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{
"id": "mp-1104104",
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"structure_string": "Be12 Fe1\n1.0\n-3.575387 3.575387 2.039115\n3.575387 -3.575387 2.039115\n3.575387 3.575387 -2.039115\nBe Fe\n12 1\ndirect\n0.000000 0.000000 0.500000 Be\n0.500000 0.500000 0.500000 Be\n0.500000 0.000000 0.000000 Be\n0.000000 0.500000 0.000000 Be\n0.000000 0.346025 0.346025 Be\n0.000000 0.653975 0.653975 Be\n0.653975 0.000000 0.653975 Be\n0.346025 0.000000 0.346025 Be\n0.500000 0.290342 0.790342 Be\n0.500000 0.709658 0.209658 Be\n0.709658 0.500000 0.209658 Be\n0.290342 0.500000 0.790342 Be\n0.000000 0.000000 0.000000 Fe\n",
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{
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{
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"created_at": "2022-09-04T14:42:26.061684Z",
"structure_string": "Ca12 Al14 O33\n1.0\n10.449521 0.000000 0.000000\n-3.422317 9.884604 0.000000\n-3.566569 -4.901450 8.535489\nCa Al O\n12 14 33\ndirect\n0.455531 0.746500 0.699140 Ca\n0.755828 0.611357 0.362053 Ca\n0.136343 0.391894 0.250933 Ca\n0.750596 0.134996 0.885749 Ca\n0.361537 0.107321 0.746559 Ca\n0.803534 0.746744 0.051926 Ca\n0.249104 0.884089 0.140555 Ca\n0.613744 0.862996 0.250727 Ca\n0.110568 0.246827 0.859075 Ca\n0.876743 0.644536 0.757456 Ca\n0.640802 0.251816 0.392251 Ca\n0.256214 0.365968 0.614645 Ca\n0.373944 0.248213 0.125959 Al\n0.125092 0.748539 0.375105 Al\n0.751094 0.874379 0.622939 Al\n0.460787 0.460511 0.964899 Al\n0.001829 0.037306 0.002032 Al\n0.001133 0.536025 0.001097 Al\n0.966178 0.963740 0.460957 Al\n0.624870 0.375068 0.751586 Al\n0.497985 0.996450 0.535314 Al\n0.248455 0.624543 0.874119 Al\n0.536937 0.499734 0.499852 Al\n0.038450 0.502414 0.503108 Al\n0.876848 0.126666 0.252075 Al\n0.500989 0.001736 0.038615 Al\n0.705874 0.681184 0.572361 O\n0.871556 0.498517 0.508084 O\n0.524255 0.401449 0.313955 O\n0.361095 0.485337 0.484224 O\n0.094098 0.581073 0.392891 O\n0.984397 0.795036 0.399168 O\n0.595390 0.907453 0.617390 O\n0.310621 0.914667 0.515610 O\n0.913650 0.121551 0.098763 O\n0.380228 0.287947 0.977080 O\n0.508264 0.011629 0.878657 O\n0.185857 0.210217 0.092946 O\n0.108786 0.701434 0.190311 O\n0.796883 0.896856 0.482022 O\n0.996821 0.364171 0.991331 O\n0.909250 0.018531 0.813101 O\n0.476929 0.374507 0.796114 O\n0.814227 0.520250 0.908674 O\n0.596088 0.185709 0.705921 O\n0.015567 0.877552 0.005718 O\n0.621451 0.626063 0.135901 O\n0.090363 0.613612 0.904172 O\n0.882705 0.975562 0.287824 O\n0.289467 0.476553 0.885167 O\n0.404778 0.814293 0.020382 O\n0.613095 0.404341 0.592616 O\n0.131046 0.133762 0.627605 O\n0.504642 0.999294 0.371316 O\n0.213319 0.592568 0.686836 O\n0.640391 0.721154 0.840343 O\n0.021701 0.313435 0.412032 O\n0.687419 0.094713 0.210883 O\n0.405492 0.091113 0.115813 O\n",
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"spacegroup": 1
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{
"id": "mp-775302",
"created_at": "2022-09-04T14:46:36.697026Z",
"structure_string": "Li8 Cr4 Si24 O60\n1.0\n7.089658 -8.465575 0.000000\n7.089658 8.465575 0.000000\n0.000000 0.000000 10.049829\nLi Cr Si O\n8 4 24 60\ndirect\n0.486766 0.013234 0.750000 Li\n0.241362 0.241362 0.000000 Li\n0.258638 0.258638 0.500000 Li\n0.986766 0.513234 0.750000 Li\n0.013234 0.486766 0.250000 Li\n0.741362 0.741362 0.500000 Li\n0.758638 0.758638 0.000000 Li\n0.513234 0.986766 0.250000 Li\n0.339120 0.160880 0.250000 Cr\n0.160880 0.339120 0.750000 Cr\n0.839120 0.660880 0.250000 Cr\n0.660880 0.839120 0.750000 Cr\n0.759417 0.020765 0.489875 Si\n0.705406 0.075232 0.954641 Si\n0.183274 0.043769 0.801732 Si\n0.979235 0.240583 0.489875 Si\n0.575232 0.205406 0.454641 Si\n0.924768 0.294594 0.954641 Si\n0.520765 0.259417 0.989875 Si\n0.043769 0.183274 0.198268 Si\n0.456231 0.316726 0.698268 Si\n0.794594 0.424768 0.454641 Si\n0.740583 0.479235 0.989875 Si\n0.316726 0.456231 0.301732 Si\n0.683274 0.543769 0.698268 Si\n0.259417 0.520765 0.010125 Si\n0.205406 0.575232 0.545359 Si\n0.543769 0.683274 0.301732 Si\n0.956231 0.816726 0.801732 Si\n0.479235 0.740583 0.010125 Si\n0.075232 0.705406 0.045359 Si\n0.424768 0.794594 0.545359 Si\n0.020765 0.759417 0.510125 Si\n0.816726 0.956231 0.198268 Si\n0.294594 0.924768 0.045359 Si\n0.240583 0.979235 0.510125 Si\n0.941940 0.058060 0.198556 O\n0.647438 0.000194 0.824665 O\n0.896837 0.103163 0.503405 O\n0.275076 0.015452 0.921615 O\n0.261392 0.030789 0.664643 O\n0.655148 0.105969 0.514759 O\n0.834359 0.165641 0.918373 O\n0.605969 0.155148 0.014759 O\n0.256667 0.095756 0.411097 O\n0.500194 0.147438 0.324665 O\n0.180370 0.157333 0.168319 O\n0.484548 0.224924 0.578385 O\n0.157333 0.180370 0.831681 O\n0.469211 0.238608 0.835357 O\n0.999806 0.352562 0.824665 O\n0.404244 0.243333 0.088903 O\n0.894031 0.344852 0.514759 O\n0.665641 0.334359 0.418373 O\n0.844852 0.394031 0.014759 O\n0.095756 0.256667 0.588903 O\n0.030789 0.261392 0.335357 O\n0.342667 0.319630 0.331681 O\n0.015452 0.275076 0.078385 O\n0.603163 0.396837 0.003405 O\n0.319630 0.342667 0.668319 O\n0.852562 0.499806 0.324665 O\n0.558060 0.441940 0.698556 O\n0.243333 0.404244 0.911097 O\n0.775076 0.515452 0.578385 O\n0.761392 0.530789 0.835357 O\n0.238608 0.469211 0.164643 O\n0.224924 0.484548 0.421615 O\n0.756667 0.595756 0.088903 O\n0.441940 0.558060 0.301444 O\n0.147438 0.500194 0.675335 O\n0.680370 0.657333 0.331681 O\n0.396837 0.603163 0.996595 O\n0.984548 0.724924 0.921615 O\n0.657333 0.680370 0.668319 O\n0.969211 0.738608 0.664643 O\n0.904244 0.743333 0.411097 O\n0.155148 0.605969 0.985241 O\n0.334359 0.665641 0.581627 O\n0.105969 0.655148 0.485241 O\n0.595756 0.756667 0.911097 O\n0.000194 0.647438 0.175335 O\n0.530789 0.761392 0.164643 O\n0.842667 0.819630 0.168319 O\n0.515452 0.775076 0.421615 O\n0.819630 0.842667 0.831681 O\n0.499806 0.852562 0.675335 O\n0.743333 0.904244 0.588903 O\n0.394031 0.844852 0.985241 O\n0.165641 0.834359 0.081627 O\n0.344852 0.894031 0.485241 O\n0.738608 0.969211 0.335357 O\n0.724924 0.984548 0.078385 O\n0.103163 0.896837 0.496595 O\n0.352562 0.999806 0.175335 O\n0.058060 0.941940 0.801444 O\n",
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{
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"structure_string": "K2 Li1 H2 Se2 O6\n1.0\n5.025437 -0.299693 -1.440314\n-1.234981 6.630866 -2.430200\n0.073351 -0.687387 6.848659\nK Li H Se O\n2 1 2 2 6\ndirect\n0.346738 0.629066 0.193411 K\n0.652497 0.281820 0.779407 K\n0.533161 0.764784 0.833390 Li\n0.220681 0.140989 0.032963 H\n0.910291 0.772127 0.054735 H\n0.934393 0.218851 0.320505 Se\n0.017059 0.851796 0.649956 Se\n0.191613 0.138615 0.879521 O\n0.733173 0.700376 0.044891 O\n0.903997 0.426867 0.265014 O\n0.148943 0.728906 0.797311 O\n0.244578 0.170898 0.301444 O\n0.687874 0.841573 0.643747 O\n",
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{
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"structure_string": "Al12 B10 O36\n1.0\n4.626519 -8.013366 0.000000\n4.626519 8.013366 0.000000\n0.000000 0.000000 8.640654\nAl B O\n12 10 36\ndirect\n0.656237 0.639881 0.455021 Al\n0.983644 0.343763 0.455021 Al\n0.360119 0.016356 0.455021 Al\n0.343763 0.360119 0.955021 Al\n0.016356 0.656237 0.955021 Al\n0.639881 0.983644 0.955021 Al\n0.343763 0.360119 0.544979 Al\n0.016356 0.656237 0.544979 Al\n0.639881 0.983644 0.544979 Al\n0.656237 0.639881 0.044979 Al\n0.983644 0.343763 0.044979 Al\n0.360119 0.016356 0.044979 Al\n0.154412 0.873383 0.750000 B\n0.718971 0.845588 0.750000 B\n0.126617 0.281029 0.750000 B\n0.845588 0.126617 0.250000 B\n0.281029 0.154412 0.250000 B\n0.873383 0.718971 0.250000 B\n0.333333 0.666667 0.455676 B\n0.666667 0.333333 0.955676 B\n0.666667 0.333333 0.544324 B\n0.333333 0.666667 0.044324 B\n0.680257 0.661174 0.250000 O\n0.980917 0.319743 0.250000 O\n0.338826 0.019083 0.250000 O\n0.319743 0.338826 0.750000 O\n0.019083 0.680257 0.750000 O\n0.661174 0.980917 0.750000 O\n0.870982 0.670446 0.420048 O\n0.799464 0.129018 0.420048 O\n0.329554 0.200536 0.420048 O\n0.129018 0.329554 0.920048 O\n0.200536 0.870982 0.920048 O\n0.670446 0.799464 0.920048 O\n0.129018 0.329554 0.579952 O\n0.200536 0.870982 0.579952 O\n0.670446 0.799464 0.579952 O\n0.870982 0.670446 0.079952 O\n0.799464 0.129018 0.079952 O\n0.329554 0.200536 0.079952 O\n0.591020 0.433427 0.544916 O\n0.842407 0.408980 0.544916 O\n0.566573 0.157593 0.544916 O\n0.408980 0.566573 0.044916 O\n0.157593 0.591020 0.044916 O\n0.433427 0.842407 0.044916 O\n0.408980 0.566573 0.455084 O\n0.157593 0.591020 0.455084 O\n0.433427 0.842407 0.455084 O\n0.591020 0.433427 0.955084 O\n0.842407 0.408980 0.955084 O\n0.566573 0.157593 0.955084 O\n0.175818 0.030103 0.750000 O\n0.854285 0.824182 0.750000 O\n0.969897 0.145715 0.750000 O\n0.824182 0.969897 0.250000 O\n0.145715 0.175818 0.250000 O\n0.030103 0.854285 0.250000 O\n",
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{
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"structure_string": "Mo4 Cl12 O4\n1.0\n14.274816 0.000000 0.000000\n0.000000 6.222478 0.000000\n0.000000 0.251287 6.249109\nMo Cl O\n4 12 4\ndirect\n0.664707 0.303405 0.968833 Mo\n0.164707 0.196595 0.031167 Mo\n0.335293 0.696595 0.031167 Mo\n0.835293 0.803405 0.968833 Mo\n0.928449 0.647198 0.715969 Cl\n0.428449 0.852802 0.284031 Cl\n0.071551 0.352802 0.284031 Cl\n0.571551 0.147198 0.715969 Cl\n0.687508 0.611340 0.735848 Cl\n0.187508 0.888660 0.264152 Cl\n0.312492 0.388660 0.264152 Cl\n0.812492 0.111340 0.735848 Cl\n0.806113 0.446306 0.158834 Cl\n0.306113 0.053694 0.841166 Cl\n0.193887 0.553694 0.841166 Cl\n0.693887 0.946306 0.158834 Cl\n0.585963 0.384110 0.150433 O\n0.085963 0.115890 0.849567 O\n0.414037 0.615890 0.849567 O\n0.914037 0.884110 0.150433 O\n",
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