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{
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{
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{
"id": "mp-1228062",
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"structure_string": "Ca1 Ce1 Fe8 Sb24\n1.0\n-4.591131 -4.581706 4.576594\n-4.591131 4.581706 -4.576594\n0.000000 -9.219607 -9.209393\nCa Ce Fe Sb\n1 1 8 24\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ce\n0.749412 0.749303 0.251433 Fe\n0.250588 0.250697 0.748568 Fe\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.250697 0.250588 0.251433 Fe\n0.749303 0.749412 0.748568 Fe\n0.830565 0.495342 0.332705 Sb\n0.328547 0.995160 0.833128 Sb\n0.671453 0.004840 0.166872 Sb\n0.169435 0.504658 0.667295 Sb\n0.504658 0.169435 0.332705 Sb\n0.004840 0.671453 0.833128 Sb\n0.995160 0.328547 0.166872 Sb\n0.495342 0.830565 0.667295 Sb\n0.746567 0.585042 0.081469 Sb\n0.248056 0.084388 0.581779 Sb\n0.751944 0.915612 0.418221 Sb\n0.253433 0.414958 0.918531 Sb\n0.084388 0.248056 0.418221 Sb\n0.585042 0.746567 0.918531 Sb\n0.414958 0.253433 0.081469 Sb\n0.915612 0.751944 0.581779 Sb\n0.251249 0.748751 0.414092 Sb\n0.752196 0.247804 0.914158 Sb\n0.247804 0.752196 0.085842 Sb\n0.748751 0.251249 0.585908 Sb\n0.413921 0.586079 0.251287 Sb\n0.914111 0.085889 0.752291 Sb\n0.085889 0.914111 0.247709 Sb\n0.586079 0.413921 0.748713 Sb\n",
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"volume": 774.8830946612345,
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"formula_full": "Ca1 Ce1 Fe8 Sb24",
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"spacegroup": 12
},
{
"id": "mp-1236032",
"created_at": "2022-09-04T14:46:18.995115Z",
"structure_string": "Li1 Zn4 Sn4 O8\n1.0\n3.288186 -0.272967 0.671766\n0.810378 9.043276 0.547598\n-0.222010 0.144465 9.359966\nLi Zn Sn O\n1 4 4 8\ndirect\n0.645287 0.542640 0.265698 Li\n0.576370 0.001370 0.338358 Zn\n0.383453 0.968462 0.715154 Zn\n0.204333 0.788484 0.112082 Zn\n0.781502 0.208734 0.901294 Zn\n0.938381 0.278444 0.559775 Sn\n0.153665 0.293385 0.163777 Sn\n0.835694 0.652386 0.864201 Sn\n0.023709 0.713094 0.478761 Sn\n0.483226 0.850113 0.543458 O\n0.259543 0.309717 0.938116 O\n0.717208 0.665741 0.095975 O\n0.492221 0.175031 0.461439 O\n0.869315 0.090064 0.731423 O\n0.668780 0.149344 0.142630 O\n0.104222 0.888460 0.292628 O\n0.313508 0.810742 0.885131 O\n",
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{
"id": "mp-1100567",
"created_at": "2022-09-04T14:46:18.999070Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.885781 0.000000 0.000000\n0.000000 5.865469 0.000000\n0.000000 0.109315 17.314911\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.746572 0.865319 Li\n0.500000 0.250867 0.622993 Li\n0.500000 0.751599 0.382498 Li\n0.000000 0.995114 0.734434 Li\n0.000000 0.503668 0.509109 Li\n0.000000 0.995638 0.262092 Li\n0.500000 0.251840 0.130192 Li\n0.000000 0.501396 0.994254 Li\n0.500000 0.750329 0.624104 Li\n0.000000 0.002419 0.996273 Mn\n0.500000 0.743666 0.126606 Mn\n0.000000 0.508916 0.733589 Co\n0.000000 0.992191 0.513795 Co\n0.000000 0.497871 0.258253 Co\n0.500000 0.239587 0.380350 Co\n0.500000 0.263899 0.867143 Co\n0.500000 0.781335 0.995046 O\n0.500000 0.266953 0.754710 O\n0.500000 0.773694 0.500353 O\n0.000000 0.021723 0.885109 O\n0.000000 0.496879 0.630124 O\n0.000000 0.017326 0.376997 O\n0.500000 0.265472 0.251372 O\n0.000000 0.518371 0.124040 O\n0.500000 0.731181 0.749632 O\n0.500000 0.226732 0.497195 O\n0.500000 0.733113 0.250736 O\n0.000000 0.003112 0.617773 O\n0.000000 0.482311 0.373570 O\n0.000000 0.975031 0.113427 O\n0.500000 0.224159 0.001229 O\n0.000000 0.487037 0.877681 O\n",
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"volume": 293.08013106589334,
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"formula_full": "Li9 Mn2 Co5 O16",
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{
"id": "mp-1217315",
"created_at": "2022-09-04T14:46:19.022782Z",
"structure_string": "Th1 U1 Be26\n1.0\n0.000000 5.122400 5.122400\n5.122400 0.000000 5.122400\n5.122400 5.122400 0.000000\nTh U Be\n1 1 26\ndirect\n0.000000 0.000000 0.000000 Th\n0.500000 0.500000 0.500000 U\n0.537708 0.312970 0.957347 Be\n0.957347 0.191976 0.537708 Be\n0.312970 0.537708 0.191976 Be\n0.191976 0.957347 0.312970 Be\n0.042653 0.687030 0.462292 Be\n0.462292 0.808024 0.042653 Be\n0.687030 0.042653 0.808024 Be\n0.808024 0.462292 0.687030 Be\n0.957347 0.537708 0.312970 Be\n0.537708 0.957347 0.191976 Be\n0.191976 0.312970 0.537708 Be\n0.312970 0.191976 0.957347 Be\n0.462292 0.042653 0.687030 Be\n0.042653 0.462292 0.808024 Be\n0.808024 0.687030 0.042653 Be\n0.687030 0.808024 0.462292 Be\n0.312970 0.957347 0.537708 Be\n0.191976 0.537708 0.957347 Be\n0.537708 0.191976 0.312970 Be\n0.957347 0.312970 0.191976 Be\n0.687030 0.462292 0.042653 Be\n0.808024 0.042653 0.462292 Be\n0.042653 0.808024 0.687030 Be\n0.462292 0.687030 0.808024 Be\n0.250000 0.250000 0.250000 Be\n0.750000 0.750000 0.750000 Be\n",
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{
"id": "mp-1213064",
"created_at": "2022-09-04T14:46:19.028021Z",
"structure_string": "Dy7 Co6 Sn23\n1.0\n4.861509 -8.420380 0.000000\n4.861509 8.420380 0.000000\n0.000000 0.000000 9.970785\nDy Co Sn\n7 6 23\ndirect\n0.000000 0.000000 0.000000 Dy\n0.478962 0.521038 0.305837 Dy\n0.521038 0.478962 0.694163 Dy\n0.478962 0.957924 0.305837 Dy\n0.521038 0.042076 0.694163 Dy\n0.042076 0.521038 0.305837 Dy\n0.957924 0.478962 0.694163 Dy\n0.832458 0.167542 0.197786 Co\n0.167542 0.832458 0.802214 Co\n0.832458 0.664915 0.197786 Co\n0.167542 0.335085 0.802214 Co\n0.335085 0.167542 0.197786 Co\n0.664915 0.832458 0.802214 Co\n0.346110 0.000000 0.000000 Sn\n0.653890 0.000000 0.000000 Sn\n0.000000 0.346110 0.000000 Sn\n0.000000 0.653890 0.000000 Sn\n0.653890 0.653890 0.000000 Sn\n0.346110 0.346110 0.000000 Sn\n0.333333 0.666667 0.818118 Sn\n0.666667 0.333333 0.181882 Sn\n0.000000 0.000000 0.500000 Sn\n0.781036 0.218964 0.452967 Sn\n0.218964 0.781036 0.547033 Sn\n0.781036 0.562072 0.452967 Sn\n0.218964 0.437928 0.547033 Sn\n0.437928 0.218964 0.452967 Sn\n0.562072 0.781036 0.547033 Sn\n0.333333 0.666667 0.116683 Sn\n0.666667 0.333333 0.883317 Sn\n0.117912 0.882088 0.275273 Sn\n0.882088 0.117912 0.724727 Sn\n0.117912 0.235824 0.275273 Sn\n0.882088 0.764176 0.724727 Sn\n0.764176 0.882088 0.275273 Sn\n0.235824 0.117912 0.724727 Sn\n",
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"formula_full": "Dy7 Co6 Sn23",
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{
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"created_at": "2022-09-04T14:46:19.031032Z",
"structure_string": "Cu2 O4\n1.0\n1.412615 -5.210747 0.000000\n1.412615 5.210747 0.000000\n0.000000 0.000000 4.343424\nCu O\n2 4\ndirect\n0.832747 0.167253 0.750000 Cu\n0.167253 0.832747 0.250000 Cu\n0.448514 0.551486 0.750000 O\n0.551486 0.448514 0.250000 O\n0.211030 0.788970 0.750000 O\n0.788970 0.211030 0.250000 O\n",
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{
"id": "mp-653697",
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"structure_string": "Ta8 Co16 Te16\n1.0\n6.550938 0.000000 0.000000\n0.000000 6.575380 0.000000\n0.000000 0.000000 18.110230\nTa Co Te\n8 16 16\ndirect\n0.349530 0.750000 0.724208 Ta\n0.650470 0.250000 0.275792 Ta\n0.651000 0.750000 0.264513 Ta\n0.849530 0.250000 0.775792 Ta\n0.151000 0.250000 0.235487 Ta\n0.849000 0.750000 0.764513 Ta\n0.349000 0.250000 0.735487 Ta\n0.150470 0.750000 0.224208 Ta\n0.044169 0.467359 0.682034 Co\n0.044169 0.032641 0.682034 Co\n0.654117 0.465909 0.682019 Co\n0.455831 0.467359 0.182034 Co\n0.654117 0.034091 0.682019 Co\n0.544169 0.967359 0.817966 Co\n0.544169 0.532641 0.817966 Co\n0.955831 0.967359 0.317966 Co\n0.154117 0.534091 0.817981 Co\n0.345883 0.965909 0.317981 Co\n0.845883 0.034091 0.182019 Co\n0.845883 0.465909 0.182019 Co\n0.455831 0.032641 0.182034 Co\n0.154117 0.965909 0.817981 Co\n0.955831 0.532641 0.317966 Co\n0.345883 0.534091 0.317981 Co\n0.152995 0.250000 0.391301 Te\n0.652995 0.750000 0.108699 Te\n0.849292 0.502917 0.905012 Te\n0.347005 0.250000 0.891301 Te\n0.350409 0.750000 0.910161 Te\n0.149591 0.750000 0.410161 Te\n0.649591 0.250000 0.089839 Te\n0.650708 0.502917 0.405012 Te\n0.847005 0.750000 0.608699 Te\n0.349292 0.497083 0.594988 Te\n0.650708 0.997083 0.405012 Te\n0.849292 0.997083 0.905012 Te\n0.349292 0.002917 0.594988 Te\n0.150708 0.002917 0.094988 Te\n0.150708 0.497083 0.094988 Te\n0.850409 0.250000 0.589839 Te\n",
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{
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"structure_string": "In2 Ag3 Sb1 Se6\n1.0\n2.024538 -3.506603 0.000000\n2.024538 3.506603 0.000000\n0.000000 0.000000 19.859427\nIn Ag Sb Se\n2 3 1 6\ndirect\n0.666667 0.333333 0.333136 In\n0.333333 0.666667 0.666864 In\n0.666667 0.333333 0.830957 Ag\n0.333333 0.666667 0.169043 Ag\n0.000000 0.000000 0.500000 Ag\n0.000000 0.000000 0.000000 Sb\n0.333333 0.666667 0.914322 Se\n0.000000 0.000000 0.251499 Se\n0.666667 0.333333 0.587106 Se\n0.666667 0.333333 0.085678 Se\n0.333333 0.666667 0.412894 Se\n0.000000 0.000000 0.748501 Se\n",
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{
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{
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"structure_string": "Mg14 Cr1 Ni1\n1.0\n6.226905 -0.000000 0.000000\n-3.113452 5.392657 0.000000\n-0.000000 -0.000000 9.934670\nMg Cr Ni\n14 1 1\ndirect\n0.165148 0.832573 0.125000 Mg\n0.169326 0.834662 0.625000 Mg\n0.667427 0.334852 0.125000 Mg\n0.665338 0.330674 0.625000 Mg\n0.667427 0.832573 0.125000 Mg\n0.665338 0.834662 0.625000 Mg\n0.326333 0.173667 0.369180 Mg\n0.326333 0.173667 0.880820 Mg\n0.326333 0.652668 0.369180 Mg\n0.326333 0.652668 0.880820 Mg\n0.847332 0.173667 0.369180 Mg\n0.847332 0.173667 0.880820 Mg\n0.833333 0.666667 0.376524 Mg\n0.833333 0.666667 0.873476 Mg\n0.166667 0.333333 0.625000 Cr\n0.166667 0.333333 0.125000 Ni\n",
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}