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{
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{
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"structure_string": "Ti4 Zn4 Ni4 P8 O36\n1.0\n6.272034 0.000000 0.000000\n0.000000 7.343253 0.000000\n0.000000 0.000000 14.359966\nTi Zn Ni P O\n4 4 4 8 36\ndirect\n0.750000 0.347622 0.885123 Ti\n0.250000 0.652378 0.114877 Ti\n0.250000 0.847622 0.614877 Ti\n0.750000 0.152378 0.385123 Ti\n0.750000 0.884006 0.783297 Zn\n0.750000 0.615994 0.283297 Zn\n0.250000 0.115994 0.216703 Zn\n0.250000 0.384006 0.716703 Zn\n0.500000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.000000 0.500000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.250000 0.356243 0.930438 P\n0.750000 0.643757 0.069562 P\n0.750000 0.856243 0.569562 P\n0.250000 0.143757 0.430438 P\n0.750000 0.390033 0.698528 P\n0.250000 0.609967 0.301472 P\n0.250000 0.890033 0.801472 P\n0.750000 0.109967 0.198528 P\n0.038099 0.610767 0.359548 O\n0.538099 0.389233 0.640452 O\n0.961901 0.110767 0.140452 O\n0.461901 0.889233 0.859548 O\n0.961901 0.389233 0.640452 O\n0.461901 0.610767 0.359548 O\n0.038099 0.889233 0.859548 O\n0.538099 0.110767 0.140452 O\n0.250000 0.332976 0.475419 O\n0.750000 0.667024 0.524581 O\n0.750000 0.832976 0.024581 O\n0.250000 0.167024 0.975419 O\n0.750000 0.143552 0.947503 O\n0.250000 0.856448 0.052497 O\n0.250000 0.643552 0.552497 O\n0.750000 0.356448 0.447503 O\n0.750000 0.213701 0.761552 O\n0.250000 0.786299 0.238448 O\n0.250000 0.713701 0.738448 O\n0.750000 0.286299 0.261552 O\n0.440256 0.121078 0.362608 O\n0.940256 0.878922 0.637392 O\n0.559744 0.621078 0.137392 O\n0.059744 0.378922 0.862608 O\n0.559744 0.878922 0.637392 O\n0.059744 0.121078 0.362608 O\n0.440256 0.378922 0.862608 O\n0.940256 0.621078 0.137392 O\n0.750000 0.949924 0.269614 O\n0.250000 0.050076 0.730386 O\n0.250000 0.449924 0.230386 O\n0.750000 0.550076 0.769614 O\n0.750000 0.999690 0.493090 O\n0.250000 0.000310 0.506910 O\n0.250000 0.499690 0.006910 O\n0.750000 0.500310 0.993090 O\n",
"nsites": 56,
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"elements": [
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],
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"formula_full": "Ti4 Zn4 Ni4 P8 O36",
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"spacegroup": 62
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{
"id": "mp-781009",
"created_at": "2022-09-04T14:48:13.692097Z",
"structure_string": "Li12 Cr4 P8 O32\n1.0\n8.686576 0.000000 0.000000\n3.401634 8.039211 0.000000\n0.360595 0.290106 9.107169\nLi Cr P O\n12 4 8 32\ndirect\n0.134422 0.359058 0.206663 Li\n0.375324 0.130004 0.700886 Li\n0.844942 0.040677 0.550335 Li\n0.416377 0.567342 0.241646 Li\n0.894591 0.084595 0.236464 Li\n0.564611 0.435826 0.749328 Li\n0.109810 0.894106 0.770227 Li\n0.157059 0.966778 0.456708 Li\n0.963074 0.147152 0.963598 Li\n0.603469 0.871215 0.325938 Li\n0.863179 0.622472 0.776268 Li\n0.897242 0.733718 0.100903 Li\n0.513657 0.230708 0.087952 Cr\n0.233027 0.509856 0.588508 Cr\n0.769096 0.491846 0.407666 Cr\n0.489342 0.769213 0.911834 Cr\n0.287415 0.013564 0.074913 P\n0.014564 0.289739 0.571491 P\n0.571466 0.240988 0.430065 P\n0.237893 0.572547 0.928655 P\n0.759616 0.432466 0.071087 P\n0.431185 0.763121 0.570448 P\n0.990773 0.714946 0.422225 P\n0.715733 0.989864 0.918001 P\n0.112483 0.030862 0.126475 O\n0.021893 0.115000 0.614951 O\n0.324236 0.159087 0.135739 O\n0.164806 0.315080 0.634846 O\n0.628168 0.052948 0.448350 O\n0.048889 0.625765 0.940815 O\n0.707681 0.983192 0.092801 O\n0.985567 0.681326 0.592570 O\n0.160722 0.575619 0.373088 O\n0.562532 0.153529 0.877924 O\n0.334744 0.465445 0.062792 O\n0.465554 0.336275 0.563245 O\n0.472953 0.316694 0.289952 O\n0.316043 0.469478 0.791194 O\n0.736354 0.273648 0.424083 O\n0.274743 0.733218 0.916723 O\n0.735138 0.263656 0.075374 O\n0.268258 0.727063 0.577738 O\n0.674820 0.530876 0.208569 O\n0.533270 0.686871 0.708491 O\n0.540624 0.673736 0.436351 O\n0.662944 0.534950 0.936140 O\n0.430033 0.844341 0.123646 O\n0.846065 0.432421 0.621341 O\n0.011750 0.320208 0.399331 O\n0.309420 0.010669 0.901714 O\n0.946653 0.387638 0.060874 O\n0.372354 0.951145 0.550715 O\n0.845891 0.688990 0.343719 O\n0.690591 0.834176 0.867019 O\n0.981363 0.892122 0.386441 O\n0.879770 0.994795 0.856409 O\n",
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"elements": [
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],
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"density_atomic": 0.08805268025097322,
"volume": 635.9829120520275,
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"formula_full": "Li12 Cr4 P8 O32",
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{
"id": "mp-1189700",
"created_at": "2022-09-04T14:48:13.698367Z",
"structure_string": "Pr4 Mg7 Ge6\n1.0\n2.226954 8.379770 0.000000\n-2.226954 8.379770 0.000000\n0.000000 6.767829 10.647340\nPr Mg Ge\n4 7 6\ndirect\n0.266373 0.266373 0.613195 Pr\n0.733627 0.733627 0.386805 Pr\n0.370294 0.370294 0.839615 Pr\n0.629706 0.629706 0.160385 Pr\n0.039540 0.039540 0.861447 Mg\n0.960460 0.960460 0.138553 Mg\n0.061884 0.061884 0.603951 Mg\n0.938116 0.938116 0.396049 Mg\n0.689582 0.689582 0.846172 Mg\n0.310418 0.310418 0.153828 Mg\n0.500000 0.500000 0.500000 Mg\n0.120096 0.120096 0.348730 Ge\n0.879904 0.879904 0.651270 Ge\n0.149461 0.149461 0.975449 Ge\n0.850539 0.850539 0.024551 Ge\n0.608580 0.608580 0.688785 Ge\n0.391420 0.391420 0.311215 Ge\n",
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"elements": [
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"density": 4.887357109445009,
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"volume": 397.3877389808086,
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{
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"created_at": "2022-09-04T14:48:13.705165Z",
"structure_string": "K8 Mg4 V8 O28\n1.0\n8.526081 0.000000 0.000000\n0.000000 8.526081 0.000000\n0.000000 0.000000 11.606977\nK Mg V O\n8 4 8 28\ndirect\n0.818452 0.818452 0.000000 K\n0.681548 0.318452 0.500000 K\n0.318452 0.681548 0.500000 K\n0.181548 0.181548 0.000000 K\n0.648130 0.351870 0.000000 K\n0.148130 0.148130 0.500000 K\n0.851870 0.851870 0.500000 K\n0.351870 0.648130 0.000000 K\n0.000000 0.500000 0.750000 Mg\n0.000000 0.500000 0.250000 Mg\n0.500000 0.000000 0.750000 Mg\n0.500000 0.000000 0.250000 Mg\n0.641936 0.641936 0.712907 V\n0.358064 0.358064 0.712907 V\n0.641936 0.641936 0.287093 V\n0.141936 0.858064 0.212907 V\n0.858064 0.141936 0.212907 V\n0.858064 0.141936 0.787093 V\n0.141936 0.858064 0.787093 V\n0.358064 0.358064 0.287093 V\n0.641126 0.641126 0.857805 O\n0.358874 0.358874 0.857805 O\n0.641126 0.641126 0.142195 O\n0.141126 0.858874 0.357805 O\n0.858874 0.141126 0.357805 O\n0.858874 0.141126 0.642195 O\n0.141126 0.858874 0.642195 O\n0.358874 0.358874 0.142195 O\n0.411023 0.175599 0.341347 O\n0.588977 0.824401 0.341347 O\n0.175599 0.411023 0.658653 O\n0.675599 0.088977 0.841347 O\n0.324401 0.911023 0.841347 O\n0.088977 0.675599 0.158653 O\n0.911023 0.324401 0.158653 O\n0.824401 0.588977 0.658653 O\n0.588977 0.824401 0.658653 O\n0.411023 0.175599 0.658653 O\n0.824401 0.588977 0.341347 O\n0.324401 0.911023 0.158653 O\n0.000000 0.000000 0.155817 O\n0.500000 0.500000 0.655817 O\n0.500000 0.500000 0.344183 O\n0.000000 0.000000 0.844183 O\n0.175599 0.411023 0.341347 O\n0.088977 0.675599 0.841347 O\n0.911023 0.324401 0.841347 O\n0.675599 0.088977 0.158653 O\n",
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{
"id": "mp-1191408",
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"structure_string": "Ho4 C4 O16\n1.0\n4.847003 0.000000 0.000000\n0.000000 7.108594 0.000000\n0.000000 0.000000 8.857469\nHo C O\n4 4 16\ndirect\n0.528093 0.625070 0.661252 Ho\n0.971907 0.374930 0.161252 Ho\n0.471907 0.125070 0.838748 Ho\n0.028093 0.874930 0.338748 Ho\n0.509324 0.546404 0.329611 C\n0.990676 0.453596 0.829611 C\n0.490676 0.046404 0.170389 C\n0.009324 0.953596 0.670389 C\n0.467724 0.812492 0.855721 O\n0.032276 0.187508 0.355721 O\n0.532276 0.312492 0.644279 O\n0.967724 0.687508 0.144279 O\n0.044339 0.552804 0.713275 O\n0.455661 0.447196 0.213275 O\n0.955661 0.052804 0.786725 O\n0.544339 0.947196 0.286725 O\n0.268895 0.927133 0.632699 O\n0.231105 0.072867 0.132699 O\n0.731105 0.427133 0.867301 O\n0.768895 0.572867 0.367301 O\n0.823004 0.881523 0.582480 O\n0.676996 0.118477 0.082480 O\n0.176996 0.381523 0.917520 O\n0.323004 0.618477 0.417520 O\n",
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{
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