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{
"id": "mp-755152",
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"structure_string": "Ti1 Mn1 V4 O12\n1.0\n4.666091 5.158081 0.000000\n-4.666091 5.158081 0.000000\n0.000000 2.040768 5.437584\nTi Mn V O\n1 1 4 12\ndirect\n0.096106 0.903894 0.500000 Ti\n0.908041 0.091959 0.000000 Mn\n0.793451 0.616204 0.997490 V\n0.609795 0.806652 0.504665 V\n0.383796 0.206549 0.002510 V\n0.193348 0.390205 0.495335 V\n0.964269 0.812427 0.859164 O\n0.918819 0.392537 0.015216 O\n0.822130 0.957374 0.398163 O\n0.628697 0.639933 0.806321 O\n0.607463 0.081181 0.984784 O\n0.664979 0.637646 0.294231 O\n0.360067 0.371303 0.193679 O\n0.356865 0.900379 0.534931 O\n0.362354 0.335021 0.705769 O\n0.187573 0.035731 0.140836 O\n0.099621 0.643135 0.465069 O\n0.042626 0.177870 0.601837 O\n",
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{
"id": "mp-1041397",
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"nsites": 28,
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"volume": 355.20548420917413,
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"formula_full": "Ca2 Co8 O18",
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},
{
"id": "mp-1028193",
"created_at": "2022-09-04T14:40:17.111876Z",
"structure_string": "Ca1 Mg14 Fe1\n1.0\n6.394013 -0.000000 -0.000000\n-3.197006 5.537377 -0.000000\n0.000000 0.000000 10.096616\nCa Mg Fe\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Ca\n0.176787 0.838393 0.125000 Mg\n0.160068 0.830034 0.625000 Mg\n0.661607 0.323213 0.125000 Mg\n0.669966 0.339932 0.625000 Mg\n0.661607 0.838393 0.125000 Mg\n0.669966 0.830034 0.625000 Mg\n0.328376 0.171624 0.395641 Mg\n0.328376 0.171624 0.854359 Mg\n0.328376 0.656753 0.395641 Mg\n0.328376 0.656753 0.854359 Mg\n0.843247 0.171624 0.395641 Mg\n0.843247 0.171624 0.854359 Mg\n0.833333 0.666667 0.365897 Mg\n0.833333 0.666667 0.884103 Mg\n0.166667 0.333333 0.625000 Fe\n",
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"elements": [
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"density": 2.0261628235370868,
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"volume": 357.4813971825872,
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"formula_full": "Ca1 Mg14 Fe1",
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},
{
"id": "mp-1095942",
"created_at": "2022-09-04T14:40:17.124441Z",
"structure_string": "Sr2 Mg1 Tl1\n1.0\n-6.910624 6.935824 9.719393\n6.910624 -6.935824 9.719393\n6.910624 6.935824 -9.719393\nSr Mg Tl\n2 1 1\ndirect\n0.000000 0.268139 0.268139 Sr\n0.000000 0.731861 0.731861 Sr\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 Tl\n",
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"elements": [
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{
"id": "mp-582274",
"created_at": "2022-09-04T14:40:17.125617Z",
"structure_string": "Ce4 Ni40 P16\n1.0\n3.639598 0.000000 0.000000\n0.000000 9.217396 0.000000\n0.000000 0.000000 21.956314\nCe Ni P\n4 40 16\ndirect\n0.750000 0.798790 0.892433 Ce\n0.250000 0.201210 0.107567 Ce\n0.750000 0.298790 0.607567 Ce\n0.250000 0.701210 0.392433 Ce\n0.250000 0.083260 0.531491 Ni\n0.250000 0.049805 0.417421 Ni\n0.750000 0.173022 0.902739 Ni\n0.750000 0.205577 0.329233 Ni\n0.250000 0.294423 0.829233 Ni\n0.750000 0.598360 0.702543 Ni\n0.250000 0.583260 0.968509 Ni\n0.250000 0.923128 0.778781 Ni\n0.250000 0.794423 0.670767 Ni\n0.250000 0.660179 0.784389 Ni\n0.250000 0.326978 0.402739 Ni\n0.750000 0.950195 0.582579 Ni\n0.750000 0.964223 0.038073 Ni\n0.250000 0.401640 0.297457 Ni\n0.750000 0.576872 0.278781 Ni\n0.750000 0.705577 0.170767 Ni\n0.750000 0.098360 0.797457 Ni\n0.250000 0.901640 0.202543 Ni\n0.250000 0.019129 0.306354 Ni\n0.750000 0.192301 0.468060 Ni\n0.250000 0.307699 0.968060 Ni\n0.750000 0.416740 0.031491 Ni\n0.750000 0.673022 0.597261 Ni\n0.250000 0.535777 0.538073 Ni\n0.250000 0.160179 0.715611 Ni\n0.750000 0.692301 0.031940 Ni\n0.250000 0.423128 0.721219 Ni\n0.750000 0.450195 0.917421 Ni\n0.750000 0.480871 0.806354 Ni\n0.250000 0.807699 0.531940 Ni\n0.750000 0.464223 0.461927 Ni\n0.250000 0.826978 0.097261 Ni\n0.250000 0.035777 0.961927 Ni\n0.750000 0.076872 0.221219 Ni\n0.750000 0.839821 0.284389 Ni\n0.750000 0.339821 0.215611 Ni\n0.250000 0.549805 0.082579 Ni\n0.750000 0.916740 0.468509 Ni\n0.750000 0.980871 0.693646 Ni\n0.250000 0.519129 0.193646 Ni\n0.250000 0.061958 0.860861 P\n0.250000 0.204892 0.243209 P\n0.750000 0.438042 0.360861 P\n0.750000 0.974834 0.368495 P\n0.250000 0.314531 0.501014 P\n0.750000 0.685469 0.498986 P\n0.750000 0.295108 0.743209 P\n0.250000 0.525166 0.868495 P\n0.250000 0.561958 0.639139 P\n0.750000 0.795108 0.756791 P\n0.750000 0.938042 0.139139 P\n0.750000 0.185469 0.001014 P\n0.250000 0.814531 0.998986 P\n0.250000 0.704892 0.256791 P\n0.250000 0.025166 0.631505 P\n0.750000 0.474834 0.131505 P\n",
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"density_atomic": 0.08145732676311414,
"volume": 736.5819918751552,
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"formula_full": "Ce4 Ni40 P16",
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"formula_anonymous": "AB4C10",
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{
"id": "mp-1217928",
"created_at": "2022-09-04T14:40:17.126319Z",
"structure_string": "Ta1 Nb1 Cu6 Se8\n1.0\n0.000000 5.691943 5.691943\n5.691943 0.000000 5.691943\n5.691943 5.691943 0.000000\nTa Nb Cu Se\n1 1 6 8\ndirect\n0.500000 0.500000 0.500000 Ta\n0.000000 0.000000 0.000000 Nb\n0.750067 0.249933 0.249933 Cu\n0.249933 0.750067 0.750067 Cu\n0.750067 0.249933 0.750067 Cu\n0.249933 0.750067 0.249933 Cu\n0.249933 0.249933 0.750067 Cu\n0.750067 0.750067 0.249933 Cu\n0.874753 0.874753 0.375742 Se\n0.374943 0.374943 0.875172 Se\n0.874753 0.874753 0.874753 Se\n0.374943 0.374943 0.374943 Se\n0.375742 0.874753 0.874753 Se\n0.875172 0.374943 0.374943 Se\n0.874753 0.375742 0.874753 Se\n0.374943 0.875172 0.374943 Se\n",
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"elements": [
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],
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"density": 5.793646454492392,
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"volume": 368.8175874754715,
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"formula_full": "Ta1 Nb1 Cu6 Se8",
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{
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"created_at": "2022-09-04T14:40:17.129593Z",
"structure_string": "K3 Na5 V3 Mo5 O24\n1.0\n7.849968 0.000000 0.000000\n0.003036 7.855887 0.000000\n0.011297 0.016828 7.894671\nK Na V Mo O\n3 5 3 5 24\ndirect\n0.745713 0.745072 0.260824 K\n0.254340 0.745386 0.740009 K\n0.254642 0.745050 0.261184 K\n0.741991 0.741962 0.730142 Na\n0.742029 0.257684 0.730079 Na\n0.741979 0.257414 0.270263 Na\n0.258107 0.257577 0.729729 Na\n0.258073 0.257532 0.270460 Na\n0.999626 0.495352 0.501794 V\n0.501407 0.000320 0.501518 V\n0.501854 0.492217 0.501177 V\n0.999418 0.001845 0.000670 Mo\n0.999100 0.497505 0.999313 Mo\n0.999011 0.002557 0.502520 Mo\n0.500864 0.003525 0.999175 Mo\n0.500652 0.498834 0.998982 Mo\n0.748465 0.002691 0.998764 O\n0.749479 0.496261 0.998551 O\n0.756239 0.007298 0.502682 O\n0.760426 0.495182 0.503995 O\n0.252182 0.003652 0.998578 O\n0.251005 0.495404 0.998249 O\n0.242546 0.007898 0.500669 O\n0.238147 0.492026 0.500980 O\n0.998270 0.004104 0.755936 O\n0.997877 0.495208 0.758345 O\n0.999017 0.004813 0.244249 O\n0.998996 0.492618 0.240689 O\n0.502974 0.004831 0.758409 O\n0.503403 0.494431 0.758767 O\n0.500739 0.005794 0.240694 O\n0.500826 0.491139 0.240046 O\n0.998227 0.747100 0.998431 O\n0.999358 0.250983 0.998288 O\n0.996801 0.759079 0.503800 O\n0.997966 0.245013 0.500790 O\n0.502124 0.748219 0.998148 O\n0.501053 0.250095 0.997790 O\n0.504194 0.765131 0.504570 O\n0.500880 0.241197 0.500742 O\n",
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"volume": 486.8522151051045,
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"formula_full": "K3 Na5 V3 Mo5 O24",
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{
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"created_at": "2022-09-04T14:40:17.133478Z",
"structure_string": "Zn6 Si8 Bi4 O28\n1.0\n4.240910 8.496816 0.000000\n-4.240910 8.496816 0.000000\n0.000000 5.944157 8.719484\nZn Si Bi O\n6 8 4 28\ndirect\n0.072082 0.295002 0.068705 Zn\n0.704998 0.927918 0.431295 Zn\n0.295002 0.072082 0.568705 Zn\n0.385356 0.614644 0.750000 Zn\n0.927918 0.704998 0.931295 Zn\n0.614644 0.385356 0.250000 Zn\n0.511053 0.096195 0.713445 Si\n0.096195 0.511053 0.213445 Si\n0.496432 0.262885 0.111870 Si\n0.262885 0.496432 0.611870 Si\n0.903805 0.488947 0.786555 Si\n0.503568 0.737115 0.888130 Si\n0.737115 0.503568 0.388130 Si\n0.488947 0.903805 0.286555 Si\n0.768013 0.231987 0.750000 Bi\n0.231987 0.768013 0.250000 Bi\n0.000000 0.000000 0.000000 Bi\n0.000000 0.000000 0.500000 Bi\n0.795634 0.333822 0.332538 O\n0.936518 0.881900 0.404964 O\n0.502110 0.611367 0.066506 O\n0.881900 0.936518 0.904964 O\n0.288008 0.927264 0.324800 O\n0.066405 0.519678 0.630293 O\n0.611367 0.502110 0.566506 O\n0.072736 0.711992 0.175200 O\n0.933595 0.480322 0.369707 O\n0.646759 0.699722 0.257881 O\n0.063482 0.118100 0.595036 O\n0.711992 0.072736 0.675200 O\n0.480322 0.933595 0.869707 O\n0.333822 0.795634 0.832538 O\n0.699722 0.646759 0.757881 O\n0.927264 0.288008 0.824800 O\n0.913585 0.510078 0.927603 O\n0.353241 0.300278 0.742119 O\n0.489922 0.086415 0.572397 O\n0.300278 0.353241 0.242119 O\n0.519678 0.066405 0.130293 O\n0.118100 0.063482 0.095036 O\n0.510078 0.913585 0.427603 O\n0.497890 0.388633 0.933494 O\n0.086415 0.489922 0.072397 O\n0.388633 0.497890 0.433494 O\n0.666178 0.204366 0.167462 O\n0.204366 0.666178 0.667462 O\n",
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{
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