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{
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{
"id": "mp-1217433",
"created_at": "2022-09-04T14:41:21.167274Z",
"structure_string": "Tb1 U1 Te4\n1.0\n-2.108212 3.052075 7.093578\n2.108212 -3.052075 7.093578\n2.108212 3.052075 -7.093578\nTb U Te\n1 1 4\ndirect\n0.138664 0.138664 0.000000 Tb\n0.862975 0.862975 0.000000 U\n0.705995 0.205995 0.500000 Te\n0.297567 0.797567 0.500000 Te\n0.749464 0.497400 0.252065 Te\n0.245335 0.497400 0.747935 Te\n",
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{
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{
"id": "mp-1305526",
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"structure_string": "Li4 V10 O20\n1.0\n5.179512 -0.068397 0.314315\n1.841492 6.699062 7.116078\n-1.099762 -3.223993 7.660136\nLi V O\n4 10 20\ndirect\n0.730950 0.466538 0.928135 Li\n0.246029 0.974939 0.424444 Li\n0.769034 0.033430 0.571951 Li\n0.253787 0.525067 0.075543 Li\n0.249947 0.749945 0.250170 V\n0.750032 0.249977 0.750013 V\n0.778238 0.348518 0.337524 V\n0.289252 0.849790 0.833819 V\n0.721607 0.151077 0.162578 V\n0.211071 0.650488 0.666055 V\n0.264439 0.429768 0.467827 V\n0.768290 0.922500 0.967285 V\n0.235353 0.070349 0.032078 V\n0.731983 0.577371 0.532795 V\n0.012654 0.036784 0.825229 O\n0.518790 0.547729 0.327080 O\n0.487355 0.463285 0.674680 O\n0.981194 0.952287 0.172924 O\n0.923816 0.142729 0.361141 O\n0.413085 0.642304 0.865318 O\n0.576219 0.357088 0.138890 O\n0.086906 0.857842 0.634664 O\n0.949592 0.373544 0.579726 O\n0.461589 0.856216 0.070879 O\n0.550409 0.126460 0.920286 O\n0.038403 0.643862 0.429086 O\n0.931845 0.245146 0.973021 O\n0.456355 0.745333 0.476079 O\n0.568019 0.254888 0.526950 O\n0.043688 0.754710 0.023940 O\n0.049406 0.426927 0.264320 O\n0.563675 0.923837 0.759816 O\n0.450350 0.073016 0.235729 O\n0.936639 0.576257 0.740026 O\n",
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"formula_full": "Li4 V10 O20",
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"spacegroup": 2
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{
"id": "mp-1205092",
"created_at": "2022-09-04T14:41:21.259321Z",
"structure_string": "S24 N8\n1.0\n7.813462 0.000000 0.000000\n0.000000 8.614562 0.000000\n0.000000 0.000000 13.263217\nS N\n24 8\ndirect\n0.259285 0.641878 0.136827 S\n0.240715 0.141878 0.363173 S\n0.740715 0.358122 0.636827 S\n0.759285 0.858122 0.863173 S\n0.740715 0.358122 0.863173 S\n0.759285 0.858122 0.636827 S\n0.259285 0.641878 0.363173 S\n0.240715 0.141878 0.136827 S\n0.010137 0.719688 0.109767 S\n0.489863 0.219688 0.390233 S\n0.989863 0.280312 0.609767 S\n0.510137 0.780312 0.890233 S\n0.989863 0.280312 0.890233 S\n0.510137 0.780312 0.609767 S\n0.010137 0.719688 0.390233 S\n0.489863 0.219688 0.109767 S\n0.831809 0.543104 0.137182 S\n0.668191 0.043104 0.362818 S\n0.168191 0.456896 0.637182 S\n0.331809 0.956896 0.862818 S\n0.168191 0.456896 0.862818 S\n0.331809 0.956896 0.637182 S\n0.831809 0.543104 0.362818 S\n0.668191 0.043104 0.137182 S\n0.326833 0.674057 0.250000 N\n0.173167 0.174057 0.250000 N\n0.673167 0.325943 0.750000 N\n0.826833 0.825943 0.750000 N\n0.755465 0.543723 0.250000 N\n0.744535 0.043723 0.250000 N\n0.244535 0.456277 0.750000 N\n0.255465 0.956277 0.750000 N\n",
"nsites": 32,
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"elements": [
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],
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"density": 1.639841216672384,
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"volume": 892.7412054055851,
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"formula_full": "S24 N8",
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},
{
"id": "mp-1077738",
"created_at": "2022-09-04T14:41:27.375851Z",
"structure_string": "Yb1 Cd1 Ni4\n1.0\n0.000000 3.452813 3.452813\n3.452813 0.000000 3.452813\n3.452813 3.452813 0.000000\nYb Cd Ni\n1 1 4\ndirect\n0.250000 0.250000 0.250000 Yb\n0.000000 0.000000 0.000000 Cd\n0.624948 0.624948 0.125157 Ni\n0.624948 0.125157 0.624948 Ni\n0.125157 0.624948 0.624948 Ni\n0.624948 0.624948 0.624948 Ni\n",
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],
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"updated_at": "2021-11-28T01:35:16.420000Z",
"spacegroup": 216
},
{
"id": "mp-1043719",
"created_at": "2022-09-04T14:41:27.400223Z",
"structure_string": "Ti4 Zn2 P6 O24\n1.0\n7.387839 -4.338372 0.000000\n7.387839 4.338372 0.000000\n4.840210 0.000000 7.069229\nTi Zn P O\n4 2 6 24\ndirect\n0.354880 0.354880 0.354880 Ti\n0.854880 0.854880 0.854880 Ti\n0.145120 0.145120 0.145120 Ti\n0.645120 0.645120 0.645120 Ti\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Zn\n0.454506 0.045494 0.750000 P\n0.750000 0.454506 0.045494 P\n0.045494 0.750000 0.454506 P\n0.954506 0.250000 0.545494 P\n0.250000 0.545494 0.954506 P\n0.545494 0.954506 0.250000 P\n0.501506 0.114888 0.314426 O\n0.114888 0.314426 0.501506 O\n0.260255 0.058512 0.912191 O\n0.314426 0.501506 0.114888 O\n0.614888 0.001506 0.814426 O\n0.441488 0.239745 0.587809 O\n0.912191 0.260255 0.058512 O\n0.587809 0.441488 0.239745 O\n0.998494 0.185574 0.385112 O\n0.239745 0.587809 0.441488 O\n0.941488 0.087809 0.739745 O\n0.185574 0.385112 0.998494 O\n0.814426 0.614888 0.001506 O\n0.058512 0.912191 0.260255 O\n0.760255 0.412191 0.558512 O\n0.001506 0.814426 0.614888 O\n0.412191 0.558512 0.760255 O\n0.087809 0.739745 0.941488 O\n0.558512 0.760255 0.412191 O\n0.385112 0.998494 0.185574 O\n0.685574 0.498494 0.885112 O\n0.739745 0.941488 0.087809 O\n0.885112 0.685574 0.498494 O\n0.498494 0.885112 0.685574 O\n",
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{
"id": "mp-762355",
"created_at": "2022-09-04T14:41:22.953745Z",
"structure_string": "Li4 Ti4 P8 O28\n1.0\n8.010567 0.000000 0.000000\n0.000000 7.293859 0.000000\n0.000000 3.400765 9.067386\nLi Ti P O\n4 4 8 28\ndirect\n0.978054 0.703245 0.785021 Li\n0.521946 0.703245 0.285021 Li\n0.478054 0.296755 0.714979 Li\n0.021946 0.296755 0.214979 Li\n0.506414 0.738790 0.747591 Ti\n0.993586 0.738790 0.247591 Ti\n0.006414 0.261210 0.752409 Ti\n0.493586 0.261210 0.252409 Ti\n0.758630 0.918437 0.955950 P\n0.741370 0.918437 0.455950 P\n0.211880 0.669526 0.548446 P\n0.711880 0.330474 0.951554 P\n0.288120 0.669526 0.048446 P\n0.788120 0.330474 0.451554 P\n0.258630 0.081563 0.544050 P\n0.241370 0.081563 0.044050 P\n0.919671 0.967661 0.863343 O\n0.632904 0.808147 0.898674 O\n0.580329 0.967661 0.363343 O\n0.164784 0.877159 0.564998 O\n0.299977 0.688580 0.886360 O\n0.714393 0.813447 0.622049 O\n0.867096 0.808147 0.398674 O\n0.391059 0.614719 0.605766 O\n0.335216 0.877159 0.064998 O\n0.579254 0.456173 0.846129 O\n0.200023 0.688580 0.386360 O\n0.785607 0.813447 0.122049 O\n0.079254 0.543827 0.653871 O\n0.891059 0.385281 0.894234 O\n0.108941 0.614719 0.105766 O\n0.920746 0.456173 0.346129 O\n0.214393 0.186553 0.877951 O\n0.799977 0.311420 0.613640 O\n0.420746 0.543827 0.153871 O\n0.664784 0.122841 0.935002 O\n0.608941 0.385281 0.394234 O\n0.132904 0.191853 0.601326 O\n0.285607 0.186553 0.377951 O\n0.700023 0.311420 0.113640 O\n0.835216 0.122841 0.435002 O\n0.419671 0.032339 0.636657 O\n0.367096 0.191853 0.101326 O\n0.080329 0.032339 0.136657 O\n",
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{
"id": "mp-1041392",
"created_at": "2022-09-04T14:41:23.011598Z",
"structure_string": "V8 Zn4 Cu8 O32\n1.0\n8.423668 0.000000 0.000000\n0.000000 6.512150 0.000000\n0.000000 0.104928 11.830681\nV Zn Cu O\n8 4 8 32\ndirect\n0.540833 0.898067 0.845006 V\n0.959167 0.898067 0.345006 V\n0.912036 0.392074 0.134157 V\n0.040833 0.101933 0.654994 V\n0.087964 0.607926 0.865843 V\n0.412036 0.607926 0.365843 V\n0.587964 0.392074 0.634157 V\n0.459167 0.101933 0.154994 V\n0.833948 0.891305 0.052105 Zn\n0.166052 0.108695 0.947895 Zn\n0.333948 0.108695 0.447895 Zn\n0.666052 0.891305 0.552105 Zn\n0.815911 0.235922 0.872547 Cu\n0.941997 0.620338 0.629905 Cu\n0.058003 0.379662 0.370095 Cu\n0.184089 0.764078 0.127453 Cu\n0.684089 0.235922 0.372547 Cu\n0.558003 0.620338 0.129905 Cu\n0.315911 0.764078 0.627453 Cu\n0.441997 0.379662 0.870095 Cu\n0.766386 0.963853 0.396085 O\n0.986742 0.336798 0.599106 O\n0.419282 0.807943 0.469812 O\n0.919282 0.192057 0.030188 O\n0.733614 0.963853 0.896085 O\n0.233614 0.036147 0.603915 O\n0.897041 0.913592 0.616847 O\n0.096703 0.495023 0.138979 O\n0.403297 0.495023 0.638979 O\n0.131843 0.684665 0.723681 O\n0.631843 0.315335 0.776319 O\n0.903297 0.504977 0.861021 O\n0.102959 0.086408 0.383153 O\n0.461389 0.119719 0.300023 O\n0.719672 0.581641 0.587406 O\n0.780328 0.581641 0.087406 O\n0.961389 0.880281 0.199977 O\n0.596703 0.504977 0.361021 O\n0.538611 0.880281 0.699977 O\n0.580718 0.192057 0.530188 O\n0.513258 0.336798 0.099106 O\n0.868157 0.315335 0.276319 O\n0.266386 0.036147 0.103915 O\n0.602959 0.913592 0.116847 O\n0.080718 0.807943 0.969812 O\n0.219672 0.418359 0.912594 O\n0.013258 0.663202 0.400894 O\n0.486742 0.663202 0.900894 O\n0.397041 0.086408 0.883153 O\n0.280328 0.418359 0.412594 O\n0.368157 0.684665 0.223681 O\n0.038611 0.119719 0.800023 O\n",
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{
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"elements": [
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],
"chemical_system": "Ce-Cl-K-Na",
"density": 2.2997226777473605,
"density_atomic": 0.0305035954688714,
"volume": 327.83020644910187,
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"formula_full": "K2 Na1 Ce1 Cl6",
"formula_reduced": "K2NaCeCl6",
"formula_anonymous": "ABC2D6",
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"updated_at": "2021-11-28T01:35:21.616000Z",
"spacegroup": 225
},
{
"id": "mp-864948",
"created_at": "2022-09-04T14:41:27.465310Z",
"structure_string": "Mn1 Ga1 Pt2\n1.0\n0.000000 3.114481 3.114481\n3.114481 0.000000 3.114481\n3.114481 3.114481 0.000000\nMn Ga Pt\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Ga\n0.750000 0.750000 0.750000 Pt\n0.250000 0.250000 0.250000 Pt\n",
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"elements": [
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],
"chemical_system": "Ga-Mn-Pt",
"density": 14.148978441271161,
"density_atomic": 0.06620227871019678,
"volume": 60.4208809414275,
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"formula_full": "Mn1 Ga1 Pt2",
"formula_reduced": "MnGaPt2",
"formula_anonymous": "ABC2",
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"updated_at": "2021-11-28T01:35:20.049000Z",
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},
{
"id": "mp-1096427",
"created_at": "2022-09-04T14:41:27.511038Z",
"structure_string": "Ga1 Si1 Tc2\n1.0\n-4.826597 5.239461 7.405284\n4.826597 -5.239461 7.405284\n4.826597 5.239461 -7.405284\nGa Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Ga\n0.000000 0.000000 0.000000 Si\n0.000000 0.236684 0.236684 Tc\n0.000000 0.763316 0.763316 Tc\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Ga-Si-Tc",
"density": 0.6513045207316063,
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"volume": 749.0819990027289,
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"formula_full": "Ga1 Si1 Tc2",
"formula_reduced": "GaSiTc2",
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"updated_at": "2021-11-28T01:35:22.851000Z",
"spacegroup": 71
},
{
"id": "mp-1211626",
"created_at": "2022-09-04T14:41:23.062317Z",
"structure_string": "K2 V6 Cd2 Cu8 O26\n1.0\n0.000000 -6.271828 0.000000\n-8.387123 0.000000 1.125025\n-0.018428 0.000000 -10.921547\nK V Cd Cu O\n2 6 2 8 26\ndirect\n0.750000 0.513575 0.895104 K\n0.250000 0.486425 0.104896 K\n0.750000 0.464411 0.293571 V\n0.250000 0.535589 0.706429 V\n0.750000 0.140416 0.005429 V\n0.250000 0.859584 0.994571 V\n0.750000 0.179010 0.620186 V\n0.250000 0.820990 0.379814 V\n0.750000 0.805868 0.137244 Cd\n0.250000 0.194132 0.862756 Cd\n0.750000 0.599899 0.601999 Cu\n0.250000 0.400101 0.398001 Cu\n0.996607 0.891241 0.724035 Cu\n0.003393 0.108759 0.275965 Cu\n0.496607 0.108759 0.275965 Cu\n0.503393 0.891241 0.724035 Cu\n0.750000 0.856476 0.439658 Cu\n0.250000 0.143524 0.560342 Cu\n0.750000 0.977419 0.895926 O\n0.250000 0.022581 0.104074 O\n0.750000 0.620083 0.420423 O\n0.250000 0.379917 0.579577 O\n0.750000 0.550351 0.162261 O\n0.250000 0.449649 0.837739 O\n0.750000 0.837476 0.620663 O\n0.250000 0.162524 0.379337 O\n0.750000 0.380531 0.622425 O\n0.250000 0.619469 0.377575 O\n0.750000 0.077093 0.169382 O\n0.250000 0.922907 0.830618 O\n0.480435 0.658099 0.710588 O\n0.519565 0.341901 0.289412 O\n0.980435 0.341901 0.289412 O\n0.019565 0.658099 0.710588 O\n0.750000 0.088561 0.467623 O\n0.250000 0.911439 0.532377 O\n0.968723 0.255572 0.985103 O\n0.031277 0.744428 0.014897 O\n0.468723 0.744428 0.014897 O\n0.531277 0.255572 0.985103 O\n0.009354 0.880859 0.307217 O\n0.990646 0.119141 0.692783 O\n0.509354 0.119141 0.692783 O\n0.490646 0.880859 0.307217 O\n",
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],
"chemical_system": "Cd-Cu-K-O-V",
"density": 4.430036702949642,
"density_atomic": 0.07657078203019753,
"volume": 574.6317176524009,
"volume_molar": 7.864802474689398,
"formula_full": "K2 V6 Cd2 Cu8 O26",
"formula_reduced": "KV3CdCu4O13",
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"updated_at": "2021-11-28T01:35:19.471000Z",
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}
]
}