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{
"id": "mp-1101132",
"created_at": "2022-09-04T14:39:25.936585Z",
"structure_string": "Te7 As5 I1\n1.0\n6.822561 0.000000 0.000000\n-0.146218 7.429101 0.000000\n-1.701965 -2.238190 8.036778\nTe As I\n7 5 1\ndirect\n0.645674 0.151280 0.447796 Te\n0.369142 0.157060 0.947716 Te\n0.079096 0.225416 0.331930 Te\n0.164817 0.442256 0.806039 Te\n0.860318 0.515008 0.199506 Te\n0.614267 0.830879 0.063769 Te\n0.317193 0.925617 0.482529 Te\n0.015635 0.971289 0.027966 As\n0.770869 0.336673 0.871722 As\n0.449714 0.368903 0.270834 As\n0.565260 0.573477 0.772294 As\n0.220523 0.724256 0.144643 As\n0.927492 0.777885 0.633257 I\n",
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"volume": 407.3480691071175,
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{
"id": "mp-1176397",
"created_at": "2022-09-04T14:39:25.909529Z",
"structure_string": "Na8 Ni4 P4 C4 O28\n1.0\n8.386164 0.000000 0.000000\n-2.032275 8.169449 0.000000\n-3.119983 -3.913335 8.882532\nNa Ni P C O\n8 4 4 4 28\ndirect\n0.499857 0.982509 0.733976 Na\n0.749153 0.755233 0.745680 Na\n0.779902 0.752302 0.267719 Na\n0.577841 0.309861 0.090230 Na\n0.233292 0.250420 0.736864 Na\n0.007510 0.497424 0.746277 Na\n0.242002 0.241918 0.251091 Na\n0.491973 0.003611 0.257265 Na\n0.062409 0.811124 0.650188 Ni\n0.436489 0.689261 0.347846 Ni\n0.558660 0.309579 0.651074 Ni\n0.937838 0.194398 0.348174 Ni\n0.195625 0.946829 0.421449 P\n0.688465 0.439899 0.420159 P\n0.303203 0.555124 0.576929 P\n0.805409 0.054218 0.578660 P\n0.237141 0.986787 0.930651 C\n0.266725 0.518411 0.070351 C\n0.730166 0.482791 0.927997 C\n0.767054 0.012836 0.068244 C\n0.676926 0.926123 0.928280 O\n0.913026 0.972707 0.674734 O\n0.838083 0.585198 0.570067 O\n0.439417 0.685883 0.544207 O\n0.064445 0.819815 0.459608 O\n0.661536 0.906409 0.424844 O\n0.285380 0.847968 0.331879 O\n0.584808 0.520625 0.319536 O\n0.757538 0.320925 0.320667 O\n0.721397 0.969103 0.167959 O\n0.220922 0.472479 0.168017 O\n0.410057 0.663075 0.131539 O\n0.908639 0.156272 0.126159 O\n0.808265 0.568761 0.067591 O\n0.183921 0.430396 0.930098 O\n0.093850 0.842646 0.867816 O\n0.587439 0.335760 0.866959 O\n0.778814 0.527411 0.830069 O\n0.290912 0.038944 0.837761 O\n0.223464 0.663598 0.673074 O\n0.408377 0.474042 0.675324 O\n0.718051 0.154474 0.671223 O\n0.339731 0.094711 0.575860 O\n0.937418 0.189575 0.546492 O\n0.552155 0.312104 0.455171 O\n0.157764 0.407938 0.426212 O\n0.087793 0.027859 0.325880 O\n0.322210 0.073867 0.072472 O\n",
"nsites": 48,
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"elements": [
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"P",
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"density": 2.8340654204684657,
"density_atomic": 0.07887662861477679,
"volume": 608.5452794188982,
"volume_molar": 7.63488610727945,
"formula_full": "Na8 Ni4 P4 C4 O28",
"formula_reduced": "Na2NiPCO7",
"formula_anonymous": "ABCD2E7",
"energy": -330.71954123,
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{
"id": "mp-1216434",
"created_at": "2022-09-04T14:39:25.958401Z",
"structure_string": "Zr8 Ti2 Pb10 O30\n1.0\n5.883601 -0.000726 0.000518\n-2.941582 1.701262 4.885221\n0.003359 -23.787010 4.876481\nZr Ti Pb O\n8 2 10 30\ndirect\n0.120317 0.240242 0.299889 Zr\n0.520238 0.040431 0.502078 Zr\n0.920852 0.841186 0.703646 Zr\n0.323093 0.645663 0.905884 Zr\n0.722014 0.444148 0.103050 Zr\n0.820170 0.639571 0.401110 Zr\n0.220332 0.440562 0.602904 Zr\n0.620395 0.241422 0.804490 Zr\n0.023655 0.048540 0.004467 Ti\n0.424614 0.847482 0.202303 Ti\n0.105461 0.211106 0.156126 Pb\n0.501537 0.000518 0.354970 Pb\n0.901584 0.803036 0.557423 Pb\n0.302183 0.604246 0.758711 Pb\n0.705657 0.413952 0.959834 Pb\n0.200954 0.402679 0.456909 Pb\n0.601671 0.203288 0.657944 Pb\n0.002942 0.003180 0.861592 Pb\n0.400926 0.801588 0.057308 Pb\n0.799206 0.600095 0.252943 Pb\n0.280994 0.506111 0.244734 O\n0.683700 0.298210 0.445162 O\n0.084576 0.097913 0.646469 O\n0.481047 0.896534 0.848181 O\n0.878518 0.702847 0.047299 O\n0.435976 0.384233 0.355565 O\n0.837328 0.185874 0.558049 O\n0.239253 0.986363 0.759024 O\n0.649834 0.795210 0.959562 O\n0.045082 0.591504 0.156833 O\n0.921561 0.396784 0.342561 O\n0.320002 0.200338 0.543829 O\n0.719469 0.000961 0.745108 O\n0.123425 0.806552 0.948259 O\n0.524531 0.601899 0.146122 O\n0.754477 0.991381 0.241617 O\n0.178864 0.799442 0.443261 O\n0.580966 0.600764 0.644375 O\n0.978666 0.399944 0.847667 O\n0.354216 0.190761 0.044893 O\n0.257155 0.981891 0.252002 O\n0.648784 0.785555 0.457083 O\n0.048227 0.586184 0.658610 O\n0.445352 0.386393 0.859957 O\n0.854589 0.181690 0.054320 O\n0.917583 0.896851 0.343550 O\n0.313484 0.697887 0.545871 O\n0.714030 0.497843 0.747298 O\n0.117580 0.286533 0.952192 O\n0.518752 0.084256 0.149225 O\n",
"nsites": 50,
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"elements": [
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"Pb",
"O"
],
"chemical_system": "O-Pb-Ti-Zr",
"density": 7.65621676663202,
"density_atomic": 0.06825567115409295,
"volume": 732.5398630557859,
"volume_molar": 8.822916335266132,
"formula_full": "Zr8 Ti2 Pb10 O30",
"formula_reduced": "Zr4Ti(PbO3)5",
"formula_anonymous": "AB4C5D15",
"energy": -410.49942607,
"energy_per_atom": -8.2099885214,
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"updated_at": "2021-11-28T01:34:37.801000Z",
"spacegroup": 1
},
{
"id": "mp-1175068",
"created_at": "2022-09-04T14:39:26.044158Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n2.882644 0.126509 0.165568\n-0.256469 5.085029 -0.755673\n0.469254 -0.373181 14.875251\nLi Mn Co O\n7 2 3 12\ndirect\n0.931036 0.432010 0.146153 Li\n0.247152 0.753547 0.504754 Li\n0.570009 0.076793 0.838775 Li\n0.432771 0.921597 0.158115 Li\n0.747501 0.258224 0.507611 Li\n0.077608 0.566218 0.843531 Li\n0.499467 0.500554 0.998772 Li\n0.998387 0.999448 0.000171 Mn\n0.837015 0.833611 0.332277 Mn\n0.335191 0.334764 0.331948 Co\n0.666432 0.664298 0.668438 Co\n0.164917 0.164762 0.668950 Co\n0.465325 0.190500 0.074993 O\n0.797534 0.558124 0.407433 O\n0.109066 0.857287 0.741944 O\n0.962539 0.735530 0.077315 O\n0.305470 0.018239 0.406975 O\n0.607276 0.360924 0.744156 O\n0.367998 0.650140 0.259111 O\n0.719094 0.971920 0.589804 O\n0.035918 0.261126 0.922821 O\n0.870543 0.110671 0.260877 O\n0.222571 0.467985 0.588449 O\n0.529179 0.811729 0.926627 O\n",
"nsites": 24,
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"elements": [
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"O"
],
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"density": 4.029271760526702,
"density_atomic": 0.11045047963772879,
"volume": 217.2919491044187,
"volume_molar": 5.4523445980065235,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.57704431,
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"updated_at": "2021-11-28T01:34:36.978000Z",
"spacegroup": 1
},
{
"id": "mp-1176549",
"created_at": "2022-09-04T14:39:26.081099Z",
"structure_string": "Li2 V6 O12\n1.0\n2.384152 -1.548975 -4.078523\n-2.541554 7.398309 -4.257584\n3.170848 1.583304 4.205395\nLi V O\n2 6 12\ndirect\n0.430884 0.143479 0.849592 Li\n0.930974 0.643503 0.849648 Li\n0.705916 0.906769 0.403017 V\n0.997783 0.002206 0.002613 V\n0.245098 0.742131 0.493697 V\n0.205801 0.406761 0.402969 V\n0.497775 0.502122 0.002542 V\n0.745085 0.242110 0.493686 V\n0.441382 0.361255 0.222530 O\n0.941423 0.861247 0.222583 O\n0.448295 0.042322 0.222251 O\n0.948318 0.542338 0.222191 O\n0.913039 0.203220 0.221129 O\n0.413175 0.703203 0.221273 O\n0.531872 0.307861 0.696365 O\n0.031954 0.807904 0.696454 O\n0.059361 0.433833 0.693124 O\n0.559415 0.933856 0.693224 O\n0.977421 0.107351 0.697123 O\n0.477432 0.607329 0.697196 O\n",
"nsites": 20,
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"formula_full": "Li2 V6 O12",
"formula_reduced": "LiV3O6",
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"spacegroup": 1
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{
"id": "mp-754685",
"created_at": "2022-09-04T14:39:26.092603Z",
"structure_string": "Li4 Cr1 Fe1 W2 O12\n1.0\n5.104899 0.000000 0.000000\n0.003856 5.407822 0.000000\n0.007090 0.536109 7.487872\nLi Cr Fe W O\n4 1 1 2 12\ndirect\n0.997147 0.437231 0.706062 Li\n0.492593 0.915108 0.214630 Li\n0.000666 0.454643 0.227783 Li\n0.512649 0.925530 0.708819 Li\n0.004970 0.980267 0.981211 Cr\n0.502116 0.496744 0.501746 Fe\n0.989809 0.003451 0.477754 W\n0.504743 0.479793 0.002297 W\n0.706824 0.198113 0.574686 O\n0.875873 0.014812 0.244933 O\n0.697900 0.819593 0.948518 O\n0.810054 0.713832 0.573025 O\n0.192679 0.708406 0.066649 O\n0.614860 0.524497 0.244551 O\n0.377459 0.525593 0.765273 O\n0.812350 0.311542 0.945976 O\n0.177707 0.314923 0.456610 O\n0.303108 0.196879 0.068517 O\n0.118920 0.007672 0.768788 O\n0.307573 0.828971 0.450975 O\n",
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"formula_full": "Li4 Cr1 Fe1 W2 O12",
"formula_reduced": "Li4CrFe(WO6)2",
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"updated_at": "2021-11-28T01:34:37.187000Z",
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{
"id": "mp-762268",
"created_at": "2022-09-04T14:39:26.140697Z",
"structure_string": "Li3 V2 O6\n1.0\n4.985715 0.000000 0.000000\n-2.424231 4.477114 0.000000\n-1.040567 -1.609120 4.794947\nLi V O\n3 2 6\ndirect\n0.004186 0.495228 0.997654 Li\n0.652028 0.849417 0.997557 Li\n0.354655 0.152154 0.005610 Li\n0.833106 0.670390 0.489341 V\n0.167487 0.318501 0.510341 V\n0.808597 0.293508 0.259824 O\n0.202338 0.699226 0.733941 O\n0.965163 0.094118 0.726495 O\n0.426789 0.543600 0.272649 O\n0.574949 0.454319 0.730158 O\n0.058454 0.933667 0.273633 O\n",
"nsites": 11,
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"elements": [
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],
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"density": 3.393073233256534,
"density_atomic": 0.10277400288882345,
"volume": 107.03095812955084,
"volume_molar": 5.859595413943832,
"formula_full": "Li3 V2 O6",
"formula_reduced": "Li3V2O6",
"formula_anonymous": "A2B3C6",
"energy": -80.14696797,
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{
"id": "mp-1218723",
"created_at": "2022-09-04T14:39:26.134791Z",
"structure_string": "Sr6 Ca2 Nd2 Mn10 O30\n1.0\n5.503907 0.000000 0.000000\n-2.509176 9.093001 0.000000\n-2.674329 -2.348309 11.567069\nSr Ca Nd Mn O\n6 2 2 10 30\ndirect\n0.948619 0.551315 0.349434 Sr\n0.345204 0.148772 0.550707 Sr\n0.452265 0.050709 0.853007 Sr\n0.850954 0.649676 0.049307 Sr\n0.650942 0.851538 0.448096 Sr\n0.050973 0.448523 0.651890 Sr\n0.152396 0.349633 0.950588 Ca\n0.552565 0.950762 0.153584 Ca\n0.751264 0.749151 0.746141 Nd\n0.244124 0.250211 0.246991 Nd\n0.498002 0.498772 0.498459 Mn\n0.700762 0.300056 0.097942 Mn\n0.098165 0.900297 0.297528 Mn\n0.900996 0.101637 0.702229 Mn\n0.301493 0.700260 0.902785 Mn\n0.599201 0.399680 0.801553 Mn\n0.796760 0.198294 0.398232 Mn\n0.199840 0.800152 0.600244 Mn\n0.002371 0.000184 0.001384 Mn\n0.401646 0.601654 0.198408 Mn\n0.148891 0.349879 0.442450 O\n0.352214 0.151054 0.057935 O\n0.747574 0.750280 0.244832 O\n0.551218 0.941731 0.657191 O\n0.950762 0.556274 0.849713 O\n0.247001 0.251337 0.754308 O\n0.444701 0.056190 0.338133 O\n0.847809 0.649227 0.554387 O\n0.658343 0.849508 0.948630 O\n0.050963 0.444875 0.151504 O\n0.429001 0.570895 0.355809 O\n0.610161 0.372537 0.957975 O\n0.013857 0.981546 0.159098 O\n0.822196 0.165967 0.554986 O\n0.212003 0.769163 0.758467 O\n0.569107 0.429464 0.642918 O\n0.782484 0.222422 0.238929 O\n0.173167 0.831667 0.443285 O\n0.967387 0.016287 0.841558 O\n0.362854 0.614717 0.038246 O\n0.366605 0.645024 0.576400 O\n0.549802 0.435670 0.174920 O\n0.960646 0.044981 0.370266 O\n0.766307 0.245248 0.777966 O\n0.179272 0.849126 0.982204 O\n0.628714 0.352554 0.420693 O\n0.863255 0.167858 0.026290 O\n0.251903 0.763565 0.225012 O\n0.034926 0.951508 0.631486 O\n0.458337 0.568169 0.825897 O\n",
"nsites": 50,
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"elements": [
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"Nd",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-Nd-O-Sr",
"density": 5.518103711176358,
"density_atomic": 0.08637108042396208,
"volume": 578.8974707109072,
"volume_molar": 6.972404108458121,
"formula_full": "Sr6 Ca2 Nd2 Mn10 O30",
"formula_reduced": "Sr3CaNdMn5O15",
"formula_anonymous": "ABC3D5E15",
"energy": -392.69781246,
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{
"id": "mp-1234722",
"created_at": "2022-09-04T14:39:26.156806Z",
"structure_string": "Ca1 Nb2 Te4 Cl10 O1\n1.0\n6.939455 0.199908 0.067332\n2.597224 8.678129 1.317091\n-0.687370 -0.074627 9.605325\nCa Nb Te Cl O\n1 2 4 10 1\ndirect\n0.146595 0.042326 0.659753 Ca\n0.531738 0.622703 0.631700 Nb\n0.496412 0.360618 0.355707 Nb\n0.199003 0.913213 0.163007 Te\n0.070333 0.193476 0.985105 Te\n0.930431 0.808715 0.010241 Te\n0.757307 0.102565 0.856410 Te\n0.466314 0.170740 0.208379 Cl\n0.418326 0.490835 0.819563 Cl\n0.842615 0.180604 0.447158 Cl\n0.158946 0.525306 0.276975 Cl\n0.639459 0.492660 0.196271 Cl\n0.364224 0.216677 0.548114 Cl\n0.876644 0.499027 0.730335 Cl\n0.619788 0.797237 0.468355 Cl\n0.163623 0.776235 0.560889 Cl\n0.500126 0.841396 0.799280 Cl\n0.521822 0.487098 0.504189 O\n",
"nsites": 18,
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"elements": [
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"Te",
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],
"chemical_system": "Ca-Cl-Nb-O-Te",
"density": 3.199999549183332,
"density_atomic": 0.03133980311923547,
"volume": 574.3494919708708,
"volume_molar": 19.215630478239298,
"formula_full": "Ca1 Nb2 Te4 Cl10 O1",
"formula_reduced": "CaNb2Te4Cl10O",
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},
{
"id": "mp-1176351",
"created_at": "2022-09-04T14:39:26.147869Z",
"structure_string": "Na3 Li3 Fe2 P2 C2 O14\n1.0\n5.057374 0.000000 0.000000\n0.070527 6.785290 0.000000\n0.427685 0.124178 8.657767\nNa Li Fe P C O\n3 3 2 2 2 14\ndirect\n0.746978 0.995413 0.738893 Na\n0.747085 0.502719 0.739083 Na\n0.254472 0.499805 0.258478 Na\n0.241159 0.763043 0.908090 Li\n0.243651 0.022167 0.277679 Li\n0.753425 0.232811 0.095580 Li\n0.226674 0.248496 0.648962 Fe\n0.784634 0.757873 0.345667 Fe\n0.292203 0.754726 0.589676 P\n0.718678 0.247479 0.402731 P\n0.274738 0.238428 0.957733 C\n0.710881 0.753196 0.048682 C\n0.637624 0.746025 0.908524 O\n0.028598 0.244177 0.921757 O\n0.459181 0.248750 0.846550 O\n0.212036 0.930014 0.697644 O\n0.207214 0.566041 0.682137 O\n0.599606 0.751871 0.561135 O\n0.844136 0.250944 0.562519 O\n0.166248 0.772064 0.430351 O\n0.411593 0.224086 0.430447 O\n0.776007 0.437077 0.305261 O\n0.829816 0.074662 0.301585 O\n0.529554 0.767203 0.160644 O\n0.959184 0.747722 0.081274 O\n0.344627 0.223209 0.098919 O\n",
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],
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"formula_full": "Na3 Li3 Fe2 P2 C2 O14",
"formula_reduced": "Na3Li3Fe2P2(CO7)2",
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},
{
"id": "mp-1245294",
"created_at": "2022-09-04T14:39:26.170314Z",
"structure_string": "Ti50 O50\n1.0\n10.637669 0.376976 0.772217\n0.378554 10.318217 0.201415\n0.769711 0.205628 10.827619\nTi O\n50 50\ndirect\n0.329954 0.274080 0.166138 Ti\n0.353617 0.776713 0.461584 Ti\n0.602693 0.890424 0.335946 Ti\n0.939743 0.979128 0.853663 Ti\n0.350821 0.010786 0.311840 Ti\n0.519643 0.307108 0.926780 Ti\n0.363183 0.759840 0.184367 Ti\n0.101763 0.063182 0.398901 Ti\n0.041074 0.853627 0.055725 Ti\n0.168286 0.063214 0.134205 Ti\n0.067955 0.296979 0.683696 Ti\n0.321359 0.810957 0.935368 Ti\n0.124597 0.823486 0.313275 Ti\n0.555804 0.807148 0.612833 Ti\n0.415570 0.435582 0.460308 Ti\n0.075778 0.473337 0.865976 Ti\n0.867421 0.725187 0.228415 Ti\n0.604000 0.839587 0.864903 Ti\n0.347789 0.664814 0.707871 Ti\n0.261438 0.204663 0.925173 Ti\n0.153600 0.320020 0.424882 Ti\n0.483583 0.471715 0.186202 Ti\n0.846220 0.494747 0.741642 Ti\n0.095271 0.551953 0.591988 Ti\n0.105949 0.770090 0.795743 Ti\n0.854804 0.714716 0.970949 Ti\n0.853642 0.767666 0.727479 Ti\n0.027408 0.479278 0.121735 Ti\n0.687219 0.019526 0.565239 Ti\n0.486397 0.087996 0.472808 Ti\n0.459362 0.017562 0.041781 Ti\n0.619450 0.158516 0.220245 Ti\n0.596991 0.648506 0.047499 Ti\n0.924337 0.038143 0.583624 Ti\n0.279021 0.528015 0.025687 Ti\n0.170012 0.008651 0.654372 Ti\n0.924593 0.505446 0.416405 Ti\n0.731967 0.476325 0.242159 Ti\n0.854547 0.777256 0.474713 Ti\n0.186471 0.540089 0.282117 Ti\n0.604582 0.315879 0.624697 Ti\n0.771131 0.970671 0.066718 Ti\n0.622941 0.570075 0.495299 Ti\n0.933548 0.218159 0.033284 Ti\n0.389313 0.014991 0.786979 Ti\n0.858849 0.986453 0.312565 Ti\n0.820689 0.227878 0.784953 Ti\n0.581686 0.532974 0.803424 Ti\n0.307970 0.239680 0.661733 Ti\n0.910538 0.249834 0.295621 Ti\n0.275370 0.679598 0.342466 O\n0.978360 0.204177 0.456849 O\n0.549629 0.511181 0.344410 O\n0.631290 0.341677 0.189301 O\n0.179950 0.181252 0.552734 O\n0.466387 0.271150 0.529897 O\n0.219045 0.169291 0.288196 O\n0.980015 0.917591 0.433359 O\n0.318603 0.398067 0.321854 O\n0.813048 0.122744 0.942547 O\n0.484153 0.812029 0.031825 O\n0.779389 0.885111 0.879209 O\n0.049161 0.396017 0.296794 O\n0.423034 0.575059 0.561825 O\n0.791035 0.384190 0.393442 O\n0.285018 0.006152 0.967887 O\n0.915937 0.619828 0.586409 O\n0.749967 0.177419 0.638324 O\n0.577119 0.956280 0.720420 O\n0.597878 0.977724 0.154406 O\n0.005002 0.890558 0.683259 O\n0.359559 0.045655 0.611110 O\n0.193435 0.326542 0.803169 O\n0.237879 0.637409 0.879291 O\n0.478313 0.374548 0.754050 O\n0.774423 0.637010 0.384990 O\n0.996172 0.125329 0.729029 O\n0.996632 0.664491 0.078782 O\n0.336794 0.349025 0.988624 O\n0.459280 0.141632 0.885111 O\n0.544181 0.747505 0.443344 O\n0.972883 0.630352 0.815290 O\n0.028870 0.043249 0.014884 O\n0.224231 0.407553 0.569840 O\n0.723571 0.646743 0.857804 O\n0.689352 0.359498 0.849980 O\n0.669983 0.072146 0.382884 O\n0.267293 0.864099 0.762500 O\n0.201053 0.814083 0.121713 O\n0.198017 0.692638 0.616711 O\n0.512152 0.499755 0.992940 O\n0.696503 0.480420 0.637196 O\n0.940685 0.349499 0.856274 O\n0.500895 0.196800 0.095442 O\n0.820830 0.126910 0.184193 O\n0.484932 0.722006 0.796194 O\n0.016474 0.667521 0.338019 O\n0.751100 0.631236 0.124223 O\n0.227626 0.923127 0.446739 O\n0.878136 0.368436 0.138976 O\n",
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"volume": 1180.4585351569476,
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"formula_full": "Ti50 O50",
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},
{
"id": "mp-1233326",
"created_at": "2022-09-04T14:39:26.210032Z",
"structure_string": "Ca1 Tb4 Al2 Fe2 O12\n1.0\n5.751316 -0.336518 -0.060971\n-0.370936 6.024649 0.032651\n-0.088386 0.042227 7.373924\nCa Tb Al Fe O\n1 4 2 2 12\ndirect\n0.890420 0.205908 0.845316 Ca\n0.485651 0.567542 0.251454 Tb\n0.049118 0.061317 0.253705 Tb\n0.460936 0.421245 0.750262 Tb\n0.155294 0.871897 0.699079 Tb\n0.971473 0.486903 0.489066 Al\n0.486565 0.994291 0.014209 Al\n0.962443 0.603560 0.035357 Fe\n0.611126 0.009947 0.478985 Fe\n0.404578 0.947073 0.258756 O\n0.087655 0.441709 0.252296 O\n0.541714 0.040950 0.747382 O\n0.888244 0.560216 0.748622 O\n0.773978 0.879586 0.056733 O\n0.664305 0.347756 0.460089 O\n0.095538 0.209917 0.572178 O\n0.320959 0.690676 0.951924 O\n0.216406 0.124048 0.960334 O\n0.303036 0.632306 0.538643 O\n0.866863 0.783282 0.433413 O\n0.638701 0.334157 0.041482 O\n",
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"formula_full": "Ca1 Tb4 Al2 Fe2 O12",
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]
}