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{
"id": "mp-706301",
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"structure_string": "H16 Cl16 O64\n1.0\n8.858129 0.000000 0.000000\n0.000000 9.158744 0.000000\n0.000000 0.000000 16.189140\nH Cl O\n16 16 64\ndirect\n0.869722 0.239086 0.987310 H\n0.369722 0.760914 0.012690 H\n0.369722 0.260914 0.987310 H\n0.869722 0.739086 0.012690 H\n0.668057 0.517990 0.235279 H\n0.168057 0.482010 0.764721 H\n0.168057 0.982010 0.235279 H\n0.668057 0.017990 0.764721 H\n0.174439 0.480266 0.268094 H\n0.674439 0.519734 0.731906 H\n0.674439 0.019734 0.268094 H\n0.174439 0.980266 0.731906 H\n0.109331 0.265549 0.499588 H\n0.609331 0.734451 0.500412 H\n0.609331 0.234451 0.499588 H\n0.109331 0.765549 0.500412 H\n0.747220 0.040359 0.009814 Cl\n0.247220 0.959641 0.990186 Cl\n0.247220 0.459641 0.009814 Cl\n0.747220 0.540359 0.990186 Cl\n0.538503 0.715740 0.249597 Cl\n0.038503 0.284260 0.750403 Cl\n0.038503 0.784260 0.249597 Cl\n0.538503 0.215740 0.750403 Cl\n0.026931 0.295861 0.250793 Cl\n0.526931 0.704139 0.749207 Cl\n0.526931 0.204139 0.250793 Cl\n0.026931 0.795861 0.749207 Cl\n0.248417 0.458222 0.510244 Cl\n0.748417 0.541778 0.489756 Cl\n0.748417 0.041778 0.510244 Cl\n0.248417 0.958222 0.489756 Cl\n0.896507 0.147361 0.017323 O\n0.396507 0.852639 0.982677 O\n0.396507 0.352639 0.017323 O\n0.896507 0.647361 0.982677 O\n0.731523 0.005988 0.924058 O\n0.231523 0.994012 0.075942 O\n0.231523 0.494012 0.924058 O\n0.731523 0.505988 0.075942 O\n0.624092 0.120134 0.044397 O\n0.124092 0.879866 0.955603 O\n0.124092 0.379866 0.044397 O\n0.624092 0.620134 0.955603 O\n0.793733 0.918178 0.059599 O\n0.293733 0.081822 0.940401 O\n0.293733 0.581822 0.059599 O\n0.793733 0.418178 0.940401 O\n0.692086 0.614305 0.260341 O\n0.192086 0.385695 0.739659 O\n0.192086 0.885695 0.260341 O\n0.692086 0.114305 0.739659 O\n0.530294 0.755454 0.164141 O\n0.030294 0.244546 0.835859 O\n0.030294 0.744546 0.164141 O\n0.530294 0.255454 0.835859 O\n0.574067 0.835559 0.303163 O\n0.074067 0.164441 0.696837 O\n0.074067 0.664441 0.303163 O\n0.574067 0.335559 0.696837 O\n0.416069 0.627603 0.277868 O\n0.916069 0.372397 0.722132 O\n0.916069 0.872397 0.277868 O\n0.416069 0.127603 0.722132 O\n0.190558 0.382478 0.242949 O\n0.690558 0.617522 0.757051 O\n0.690558 0.117522 0.242949 O\n0.190558 0.882478 0.757051 O\n0.060088 0.164282 0.206666 O\n0.560088 0.835718 0.793334 O\n0.560088 0.335718 0.206666 O\n0.060088 0.664282 0.793334 O\n0.999834 0.275734 0.337224 O\n0.499834 0.724266 0.662776 O\n0.499834 0.224266 0.337224 O\n0.999834 0.775734 0.662776 O\n0.918028 0.386223 0.210349 O\n0.418028 0.613777 0.789651 O\n0.418028 0.113777 0.210349 O\n0.918028 0.886223 0.789651 O\n0.092613 0.362110 0.526095 O\n0.592613 0.637890 0.473905 O\n0.592613 0.137890 0.526095 O\n0.092613 0.862110 0.473905 O\n0.264978 0.472423 0.422760 O\n0.764978 0.527577 0.577240 O\n0.764978 0.027577 0.422760 O\n0.264978 0.972423 0.577240 O\n0.368335 0.380022 0.549437 O\n0.868335 0.619978 0.450563 O\n0.868335 0.119978 0.549437 O\n0.368335 0.880022 0.450563 O\n0.208966 0.591351 0.551806 O\n0.708966 0.408649 0.448194 O\n0.708966 0.908649 0.551806 O\n0.208966 0.091351 0.448194 O\n",
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"elements": [
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],
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"density": 2.032142893655758,
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"volume": 1313.4141758584976,
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"formula_full": "H16 Cl16 O64",
"formula_reduced": "HClO4",
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"updated_at": "2021-11-28T01:39:22.246000Z",
"spacegroup": 29
},
{
"id": "mp-1232424",
"created_at": "2022-09-04T14:48:27.616015Z",
"structure_string": "Pm1 Gd1 Mg2\n1.0\n0.000000 3.865525 3.865525\n3.865525 0.000000 3.865525\n3.865525 3.865525 0.000000\nPm Gd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Gd\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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"density": 5.043447468780661,
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"formula_full": "Pm1 Gd1 Mg2",
"formula_reduced": "PmGdMg2",
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"updated_at": "2021-11-28T01:39:44.197000Z",
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},
{
"id": "mp-1224843",
"created_at": "2022-09-04T14:48:27.616911Z",
"structure_string": "Ga1 Mo4 Se4 S4\n1.0\n0.000000 5.086162 5.086162\n5.086162 0.000000 5.086162\n5.086162 5.086162 0.000000\nGa Mo Se S\n1 4 4 4\ndirect\n0.000000 0.000000 0.000000 Ga\n0.401269 0.401269 0.796192 Mo\n0.401269 0.796192 0.401269 Mo\n0.796192 0.401269 0.401269 Mo\n0.401269 0.401269 0.401269 Mo\n0.136879 0.136879 0.589364 Se\n0.136879 0.589364 0.136879 Se\n0.589364 0.136879 0.136879 Se\n0.136879 0.136879 0.136879 Se\n0.629622 0.629622 0.111133 S\n0.629622 0.111133 0.629622 S\n0.111133 0.629622 0.629622 S\n0.629622 0.629622 0.629622 S\n",
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"volume": 263.14829602178236,
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"formula_full": "Ga1 Mo4 Se4 S4",
"formula_reduced": "GaMo4(SeS)4",
"formula_anonymous": "AB4C4D4",
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"spacegroup": 216
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{
"id": "mp-779329",
"created_at": "2022-09-04T14:48:27.617592Z",
"structure_string": "Mn8 O13 F3\n1.0\n5.005235 0.000000 0.000000\n0.030778 5.536506 0.000000\n0.078025 0.118138 9.016266\nMn O F\n8 13 3\ndirect\n0.749434 0.170949 0.005249 Mn\n0.265194 0.860188 0.005499 Mn\n0.262919 0.355879 0.247279 Mn\n0.747104 0.664982 0.247495 Mn\n0.247620 0.850812 0.499315 Mn\n0.746880 0.116433 0.499437 Mn\n0.233253 0.353848 0.755420 Mn\n0.746249 0.652593 0.746418 Mn\n0.084967 0.119089 0.116609 O\n0.585696 0.897113 0.111168 O\n0.588152 0.397694 0.137475 O\n0.083679 0.617438 0.136879 O\n0.424338 0.610760 0.367669 O\n0.424441 0.105438 0.383212 O\n0.924863 0.885587 0.385294 O\n0.068149 0.101430 0.616549 O\n0.569748 0.881006 0.613190 O\n0.075043 0.605102 0.629235 O\n0.912250 0.393132 0.863811 O\n0.416132 0.613436 0.862403 O\n0.424756 0.117251 0.884783 O\n0.917850 0.372703 0.374080 F\n0.567460 0.360848 0.624942 F\n0.933822 0.896288 0.886589 F\n",
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{
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"created_at": "2022-09-04T14:48:27.632619Z",
"structure_string": "Zn2 Co4 P8 O28\n1.0\n8.310375 0.000000 0.000000\n0.000000 7.032872 0.000000\n0.000000 3.793887 8.232953\nZn Co P O\n2 4 8 28\ndirect\n0.695635 0.300813 0.331097 Zn\n0.304365 0.300813 0.831097 Zn\n0.324461 0.247073 0.372056 Co\n0.157870 0.778488 0.611092 Co\n0.842130 0.778488 0.111092 Co\n0.675539 0.247073 0.872056 Co\n0.982207 0.063256 0.759234 P\n0.480509 0.532237 0.032907 P\n0.017793 0.063256 0.259234 P\n0.519491 0.532237 0.532907 P\n0.482234 0.944648 0.737055 P\n0.991717 0.462254 0.465683 P\n0.008283 0.462254 0.965683 P\n0.517766 0.944648 0.237055 P\n0.417914 0.743933 0.896323 O\n0.865873 0.117889 0.321197 O\n0.134127 0.117889 0.821197 O\n0.641294 0.560445 0.104525 O\n0.088160 0.257613 0.105994 O\n0.334963 0.985484 0.617709 O\n0.852917 0.396782 0.913983 O\n0.343955 0.465020 0.159503 O\n0.506927 0.373270 0.453948 O\n0.160569 0.014900 0.381356 O\n0.665037 0.985484 0.117709 O\n0.997385 0.889825 0.200833 O\n0.514206 0.117143 0.304485 O\n0.582086 0.743933 0.396323 O\n0.839431 0.014900 0.881356 O\n0.364065 0.905314 0.173682 O\n0.485794 0.117143 0.804485 O\n0.147855 0.523472 0.840983 O\n0.493073 0.373270 0.953948 O\n0.982678 0.622678 0.035157 O\n0.147083 0.396782 0.413983 O\n0.656045 0.465020 0.659503 O\n0.852145 0.523472 0.340983 O\n0.635935 0.905314 0.673682 O\n0.002615 0.889825 0.700833 O\n0.358706 0.560445 0.604525 O\n0.017322 0.622678 0.535157 O\n0.911840 0.257613 0.605994 O\n",
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{
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"structure_string": "Pr2 N6 O30\n1.0\n-7.073051 0.000000 0.000000\n3.209277 8.233081 0.000000\n-0.307987 -4.380008 -10.845705\nPr N O\n2 6 30\ndirect\n0.995668 0.844847 0.288358 Pr\n0.004332 0.155153 0.711642 Pr\n0.264553 0.177760 0.164255 N\n0.735447 0.822240 0.835745 N\n0.264043 0.818027 0.519169 N\n0.735957 0.181973 0.480831 N\n0.076012 0.420394 0.819090 N\n0.923988 0.579606 0.180910 N\n0.391927 0.311593 0.119451 O\n0.608073 0.688407 0.880549 O\n0.258352 0.030497 0.157444 O\n0.741648 0.969503 0.842556 O\n0.124425 0.164844 0.222769 O\n0.875575 0.835156 0.777231 O\n0.246472 0.734111 0.445298 O\n0.753528 0.265889 0.554702 O\n0.128859 0.896648 0.492827 O\n0.871141 0.103352 0.507173 O\n0.399900 0.821114 0.604621 O\n0.600100 0.178886 0.395379 O\n0.067285 0.454308 0.700853 O\n0.932715 0.545692 0.299147 O\n0.079953 0.525797 0.861960 O\n0.920047 0.474203 0.138040 O\n0.075144 0.263152 0.886695 O\n0.924856 0.736848 0.113305 O\n0.699570 0.108091 0.058187 O\n0.300430 0.891909 0.941813 O\n0.592649 0.865526 0.285805 O\n0.407351 0.134474 0.714195 O\n0.701832 0.619879 0.543705 O\n0.298168 0.380121 0.456295 O\n0.433157 0.260690 0.746801 O\n0.566843 0.739310 0.253199 O\n0.664888 0.244830 0.993746 O\n0.335112 0.755170 0.006254 O\n0.651906 0.574379 0.646730 O\n0.348094 0.425621 0.353270 O\n",
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{
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"structure_string": "Al2 V8 N6\n1.0\n1.468151 -2.542912 0.000000\n1.468151 2.542912 0.000000\n0.000000 0.000000 22.415070\nAl V N\n2 8 6\ndirect\n0.333333 0.666667 0.250000 Al\n0.666667 0.333333 0.750000 Al\n0.333333 0.666667 0.444384 V\n0.666667 0.333333 0.555616 V\n0.666667 0.333333 0.944384 V\n0.333333 0.666667 0.055616 V\n0.000000 0.000000 0.348653 V\n0.000000 0.000000 0.651347 V\n0.000000 0.000000 0.848653 V\n0.000000 0.000000 0.151347 V\n0.000000 0.000000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.666667 0.333333 0.392405 N\n0.333333 0.666667 0.607595 N\n0.333333 0.666667 0.892405 N\n0.666667 0.333333 0.107595 N\n",
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{
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},
{
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"structure_string": "Zr1 Ti1 Pb2 O6\n1.0\n4.165606 0.000000 0.000000\n0.092809 4.229387 0.000000\n0.064696 0.112092 8.110013\nZr Ti Pb O\n1 1 2 6\ndirect\n0.536046 0.539006 0.266029 Zr\n0.509631 0.515532 0.766427 Ti\n0.991788 0.983881 0.985085 Pb\n0.987835 0.981961 0.509067 Pb\n0.047361 0.586522 0.286671 O\n0.066709 0.581496 0.777792 O\n0.570660 0.591571 0.010628 O\n0.568634 0.587099 0.537518 O\n0.565849 0.059451 0.286372 O\n0.562887 0.086082 0.778110 O\n",
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"formula_full": "Zr1 Ti1 Pb2 O6",
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},
{
"id": "mp-1174326",
"created_at": "2022-09-04T14:48:27.671202Z",
"structure_string": "Li8 Mn6 O14\n1.0\n2.992821 0.000000 0.000000\n0.145863 8.183370 0.000000\n0.764952 2.068332 10.505479\nLi Mn O\n8 6 14\ndirect\n0.718902 0.856248 0.568362 Li\n0.422234 0.700288 0.142001 Li\n0.131965 0.568363 0.723488 Li\n0.281098 0.143752 0.431638 Li\n0.000000 0.000000 0.000000 Li\n0.868035 0.431637 0.276512 Li\n0.577766 0.299712 0.857999 Li\n0.000000 0.500000 0.000000 Li\n0.564419 0.774841 0.861999 Mn\n0.435581 0.225159 0.138001 Mn\n0.286339 0.642587 0.427346 Mn\n0.713661 0.357413 0.572654 Mn\n0.133753 0.069945 0.718364 Mn\n0.866247 0.930055 0.281636 Mn\n0.111438 0.825235 0.731156 O\n0.887895 0.688110 0.287212 O\n0.580338 0.554318 0.853873 O\n0.741355 0.113805 0.575710 O\n0.461470 0.975442 0.147647 O\n0.316798 0.399960 0.434321 O\n0.967894 0.245386 0.019177 O\n0.258645 0.886195 0.424290 O\n0.032106 0.754614 0.980823 O\n0.683202 0.600040 0.565679 O\n0.888562 0.174765 0.268844 O\n0.538530 0.024558 0.852353 O\n0.419662 0.445682 0.146127 O\n0.112105 0.311890 0.712788 O\n",
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"formula_full": "Li8 Mn6 O14",
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{
"id": "mp-26851",
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"structure_string": "Li8 Cu4 P4 O16\n1.0\n6.203594 0.000000 0.000000\n0.000000 5.132195 0.000000\n0.000000 0.121174 10.858379\nLi Cu P O\n8 4 4 16\ndirect\n0.252873 0.203661 0.338561 Li\n0.747127 0.203661 0.338561 Li\n0.000000 0.804410 0.427371 Li\n0.751305 0.802337 0.658138 Li\n0.000000 0.695569 0.923336 Li\n0.743937 0.303207 0.837633 Li\n0.256063 0.303207 0.837633 Li\n0.248695 0.802337 0.658138 Li\n0.500000 0.225201 0.119455 Cu\n0.696585 0.749177 0.168292 Cu\n0.303415 0.749177 0.168292 Cu\n0.500000 0.248222 0.607030 Cu\n0.500000 0.796368 0.893680 P\n0.000000 0.310723 0.585000 P\n0.500000 0.691330 0.414493 P\n0.000000 0.189962 0.083402 P\n0.199074 0.284053 0.159718 O\n0.800926 0.284053 0.159718 O\n0.000000 0.885922 0.078337 O\n0.199738 0.202470 0.657950 O\n0.000000 0.306318 0.951232 O\n0.291241 0.806053 0.351302 O\n0.707928 0.697399 0.828319 O\n0.292072 0.697399 0.828319 O\n0.500000 0.098307 0.898513 O\n0.800262 0.202470 0.657950 O\n0.000000 0.613346 0.585590 O\n0.500000 0.770045 0.551371 O\n0.000000 0.206840 0.451633 O\n0.500000 0.389572 0.404116 O\n0.708759 0.806053 0.351302 O\n0.500000 0.671150 0.025615 O\n",
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],
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"formula_full": "Li8 Cu4 P4 O16",
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{
"id": "mp-1181127",
"created_at": "2022-09-04T14:48:27.684910Z",
"structure_string": "Li2 Ga3 Te6 H12 O24\n1.0\n9.081353 -4.694651 0.000000\n9.081353 4.694651 0.000000\n6.654429 0.000000 7.760753\nLi Ga Te H O\n2 3 6 12 24\ndirect\n0.304236 0.304236 0.304236 Li\n0.695764 0.695764 0.695764 Li\n0.192838 0.192838 0.192838 Ga\n0.807162 0.807162 0.807162 Ga\n0.000000 0.000000 0.000000 Ga\n0.078133 0.608145 0.019048 Te\n0.608145 0.019048 0.078133 Te\n0.019048 0.078133 0.608145 Te\n0.921867 0.391855 0.980952 Te\n0.391855 0.980952 0.921867 Te\n0.980952 0.921867 0.391855 Te\n0.158793 0.439432 0.514858 H\n0.439432 0.514858 0.158793 H\n0.514858 0.158793 0.439432 H\n0.841207 0.560568 0.485142 H\n0.560568 0.485142 0.841207 H\n0.485142 0.841207 0.560568 H\n0.125877 0.274391 0.666772 H\n0.274391 0.666772 0.125877 H\n0.666772 0.125877 0.274391 H\n0.874123 0.725609 0.333228 H\n0.725609 0.333228 0.874123 H\n0.333228 0.874123 0.725609 H\n0.074838 0.415214 0.229522 O\n0.415214 0.229522 0.074838 O\n0.229522 0.074838 0.415214 O\n0.925162 0.584786 0.770478 O\n0.584786 0.770478 0.925162 O\n0.770478 0.925162 0.584786 O\n0.861138 0.664371 0.023423 O\n0.664371 0.023423 0.861138 O\n0.023423 0.861138 0.664371 O\n0.138862 0.335629 0.976577 O\n0.335629 0.976577 0.138862 O\n0.976577 0.138862 0.335629 O\n0.983822 0.769589 0.117848 O\n0.769589 0.117848 0.983822 O\n0.117848 0.983822 0.769589 O\n0.016178 0.230411 0.882152 O\n0.230411 0.882152 0.016178 O\n0.882152 0.016178 0.230411 O\n0.185249 0.321550 0.539248 O\n0.321550 0.539248 0.185249 O\n0.539248 0.185249 0.321550 O\n0.814751 0.678450 0.460752 O\n0.678450 0.460752 0.814751 O\n0.460752 0.814751 0.678450 O\n",
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"formula_full": "Li2 Ga3 Te6 H12 O24",
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}
]
}