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{
"id": "mp-669495",
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"structure_string": "Nd14 Cl32 O1\n1.0\n10.858509 -5.931478 0.000000\n10.858509 5.931478 0.000000\n7.618429 0.000000 9.749317\nNd Cl O\n14 32 1\ndirect\n0.334549 0.545768 0.811732 Nd\n0.811732 0.334549 0.545768 Nd\n0.545768 0.811732 0.334549 Nd\n0.665451 0.454232 0.188268 Nd\n0.188268 0.665451 0.454232 Nd\n0.454232 0.188268 0.665451 Nd\n0.735824 0.735824 0.735824 Nd\n0.264176 0.264176 0.264176 Nd\n0.881476 0.015913 0.232316 Nd\n0.232316 0.881476 0.015913 Nd\n0.015913 0.232316 0.881476 Nd\n0.118524 0.984087 0.767684 Nd\n0.767684 0.118524 0.984087 Nd\n0.984087 0.767684 0.118524 Nd\n0.236456 0.466334 0.710333 Cl\n0.710333 0.236456 0.466334 Cl\n0.466334 0.710333 0.236456 Cl\n0.763544 0.533666 0.289667 Cl\n0.289667 0.763544 0.533666 Cl\n0.533666 0.289667 0.763544 Cl\n0.937029 0.851129 0.578851 Cl\n0.578851 0.937029 0.851129 Cl\n0.851129 0.578851 0.937029 Cl\n0.062971 0.148871 0.421149 Cl\n0.421149 0.062971 0.148871 Cl\n0.148871 0.421149 0.062971 Cl\n0.392971 0.015416 0.446609 Cl\n0.446609 0.392971 0.015416 Cl\n0.015416 0.446609 0.392971 Cl\n0.607029 0.984584 0.553391 Cl\n0.553391 0.607029 0.984584 Cl\n0.984584 0.553391 0.607029 Cl\n0.375134 0.781710 0.786535 Cl\n0.786535 0.375134 0.781710 Cl\n0.781710 0.786535 0.375134 Cl\n0.624866 0.218290 0.213465 Cl\n0.213465 0.624866 0.218290 Cl\n0.218290 0.213465 0.624866 Cl\n0.072130 0.742708 0.865105 Cl\n0.865105 0.072130 0.742708 Cl\n0.742708 0.865105 0.072130 Cl\n0.927870 0.257292 0.134895 Cl\n0.134895 0.927870 0.257292 Cl\n0.257292 0.134895 0.927870 Cl\n0.588858 0.588858 0.588858 Cl\n0.411142 0.411142 0.411142 Cl\n0.000000 0.000000 0.000000 O\n",
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"formula_full": "Nd14 Cl32 O1",
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},
{
"id": "mp-1210006",
"created_at": "2022-09-04T14:48:27.276193Z",
"structure_string": "Na2 Li2 Tm4 F16\n1.0\n4.133651 -5.213617 0.000000\n4.133651 5.213617 0.000000\n0.000000 0.000000 7.009049\nNa Li Tm F\n2 2 4 16\ndirect\n0.655918 0.655918 0.250000 Na\n0.344082 0.344082 0.750000 Na\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.075407 0.450146 0.250000 Tm\n0.924593 0.549854 0.750000 Tm\n0.450146 0.075407 0.250000 Tm\n0.549854 0.924593 0.750000 Tm\n0.087744 0.087744 0.250000 F\n0.912256 0.912256 0.750000 F\n0.934668 0.657594 0.050176 F\n0.065332 0.342406 0.949824 F\n0.657594 0.934668 0.449824 F\n0.342406 0.065332 0.550176 F\n0.388184 0.388184 0.250000 F\n0.611816 0.611816 0.750000 F\n0.746044 0.304538 0.250000 F\n0.253956 0.695462 0.750000 F\n0.304538 0.746044 0.250000 F\n0.695462 0.253956 0.750000 F\n0.065332 0.342406 0.550176 F\n0.934668 0.657594 0.449824 F\n0.342406 0.065332 0.949824 F\n0.657594 0.934668 0.050176 F\n",
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"volume": 302.10785870036636,
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"formula_full": "Na2 Li2 Tm4 F16",
"formula_reduced": "NaLiTm2F8",
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"updated_at": "2021-11-28T01:39:48.954000Z",
"spacegroup": 63
},
{
"id": "mp-861486",
"created_at": "2022-09-04T14:48:27.273366Z",
"structure_string": "Li12 V2 O6 F6\n1.0\n5.218660 0.000000 0.000000\n-1.897588 -6.373104 0.000000\n-0.203018 0.041792 -7.872807\nLi V O F\n12 2 6 6\ndirect\n0.884450 0.086538 0.340789 Li\n0.751027 0.663886 0.222562 Li\n0.714222 0.173328 0.757431 Li\n0.072165 0.454784 0.139619 Li\n0.395398 0.802934 0.910970 Li\n0.443132 0.323481 0.413103 Li\n0.566060 0.677979 0.606812 Li\n0.610742 0.195903 0.105988 Li\n0.931936 0.543966 0.852894 Li\n0.279566 0.348781 0.762559 Li\n0.314771 0.833275 0.232604 Li\n0.101369 0.908897 0.656276 Li\n0.968615 0.493836 0.510387 V\n0.977779 0.994209 0.010119 V\n0.784207 0.367821 0.297862 O\n0.967243 0.276464 0.942321 O\n0.653953 0.416160 0.645497 O\n0.660633 0.920285 0.139313 O\n0.061471 0.726651 0.050463 O\n0.219281 0.646674 0.690706 O\n0.896772 0.787065 0.448921 F\n0.233349 0.117785 0.228026 F\n0.344304 0.076067 0.850855 F\n0.331871 0.573558 0.346872 F\n0.763940 0.882501 0.779242 F\n0.071741 0.207174 0.557812 F\n",
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"formula_full": "Li12 V2 O6 F6",
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"spacegroup": 1
},
{
"id": "mp-776458",
"created_at": "2022-09-04T14:48:27.270737Z",
"structure_string": "Li4 Mn3 Fe2 Sn3 O16\n1.0\n6.063674 0.003025 0.038637\n-3.029430 5.241001 0.022358\n0.060794 0.075767 9.715780\nLi Mn Fe Sn O\n4 3 2 3 16\ndirect\n0.345240 0.673016 0.884694 Li\n0.967576 0.982978 0.993155 Li\n0.977777 0.988602 0.502392 Li\n0.675245 0.338649 0.394596 Li\n0.662467 0.831796 0.218245 Mn\n0.830036 0.660869 0.715269 Mn\n0.831079 0.170726 0.715050 Mn\n0.338171 0.668907 0.499266 Fe\n0.682842 0.343975 0.988708 Fe\n0.172164 0.833255 0.213947 Sn\n0.171553 0.338884 0.213058 Sn\n0.338639 0.168994 0.714511 Sn\n0.148187 0.828359 0.601553 O\n0.035293 0.516376 0.343680 O\n0.345843 0.674366 0.095624 O\n0.992441 0.995539 0.318355 O\n0.977168 0.988040 0.808579 O\n0.148421 0.320419 0.601768 O\n0.494781 0.965440 0.337808 O\n0.495224 0.529888 0.336674 O\n0.319054 0.159580 0.088698 O\n0.672225 0.834087 0.610033 O\n0.534908 0.495118 0.834554 O\n0.536647 0.039747 0.834867 O\n0.689869 0.346137 0.607289 O\n0.828273 0.674249 0.103315 O\n0.960781 0.480283 0.829180 O\n0.828097 0.152023 0.102973 O\n",
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"elements": [
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"formula_full": "Li4 Mn3 Fe2 Sn3 O16",
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},
{
"id": "mp-765498",
"created_at": "2022-09-04T14:48:27.270309Z",
"structure_string": "Li4 V4 O4 F12\n1.0\n0.000150 0.001312 5.176179\n7.136640 -0.001629 0.000207\n-0.001861 8.165281 0.002054\nLi V O F\n4 4 4 12\ndirect\n0.452936 0.173719 0.137755 Li\n0.453082 0.326251 0.637656 Li\n0.547180 0.673678 0.138030 Li\n0.547067 0.826320 0.637958 Li\n0.043092 0.494087 0.957476 V\n0.043236 0.005941 0.457292 V\n0.957086 0.994085 0.957803 V\n0.956958 0.505951 0.457604 V\n0.154221 0.041845 0.270564 O\n0.154109 0.458121 0.770798 O\n0.845339 0.542003 0.271172 O\n0.845436 0.958017 0.771324 O\n0.316669 0.065171 0.607184 F\n0.316736 0.434803 0.107220 F\n0.683152 0.565113 0.607538 F\n0.683047 0.934935 0.107550 F\n0.288719 0.099669 0.939567 F\n0.288657 0.400336 0.439485 F\n0.711411 0.599590 0.939878 F\n0.711499 0.900363 0.439781 F\n0.849185 0.243836 0.506585 F\n0.849164 0.256150 0.006622 F\n0.150997 0.744003 0.506558 F\n0.151024 0.756010 0.006591 F\n",
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{
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"structure_string": "Zn2 In2 H28 O14 F10\n1.0\n6.676177 0.000000 0.000000\n-1.008613 9.050603 0.000000\n-1.267833 -2.190618 8.781798\nZn In H O F\n2 2 28 14 10\ndirect\n0.500000 0.500000 0.000000 Zn\n0.500000 0.000000 0.500000 Zn\n0.000000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.560720 0.544568 0.312788 H\n0.439280 0.455432 0.687212 H\n0.322153 0.527162 0.250116 H\n0.677847 0.472838 0.749884 H\n0.240575 0.062169 0.695659 H\n0.759425 0.937831 0.304341 H\n0.449374 0.168894 0.772580 H\n0.550626 0.831106 0.227420 H\n0.465561 0.203420 0.019328 H\n0.534439 0.796580 0.980672 H\n0.694083 0.250323 0.990324 H\n0.305917 0.749677 0.009676 H\n0.895611 0.563481 0.162158 H\n0.104389 0.436519 0.837842 H\n0.105530 0.348955 0.969026 H\n0.894470 0.651045 0.030974 H\n0.882846 0.067620 0.665230 H\n0.117154 0.932380 0.334770 H\n0.172736 0.770711 0.360686 H\n0.827264 0.229289 0.639314 H\n0.607784 0.857890 0.730403 H\n0.392216 0.142110 0.269597 H\n0.618506 0.741399 0.570564 H\n0.381494 0.258601 0.429436 H\n0.104130 0.790769 0.705595 H\n0.895870 0.209231 0.294405 H\n0.307505 0.739141 0.647225 H\n0.692495 0.260859 0.352775 H\n0.363391 0.116850 0.672105 O\n0.636609 0.883150 0.327895 O\n0.210815 0.883133 0.394834 O\n0.789185 0.116867 0.605166 O\n0.538190 0.817874 0.621578 O\n0.461810 0.182126 0.378422 O\n0.547921 0.262725 0.963245 O\n0.452079 0.737275 0.036755 O\n0.453240 0.499587 0.222522 O\n0.546760 0.500413 0.777478 O\n0.188682 0.425051 0.930696 O\n0.811318 0.574949 0.069304 O\n0.171323 0.699993 0.670482 O\n0.828677 0.300007 0.329518 O\n0.735590 0.601617 0.477559 F\n0.264410 0.398383 0.522441 F\n0.099262 0.583433 0.317901 F\n0.900738 0.416567 0.682099 F\n0.936573 0.219711 0.005182 F\n0.063427 0.780289 0.994818 F\n0.308598 0.089689 0.088853 F\n0.691402 0.910311 0.911147 F\n0.046271 0.970018 0.766906 F\n0.953729 0.029982 0.233094 F\n",
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{
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"structure_string": "Pr2 Cr1 Se4\n1.0\n2.088472 7.225943 0.000000\n-2.088472 7.225943 0.000000\n0.000000 3.788840 6.427157\nPr Cr Se\n2 1 4\ndirect\n0.281365 0.281365 0.712218 Pr\n0.718635 0.718635 0.287782 Pr\n0.000000 0.000000 0.000000 Cr\n0.374188 0.374188 0.994620 Se\n0.625812 0.625812 0.005380 Se\n0.107580 0.107580 0.600045 Se\n0.892420 0.892420 0.399955 Se\n",
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{
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"structure_string": "As12 H4 O24\n1.0\n4.709909 0.000000 0.000000\n0.000000 11.429782 0.000000\n0.000000 5.578792 11.548930\nAs H O\n12 4 24\ndirect\n0.246872 0.328879 0.029647 As\n0.746872 0.171121 0.970353 As\n0.753128 0.671121 0.970353 As\n0.253128 0.828879 0.029647 As\n0.555429 0.803318 0.554314 As\n0.055429 0.696682 0.445686 As\n0.444571 0.196682 0.445686 As\n0.944571 0.303318 0.554314 As\n0.380767 0.512420 0.751213 As\n0.880767 0.987580 0.248787 As\n0.619233 0.487580 0.248787 As\n0.119233 0.012420 0.751213 As\n0.842129 0.447162 0.728034 H\n0.342129 0.052838 0.271966 H\n0.157871 0.552838 0.271966 H\n0.657871 0.947162 0.728034 H\n0.109614 0.226028 0.964228 O\n0.609614 0.273972 0.035772 O\n0.890386 0.773972 0.035772 O\n0.390386 0.726028 0.964228 O\n0.267557 0.481912 0.890838 O\n0.767557 0.018088 0.109162 O\n0.732443 0.518088 0.109162 O\n0.232443 0.981912 0.890838 O\n0.533794 0.665827 0.704690 O\n0.033794 0.834173 0.295310 O\n0.466206 0.334173 0.295310 O\n0.966206 0.165827 0.704690 O\n0.189144 0.797718 0.513965 O\n0.689144 0.702282 0.486035 O\n0.810856 0.202282 0.486035 O\n0.310856 0.297718 0.513965 O\n0.648987 0.400982 0.765107 O\n0.148987 0.099018 0.234893 O\n0.351013 0.599018 0.234893 O\n0.851013 0.900982 0.765107 O\n0.109319 0.503343 0.668894 O\n0.609319 0.996657 0.331106 O\n0.890681 0.496657 0.331106 O\n0.390681 0.003343 0.668894 O\n",
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