493718 0.903577 Fe\n0.469349 0.509049 0.011026 Fe\n0.249639 0.274831 0.051827 Cl\n0.243960 0.767016 0.049936 Cl\n0.256804 0.260976 0.146110 Cl\n0.721336 0.267517 0.051027 Cl\n0.243444 0.269547 0.252887 Cl\n0.301612 0.724511 0.144189 Cl\n0.739584 0.252052 0.148511 Cl\n0.758984 0.720418 0.054891 Cl\n0.258265 0.259754 0.347086 Cl\n0.255527 0.736157 0.251934 Cl\n0.718005 0.271313 0.253242 Cl\n0.767072 0.732029 0.146161 Cl\n0.256813 0.259157 0.451444 Cl\n0.306959 0.724058 0.344803 Cl\n0.757168 0.259569 0.346413 Cl\n0.256948 0.270155 0.546211 Cl\n0.746890 0.742720 0.250969 Cl\n0.260809 0.731716 0.452669 Cl\n0.768462 0.729907 0.345659 Cl\n0.731093 0.261653 0.454105 Cl\n0.270825 0.261772 0.650187 Cl\n0.302625 0.719550 0.549023 Cl\n0.728626 0.258956 0.552894 Cl\n0.269573 0.253958 0.747218 Cl\n0.728821 0.750911 0.451043 Cl\n0.255712 0.739747 0.651346 Cl\n0.719671 0.748157 0.555068 Cl\n0.740871 0.250242 0.651486 Cl\n0.262020 0.260336 0.846999 Cl\n0.307368 0.722594 0.745298 Cl\n0.257538 0.755161 0.847299 Cl\n0.741908 0.251659 0.750699 Cl\n0.739011 0.739098 0.651940 Cl\n0.255761 0.274519 0.944313 Cl\n0.703918 0.266062 0.852696 Cl\n0.739864 0.740076 0.751926 Cl\n0.272926 0.733486 0.950726 Cl\n0.726232 0.272221 0.949732 Cl\n0.725098 0.745963 0.851385 Cl\n0.725387 0.735364 0.952346 Cl\n",
"nsites": 70,
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],
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"volume": 1407.992380335618,
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"formula_full": "Li20 Fe10 Cl40",
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"spacegroup": 1
},
{
"id": "mp-763318",
"created_at": "2022-09-04T14:48:24.788043Z",
"structure_string": "Li1 Co2 B2 O6\n1.0\n5.119947 0.000000 0.000000\n2.542590 4.533132 0.000000\n2.414062 1.326858 5.098893\nLi Co B O\n1 2 2 6\ndirect\n0.392777 0.064114 0.321990 Li\n0.239353 0.606736 0.750112 Co\n0.756339 0.404794 0.234321 Co\n0.904143 0.260192 0.751198 B\n0.081095 0.741216 0.259715 B\n0.644222 0.311805 0.696498 O\n0.916408 0.471644 0.830160 O\n0.168430 0.001399 0.706908 O\n0.811234 0.990178 0.272913 O\n0.125247 0.500852 0.174248 O\n0.326364 0.710342 0.333394 O\n",
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],
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"formula_full": "Li1 Co2 B2 O6",
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{
"id": "mp-1041859",
"created_at": "2022-09-04T14:48:24.797936Z",
"structure_string": "Al2 Fe6 F30\n1.0\n10.973228 0.000000 0.000000\n0.000000 5.950124 0.000000\n0.000000 2.425639 8.933151\nAl Fe F\n2 6 30\ndirect\n0.750000 0.438295 0.758759 Al\n0.250000 0.561705 0.241241 Al\n0.500000 0.000000 0.500000 Fe\n0.497930 0.013290 0.165021 Fe\n0.502070 0.986710 0.834979 Fe\n0.000000 0.000000 0.500000 Fe\n0.002070 0.013290 0.165021 Fe\n0.997930 0.986710 0.834979 Fe\n0.750000 0.579538 0.575775 F\n0.750000 0.639219 0.222037 F\n0.750000 0.596432 0.884426 F\n0.250000 0.420462 0.424225 F\n0.250000 0.403568 0.115574 F\n0.250000 0.360781 0.777963 F\n0.413665 0.128516 0.646546 F\n0.401665 0.121543 0.317682 F\n0.409460 0.126358 0.972922 F\n0.586335 0.871484 0.353454 F\n0.590540 0.873642 0.027078 F\n0.598335 0.878457 0.682318 F\n0.089913 0.747383 0.547138 F\n0.121998 0.744172 0.209239 F\n0.090092 0.728248 0.876980 F\n0.910087 0.252617 0.452862 F\n0.909908 0.271752 0.123020 F\n0.878002 0.255828 0.790761 F\n0.589913 0.252617 0.452862 F\n0.590092 0.271752 0.123020 F\n0.621998 0.255828 0.790761 F\n0.410087 0.747383 0.547138 F\n0.378002 0.744172 0.209239 F\n0.409908 0.728248 0.876980 F\n0.086335 0.128516 0.646546 F\n0.098335 0.121543 0.317682 F\n0.090540 0.126358 0.972922 F\n0.913665 0.871484 0.353454 F\n0.909460 0.873642 0.027078 F\n0.901665 0.878457 0.682318 F\n",
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],
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"volume": 583.2638961168292,
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"formula_full": "Al2 Fe6 F30",
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"updated_at": "2021-11-28T01:39:25.584000Z",
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}
]
}