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{
"id": "mp-1200286",
"created_at": "2022-09-04T14:41:10.432990Z",
"structure_string": "Mn4 Te4 H72 S12 N24\n1.0\n7.543387 0.000000 0.000000\n0.000000 11.112343 0.000000\n-0.960459 0.000000 17.616528\nMn Te H S N\n4 4 72 12 24\ndirect\n0.681716 0.265103 0.609485 Mn\n0.318284 0.765103 0.890515 Mn\n0.318284 0.734897 0.390515 Mn\n0.681716 0.234897 0.109485 Mn\n0.830431 0.769820 0.653720 Te\n0.169569 0.269820 0.846280 Te\n0.169569 0.230180 0.346280 Te\n0.830431 0.730180 0.153720 Te\n0.968110 0.424982 0.600808 H\n0.031890 0.924982 0.899192 H\n0.031890 0.575018 0.399192 H\n0.968110 0.075018 0.100808 H\n0.911688 0.431423 0.688863 H\n0.088312 0.931423 0.811137 H\n0.088312 0.568577 0.311137 H\n0.911688 0.068577 0.188863 H\n0.032320 0.315468 0.661020 H\n0.967680 0.815468 0.838980 H\n0.967680 0.684532 0.338980 H\n0.032320 0.184532 0.161020 H\n0.566289 0.336252 0.460997 H\n0.433711 0.836252 0.039003 H\n0.433711 0.663748 0.539003 H\n0.566289 0.163748 0.960997 H\n0.668620 0.452363 0.506320 H\n0.331380 0.952363 0.993680 H\n0.331380 0.547637 0.493680 H\n0.668620 0.047637 0.006320 H\n0.786994 0.346196 0.468531 H\n0.213006 0.846196 0.031469 H\n0.213006 0.653804 0.531469 H\n0.786994 0.153804 0.968531 H\n0.454903 0.381714 0.707675 H\n0.545097 0.881714 0.792325 H\n0.545097 0.618286 0.292325 H\n0.454903 0.118286 0.207675 H\n0.580491 0.485776 0.672427 H\n0.419509 0.985776 0.827573 H\n0.419509 0.514224 0.327573 H\n0.580491 0.014224 0.172427 H\n0.405487 0.434280 0.621023 H\n0.594513 0.934280 0.878977 H\n0.594513 0.565720 0.378977 H\n0.405487 0.065720 0.121023 H\n0.651518 0.076532 0.710798 H\n0.348482 0.576532 0.789202 H\n0.348482 0.923468 0.289202 H\n0.651518 0.423468 0.210798 H\n0.822067 0.158744 0.743353 H\n0.177933 0.658744 0.756647 H\n0.177933 0.841256 0.256647 H\n0.822067 0.341256 0.243353 H\n0.615073 0.200520 0.760137 H\n0.384927 0.700520 0.739863 H\n0.384927 0.799480 0.239863 H\n0.615073 0.299480 0.260137 H\n0.348673 0.161684 0.616271 H\n0.651327 0.661684 0.883729 H\n0.651327 0.838316 0.383729 H\n0.348673 0.338316 0.116271 H\n0.378410 0.178169 0.524188 H\n0.621590 0.678169 0.975812 H\n0.621590 0.821831 0.475812 H\n0.378410 0.321831 0.024188 H\n0.471815 0.063227 0.573568 H\n0.528185 0.563227 0.926432 H\n0.528185 0.936773 0.426432 H\n0.471815 0.436773 0.073568 H\n0.807737 0.054453 0.536158 H\n0.192263 0.554453 0.963842 H\n0.192263 0.945547 0.463842 H\n0.807737 0.445547 0.036158 H\n0.951773 0.166104 0.524170 H\n0.048227 0.666104 0.975830 H\n0.048227 0.833896 0.475830 H\n0.951773 0.333896 0.024170 H\n0.952514 0.092439 0.605832 H\n0.047486 0.592439 0.894168 H\n0.047486 0.907561 0.394168 H\n0.952514 0.407561 0.105832 H\n0.818590 0.627392 0.754020 S\n0.181410 0.127392 0.745980 S\n0.181410 0.372608 0.245980 S\n0.818590 0.872608 0.254020 S\n0.856371 0.658825 0.540396 S\n0.143629 0.158825 0.959604 S\n0.143629 0.341175 0.459604 S\n0.856371 0.841175 0.040396 S\n0.543744 0.856377 0.643534 S\n0.456256 0.356377 0.856466 S\n0.456256 0.143623 0.356466 S\n0.543744 0.643623 0.143534 S\n0.930061 0.372505 0.644881 N\n0.069939 0.872505 0.855119 N\n0.069939 0.627495 0.355119 N\n0.930061 0.127495 0.144881 N\n0.672422 0.361509 0.496208 N\n0.327578 0.861509 0.003792 N\n0.327578 0.638491 0.503792 N\n0.672422 0.138491 0.996208 N\n0.508005 0.409748 0.658164 N\n0.491995 0.909748 0.841836 N\n0.491995 0.590252 0.341836 N\n0.508005 0.090252 0.158164 N\n0.693956 0.163265 0.720549 N\n0.306044 0.663265 0.779451 N\n0.306044 0.836735 0.279451 N\n0.693956 0.336735 0.220549 N\n0.439390 0.152921 0.575196 N\n0.560610 0.652921 0.924804 N\n0.560610 0.847079 0.424804 N\n0.439390 0.347079 0.075196 N\n0.871722 0.125557 0.562170 N\n0.128278 0.625557 0.937830 N\n0.128278 0.874443 0.437830 N\n0.871722 0.374443 0.062170 N\n",
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"formula_full": "Mn4 Te4 H72 S12 N24",
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{
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"structure_string": "Li8 V8 F40\n1.0\n5.729765 0.000000 0.000000\n0.000000 7.709168 0.000000\n0.000000 0.000000 16.813615\nLi V F\n8 8 40\ndirect\n0.250000 0.815584 0.416269 Li\n0.250000 0.315584 0.083731 Li\n0.250000 0.279955 0.569364 Li\n0.250000 0.779955 0.930636 Li\n0.750000 0.720045 0.430636 Li\n0.750000 0.220045 0.069364 Li\n0.750000 0.684416 0.916269 Li\n0.750000 0.184416 0.583731 Li\n0.250000 0.942428 0.142187 V\n0.250000 0.442428 0.357813 V\n0.250000 0.887880 0.623886 V\n0.250000 0.387880 0.876114 V\n0.750000 0.612120 0.123886 V\n0.750000 0.557572 0.642187 V\n0.750000 0.057572 0.857813 V\n0.750000 0.112120 0.376114 V\n0.498938 0.729048 0.660221 F\n0.498938 0.229048 0.839779 F\n0.472624 0.616379 0.381520 F\n0.472624 0.116379 0.118480 F\n0.471228 0.047191 0.583893 F\n0.471228 0.547191 0.916107 F\n0.250000 0.477508 0.253805 F\n0.250000 0.982484 0.719654 F\n0.250000 0.977508 0.246195 F\n0.250000 0.866798 0.038148 F\n0.250000 0.366798 0.461852 F\n0.250000 0.482484 0.780346 F\n0.250000 0.763342 0.530456 F\n0.250000 0.263342 0.969544 F\n0.028772 0.547191 0.916107 F\n0.028772 0.047191 0.583893 F\n0.027376 0.616379 0.381520 F\n0.027376 0.116379 0.118480 F\n0.001062 0.729048 0.660221 F\n0.001062 0.229048 0.839779 F\n0.998938 0.770952 0.160221 F\n0.998938 0.270952 0.339779 F\n0.972624 0.883621 0.881520 F\n0.972624 0.383621 0.618480 F\n0.971228 0.952809 0.416107 F\n0.971228 0.452809 0.083893 F\n0.750000 0.522492 0.746195 F\n0.750000 0.517516 0.219654 F\n0.750000 0.633202 0.538148 F\n0.750000 0.017516 0.280346 F\n0.750000 0.236658 0.469544 F\n0.750000 0.736658 0.030456 F\n0.750000 0.133202 0.961852 F\n0.750000 0.022492 0.753805 F\n0.528772 0.452809 0.083893 F\n0.528772 0.952809 0.416107 F\n0.527376 0.883621 0.881520 F\n0.527376 0.383621 0.618480 F\n0.501062 0.770952 0.160221 F\n0.501062 0.270952 0.339779 F\n",
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"updated_at": "2021-11-28T01:35:16.102000Z",
"spacegroup": 62
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{
"id": "mp-1047660",
"created_at": "2022-09-04T14:41:10.440966Z",
"structure_string": "Mn4 Zn2 O8\n1.0\n1.498509 -4.943104 0.000000\n1.498509 4.943104 0.000000\n0.000000 0.000000 9.734274\nMn Zn O\n4 2 8\ndirect\n0.132135 0.867865 0.070646 Mn\n0.867865 0.132135 0.929354 Mn\n0.132135 0.867865 0.429354 Mn\n0.867865 0.132135 0.570646 Mn\n0.610041 0.389959 0.750000 Zn\n0.389959 0.610041 0.250000 Zn\n0.777590 0.222410 0.388106 O\n0.222410 0.777590 0.611894 O\n0.222410 0.777590 0.888106 O\n0.777590 0.222410 0.111894 O\n0.039684 0.960316 0.250000 O\n0.960316 0.039684 0.750000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.500000 0.500000 O\n",
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{
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"structure_string": "Te2 Mo1 W3 Se4 S2\n1.0\n1.671227 -2.894650 0.000000\n1.671227 2.894650 0.000000\n0.000000 0.000000 38.733765\nTe Mo W Se S\n2 1 3 4 2\ndirect\n0.333333 0.666667 0.706784 Te\n0.333333 0.666667 0.608309 Te\n0.666667 0.333333 0.281762 Mo\n0.333333 0.666667 0.093935 W\n0.333333 0.666667 0.469619 W\n0.666667 0.333333 0.657559 W\n0.333333 0.666667 0.324840 Se\n0.666667 0.333333 0.426397 Se\n0.666667 0.333333 0.512892 Se\n0.333333 0.666667 0.238760 Se\n0.666667 0.333333 0.054672 S\n0.666667 0.333333 0.133218 S\n",
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{
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"structure_string": "Ca2 Ti2 Ge2 O10\n1.0\n4.487415 3.365670 0.000000\n-4.487415 3.365670 0.000000\n0.000000 2.915044 6.598226\nCa Ti Ge O\n2 2 2 10\ndirect\n0.827392 0.172608 0.750000 Ca\n0.172608 0.827392 0.250000 Ca\n0.500000 0.500000 0.000000 Ti\n0.500000 0.500000 0.500000 Ti\n0.816696 0.183304 0.250000 Ge\n0.183304 0.816696 0.750000 Ge\n0.432536 0.567464 0.250000 O\n0.567464 0.432536 0.750000 O\n0.750657 0.869183 0.421082 O\n0.130817 0.249343 0.078918 O\n0.249343 0.130817 0.578918 O\n0.869183 0.750657 0.921082 O\n0.400385 0.814669 0.891970 O\n0.185331 0.599615 0.608030 O\n0.599615 0.185331 0.108030 O\n0.814669 0.400385 0.391970 O\n",
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{
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{
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"structure_string": "Lu6 Pd8\n1.0\n4.200293 -6.496105 0.000000\n4.200293 6.496105 0.000000\n-5.846478 0.000000 5.065624\nLu Pd\n6 8\ndirect\n0.975958 0.596363 0.722683 Lu\n0.722683 0.975958 0.596363 Lu\n0.596363 0.722683 0.975958 Lu\n0.024042 0.403637 0.277317 Lu\n0.277317 0.024042 0.403637 Lu\n0.403637 0.277317 0.024042 Lu\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.935848 0.771266 0.449304 Pd\n0.449304 0.935848 0.771266 Pd\n0.771266 0.449304 0.935848 Pd\n0.064152 0.228734 0.550696 Pd\n0.550696 0.064152 0.228734 Pd\n0.228734 0.550696 0.064152 Pd\n",
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{
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"structure_string": "La1 Mg6 B1\n1.0\n2.872759 -6.740428 0.000000\n2.872759 6.740428 0.000000\n0.000000 0.000000 4.742793\nLa Mg B\n1 6 1\ndirect\n0.803973 0.196027 0.500000 La\n0.300697 0.197061 0.500000 Mg\n0.802939 0.699303 0.500000 Mg\n0.182685 0.340468 0.000000 Mg\n0.659532 0.817315 0.000000 Mg\n0.641301 0.358699 0.000000 Mg\n0.213114 0.786886 0.000000 Mg\n0.395764 0.604236 0.500000 B\n",
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{
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"formula_full": "B2 Cl2 O4 F8",
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{
"id": "mp-867661",
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"structure_string": "Li8 Fe4 Si12 O32\n1.0\n-4.455408 4.233836 2.728245\n4.157507 -4.424841 8.034796\n8.051320 7.915648 4.972087\nLi Fe Si O\n8 4 12 32\ndirect\n0.105766 0.248337 0.059868 Li\n0.605612 0.748346 0.559946 Li\n0.886588 0.759751 0.007361 Li\n0.386639 0.259832 0.507373 Li\n0.172518 0.605906 0.252646 Li\n0.672485 0.105947 0.752653 Li\n0.777130 0.335959 0.290058 Li\n0.277484 0.835999 0.789961 Li\n0.723415 0.078269 0.508238 Fe\n0.620625 0.603518 0.300038 Fe\n0.223672 0.578406 0.008111 Fe\n0.120390 0.103334 0.800041 Fe\n0.215275 0.612340 0.488709 Si\n0.715429 0.112659 0.988559 Si\n0.752089 0.400754 0.009354 Si\n0.251506 0.900308 0.509627 Si\n0.935617 0.943686 0.148199 Si\n0.435808 0.443582 0.648275 Si\n0.408062 0.379667 0.213848 Si\n0.907970 0.879716 0.713908 Si\n0.081988 0.096938 0.311950 Si\n0.582301 0.597080 0.811829 Si\n0.807797 0.430778 0.481410 Si\n0.307702 0.930854 0.981388 Si\n0.836737 0.083092 0.099151 O\n0.336895 0.582946 0.599169 O\n0.127069 0.751909 0.490532 O\n0.627813 0.252550 0.990036 O\n0.358569 0.643821 0.362635 O\n0.858616 0.143828 0.862576 O\n0.147682 0.007009 0.040205 O\n0.648024 0.506976 0.540344 O\n0.648552 0.399155 0.139919 O\n0.148567 0.899072 0.640164 O\n0.522151 0.963324 0.029268 O\n0.022290 0.462858 0.529373 O\n0.996470 0.411626 0.004624 O\n0.496045 0.911415 0.504752 O\n0.259379 0.228466 0.200953 O\n0.759433 0.728622 0.700807 O\n0.796847 0.784366 0.163461 O\n0.296836 0.284248 0.663537 O\n0.308097 0.510169 0.159603 O\n0.808141 0.010240 0.659608 O\n0.200591 0.040594 0.418577 O\n0.702139 0.541235 0.917943 O\n0.180264 0.760409 0.025983 O\n0.680191 0.260381 0.525980 O\n0.003413 0.959308 0.267601 O\n0.503560 0.459326 0.767627 O\n0.449905 0.369606 0.341484 O\n0.949436 0.869521 0.841639 O\n0.898539 0.165265 0.345913 O\n0.398822 0.665276 0.845874 O\n0.865526 0.513679 0.338672 O\n0.365476 0.013676 0.838635 O\n",
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"elements": [
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],
"chemical_system": "Fe-Li-O-Si",
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"formula_full": "Li8 Fe4 Si12 O32",
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{
"id": "mp-1009757",
"created_at": "2022-09-04T14:41:10.497984Z",
"structure_string": "Se2\n1.0\n1.411707 -4.394991 0.000000\n1.411707 4.394991 0.000000\n0.000000 0.000000 4.642226\nSe\n2\ndirect\n0.941330 0.058670 0.250000 Se\n0.058670 0.941330 0.750000 Se\n",
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"formula_full": "Se2",
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"updated_at": "2021-11-28T01:35:11.938000Z",
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},
{
"id": "mp-648167",
"created_at": "2022-09-04T14:41:10.497929Z",
"structure_string": "Fe3 C8 Br16 N8\n1.0\n8.088293 0.000000 0.000000\n0.162566 9.455740 0.000000\n0.504566 2.754735 11.878464\nFe C Br N\n3 8 16 8\ndirect\n0.129575 0.750454 0.787229 Fe\n0.870425 0.249546 0.212771 Fe\n0.500000 0.500000 0.500000 Fe\n0.653223 0.188560 0.545591 C\n0.550507 0.165374 0.856649 C\n0.821198 0.635159 0.373379 C\n0.449493 0.834626 0.143351 C\n0.616417 0.528600 0.732900 C\n0.178802 0.364841 0.626621 C\n0.383583 0.471400 0.267100 C\n0.346777 0.811440 0.454409 C\n0.806318 0.488217 0.118721 Br\n0.685543 0.527893 0.870568 Br\n0.752697 0.014307 0.578126 Br\n0.360144 0.151580 0.938499 Br\n0.971877 0.870466 0.903399 Br\n0.977913 0.727034 0.630077 Br\n0.626685 0.120162 0.266522 Br\n0.022087 0.272966 0.369923 Br\n0.314457 0.472107 0.129432 Br\n0.639856 0.848420 0.061501 Br\n0.193682 0.511783 0.881279 Br\n0.247303 0.985693 0.421874 Br\n0.002472 0.718271 0.297744 Br\n0.997528 0.281729 0.702256 Br\n0.373315 0.879838 0.733478 Br\n0.028123 0.129534 0.096601 Br\n0.323067 0.822739 0.195230 N\n0.676933 0.177261 0.804770 N\n0.703401 0.582297 0.423932 N\n0.574939 0.521566 0.643704 N\n0.296599 0.417703 0.576068 N\n0.425061 0.478434 0.356296 N\n0.404933 0.694995 0.472843 N\n0.595067 0.305005 0.527157 N\n",
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],
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"formula_full": "Fe3 C8 Br16 N8",
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}
]
}