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{
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{
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{
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"structure_string": "H16 W6 Se2 N4 O24\n1.0\n7.349151 0.000000 0.000000\n-3.674576 6.364552 0.000000\n0.000000 0.000000 12.572458\nH W Se N O\n16 6 2 4 24\ndirect\n0.666667 0.333333 0.151703 H\n0.254824 0.511680 0.149184 H\n0.743144 0.254824 0.649184 H\n0.511680 0.256856 0.649184 H\n0.333334 0.666667 0.651702 H\n0.666667 0.333333 0.539923 H\n0.333334 0.666667 0.039924 H\n0.403213 0.819518 0.762569 H\n0.583694 0.403212 0.262569 H\n0.488320 0.743144 0.149184 H\n0.180483 0.583694 0.762569 H\n0.416305 0.596787 0.762569 H\n0.596788 0.180482 0.262569 H\n0.745176 0.488320 0.649184 H\n0.256856 0.745176 0.149184 H\n0.819518 0.416305 0.262569 H\n0.832720 0.661107 0.894319 W\n0.828387 0.167279 0.894319 W\n0.661108 0.828387 0.394319 W\n0.167280 0.338892 0.394319 W\n0.338892 0.171613 0.894319 W\n0.171613 0.832720 0.394319 W\n0.000000 0.000000 0.665035 Se\n0.000000 0.000000 0.165035 Se\n0.666667 0.333333 0.234192 N\n0.333334 0.666667 0.734192 N\n0.666667 0.333333 0.621448 N\n0.333334 0.666667 0.121448 N\n0.204952 0.800151 0.530364 O\n0.795048 0.199849 0.030364 O\n0.800151 0.595199 0.030364 O\n0.595198 0.795048 0.530364 O\n0.541149 0.084564 0.848470 O\n0.456585 0.541149 0.348470 O\n0.199849 0.404801 0.530364 O\n0.915436 0.456585 0.848470 O\n0.543416 0.458851 0.848470 O\n0.458851 0.915435 0.348470 O\n0.249149 0.127527 0.723865 O\n0.121621 0.249149 0.223865 O\n0.127527 0.878379 0.223865 O\n0.872472 0.121621 0.723865 O\n0.878378 0.750851 0.723865 O\n0.750851 0.872473 0.223865 O\n0.084564 0.543415 0.348470 O\n0.874594 0.123178 0.404662 O\n0.751415 0.874593 0.904662 O\n0.123178 0.248585 0.904662 O\n0.876821 0.751414 0.404662 O\n0.248585 0.125406 0.404662 O\n0.125407 0.876821 0.904662 O\n0.404801 0.204952 0.030364 O\n",
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"formula_full": "H16 W6 Se2 N4 O24",
"formula_reduced": "H8W3Se(NO6)2",
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},
{
"id": "mp-1223305",
"created_at": "2022-09-04T14:43:33.605850Z",
"structure_string": "K1 Zn1 H5 S2 O10\n1.0\n4.641128 0.000000 0.000000\n-0.560981 5.840351 0.000000\n-1.375737 -2.057693 7.927053\nK Zn H S O\n1 1 5 2 10\ndirect\n0.999296 0.001985 0.496633 K\n0.003281 0.010213 0.008516 Zn\n0.933107 0.338970 0.837027 H\n0.064620 0.659286 0.164470 H\n0.617233 0.266886 0.874134 H\n0.384703 0.732537 0.130238 H\n0.498254 0.532687 0.514624 H\n0.387998 0.682543 0.763072 S\n0.608444 0.320117 0.244151 S\n0.488731 0.702138 0.594966 O\n0.508443 0.307688 0.405328 O\n0.214038 0.879771 0.796646 O\n0.784712 0.121174 0.205719 O\n0.796794 0.205161 0.847501 O\n0.200400 0.791207 0.150141 O\n0.218375 0.447081 0.731500 O\n0.781192 0.553471 0.266393 O\n0.651139 0.714505 0.897635 O\n0.350239 0.287579 0.102306 O\n",
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"formula_full": "K1 Zn1 H5 S2 O10",
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{
"id": "mp-759516",
"created_at": "2022-09-04T14:45:28.104027Z",
"structure_string": "Na8 Fe4 O12\n1.0\n5.362061 0.000008 -0.025331\n-2.681024 4.652490 0.012674\n-1.828518 0.000020 10.888217\nNa Fe O\n8 4 12\ndirect\n0.162930 0.845725 0.499303 Na\n0.999929 0.499987 0.999966 Na\n0.086889 0.173787 0.250000 Na\n0.500057 0.499966 0.500034 Na\n0.682787 0.845715 0.000698 Na\n0.317235 0.154350 0.999293 Na\n0.913077 0.826148 0.749999 Na\n0.837124 0.154353 0.500704 Na\n0.246930 0.493815 0.750011 Fe\n0.420653 0.841315 0.250009 Fe\n0.579368 0.158720 0.749995 Fe\n0.753172 0.506343 0.250023 Fe\n0.060959 0.801373 0.147107 O\n0.332484 0.840041 0.850595 O\n0.134015 0.558297 0.350830 O\n0.507564 0.840030 0.649391 O\n0.259617 0.198515 0.647126 O\n0.575741 0.441701 0.850826 O\n0.424255 0.558292 0.149165 O\n0.740403 0.801378 0.352893 O\n0.492439 0.159961 0.350628 O\n0.865966 0.441718 0.649157 O\n0.667512 0.159964 0.149376 O\n0.938897 0.198507 0.852872 O\n",
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{
"id": "mp-8870",
"created_at": "2022-09-04T14:48:06.963030Z",
"structure_string": "Li4 Mg4 As4 O16\n1.0\n4.946573 0.000000 0.000000\n0.000000 6.050768 0.000000\n0.000000 0.000000 10.579278\nLi Mg As O\n4 4 4 16\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Li\n0.000000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.006124 0.750000 0.274777 Mg\n0.993876 0.250000 0.725223 Mg\n0.493876 0.750000 0.774777 Mg\n0.506124 0.250000 0.225223 Mg\n0.065110 0.250000 0.405710 As\n0.434890 0.250000 0.905710 As\n0.934890 0.750000 0.594290 As\n0.565110 0.750000 0.094290 As\n0.778290 0.530967 0.671087 O\n0.221710 0.469033 0.328913 O\n0.721710 0.530967 0.171087 O\n0.778290 0.969033 0.671087 O\n0.278290 0.030967 0.828913 O\n0.780106 0.250000 0.901882 O\n0.278290 0.469033 0.828913 O\n0.221710 0.030967 0.328913 O\n0.219894 0.750000 0.098118 O\n0.719894 0.250000 0.401882 O\n0.796474 0.750000 0.444968 O\n0.280106 0.750000 0.598118 O\n0.703526 0.750000 0.944968 O\n0.296474 0.250000 0.055032 O\n0.203526 0.250000 0.555032 O\n0.721710 0.969033 0.171087 O\n",
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"formula_full": "Li4 Mg4 As4 O16",
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{
"id": "mp-1214733",
"created_at": "2022-09-04T14:47:56.110117Z",
"structure_string": "As2 H16 N2 O8\n1.0\n-4.406925 4.406925 4.076022\n4.406925 -4.406925 4.076022\n4.406925 4.406925 -4.076022\nAs H N O\n2 16 2 8\ndirect\n0.000000 0.000000 0.000000 As\n0.250000 0.750000 0.500000 As\n0.580305 0.178717 0.401412 H\n0.777305 0.178893 0.598588 H\n0.821107 0.419695 0.598413 H\n0.669695 0.571107 0.098413 H\n0.821283 0.222695 0.401587 H\n0.472695 0.571283 0.901587 H\n0.428893 0.527305 0.098588 H\n0.428717 0.330305 0.901412 H\n0.503587 0.648623 0.429268 H\n0.219355 0.074319 0.570732 H\n0.925681 0.496413 0.145036 H\n0.746413 0.675681 0.645036 H\n0.351377 0.780645 0.854964 H\n0.030645 0.101377 0.354964 H\n0.324319 0.969355 0.070732 H\n0.898623 0.253587 0.929268 H\n0.500000 0.500000 0.000000 N\n0.750000 0.250000 0.500000 N\n0.314402 0.076416 0.175492 O\n0.900925 0.138910 0.824508 O\n0.861090 0.685598 0.762014 O\n0.935598 0.611090 0.262014 O\n0.923584 0.099075 0.237986 O\n0.349075 0.673584 0.737986 O\n0.388910 0.650925 0.324508 O\n0.326416 0.064402 0.675492 O\n",
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{
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"structure_string": "Na1 Ce1 Mg6 O8\n1.0\n9.053005 -0.000000 0.000000\n0.000000 4.470605 0.000000\n-0.000000 0.000000 4.470605\nNa Ce Mg O\n1 1 6 8\ndirect\n-0.000000 0.500000 0.500000 Na\n-0.000000 0.000000 -0.000000 Ce\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.271425 -0.000000 0.500000 Mg\n0.728575 0.000000 0.500000 Mg\n0.271425 0.500000 -0.000000 Mg\n0.728575 0.500000 0.000000 Mg\n0.269260 0.000000 0.000000 O\n0.730740 0.000000 -0.000000 O\n0.272098 0.500000 0.500000 O\n0.727902 0.500000 0.500000 O\n-0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n-0.000000 0.500000 -0.000000 O\n0.500000 0.500000 -0.000000 O\n",
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],
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"formula_full": "Na1 Ce1 Mg6 O8",
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{
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"structure_string": "Hf4 Zr4 O16\n1.0\n3.622145 6.312261 0.000000\n-3.622145 6.312261 0.000000\n0.000000 4.153058 5.935088\nHf Zr O\n4 4 16\ndirect\n0.135913 0.135913 0.621676 Hf\n0.636350 0.134852 0.123408 Hf\n0.134852 0.636350 0.123408 Hf\n0.134991 0.134991 0.123669 Hf\n0.133491 0.634892 0.625507 Zr\n0.634052 0.634052 0.126583 Zr\n0.634545 0.634545 0.625280 Zr\n0.634892 0.133491 0.625507 Zr\n0.052819 0.505229 0.984057 O\n0.744997 0.744997 0.250183 O\n0.260306 0.793572 0.733212 O\n0.491803 0.491803 0.537378 O\n0.989286 0.989286 0.043535 O\n0.239797 0.239797 0.756037 O\n0.766159 0.288828 0.226142 O\n0.992873 0.992873 0.494760 O\n0.010281 0.547571 0.476289 O\n0.743252 0.743252 0.779475 O\n0.288828 0.766159 0.226142 O\n0.488541 0.488541 0.999537 O\n0.241692 0.241692 0.281215 O\n0.793572 0.260306 0.733212 O\n0.505229 0.052819 0.984057 O\n0.547571 0.010281 0.476289 O\n",
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{
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"structure_string": "Li3 Mn4 P6 O24\n1.0\n6.290860 0.000000 0.000000\n-2.209305 8.091231 0.000000\n-2.502153 -1.065685 8.220030\nLi Mn P O\n3 4 6 24\ndirect\n0.751596 0.714705 0.294944 Li\n0.000000 0.500000 0.500000 Li\n0.248404 0.285295 0.705056 Li\n0.366858 0.943324 0.621853 Mn\n0.869198 0.625978 0.943078 Mn\n0.130802 0.374022 0.056922 Mn\n0.633142 0.056676 0.378147 Mn\n0.248564 0.709653 0.286273 P\n0.873341 0.852405 0.654236 P\n0.358887 0.652941 0.852542 P\n0.641113 0.347059 0.147458 P\n0.126659 0.147595 0.345764 P\n0.751436 0.290347 0.713727 P\n0.098203 0.991596 0.658666 O\n0.678110 0.948466 0.596504 O\n0.024080 0.737905 0.169863 O\n0.474755 0.825674 0.266236 O\n0.390541 0.835321 0.818477 O\n0.233811 0.735012 0.461879 O\n0.894897 0.822107 0.832825 O\n0.821834 0.702296 0.536026 O\n0.261389 0.528262 0.257386 O\n0.182147 0.604453 0.958481 O\n0.593372 0.652226 0.978244 O\n0.269290 0.526086 0.705242 O\n0.730710 0.473914 0.294758 O\n0.406628 0.347774 0.021756 O\n0.817853 0.395547 0.041519 O\n0.738611 0.471738 0.742614 O\n0.178166 0.297704 0.463974 O\n0.105103 0.177893 0.167175 O\n0.766189 0.264988 0.538121 O\n0.609459 0.164679 0.181523 O\n0.525245 0.174326 0.733764 O\n0.975920 0.262095 0.830137 O\n0.321890 0.051534 0.403496 O\n0.901797 0.008404 0.341334 O\n",
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