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{
"id": "mp-10371",
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{
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"formula_full": "H4 Pb8 S2 O16",
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{
"id": "mp-4740",
"created_at": "2022-09-04T14:47:17.484358Z",
"structure_string": "Y1 Cr2 Si2\n1.0\n-1.927033 1.927033 5.353044\n1.927033 -1.927033 5.353044\n1.927033 1.927033 -5.353044\nY Cr Si\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Y\n0.750000 0.250000 0.500000 Cr\n0.250000 0.750000 0.500000 Cr\n0.615627 0.615627 0.000000 Si\n0.384373 0.384373 0.000000 Si\n",
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{
"id": "mp-733973",
"created_at": "2022-09-04T14:47:17.490854Z",
"structure_string": "Na4 H20 S8 O36\n1.0\n14.033221 0.000000 0.000000\n0.000000 7.502057 0.000000\n0.000000 2.197116 9.146509\nNa H S O\n4 20 8 36\ndirect\n0.077977 0.214290 0.695775 Na\n0.577977 0.785710 0.804225 Na\n0.922023 0.785710 0.304225 Na\n0.422023 0.214290 0.195775 Na\n0.415444 0.801045 0.214498 H\n0.915444 0.198955 0.285502 H\n0.584556 0.198955 0.785502 H\n0.084556 0.801045 0.714498 H\n0.849317 0.129822 0.746924 H\n0.349317 0.870178 0.753076 H\n0.150683 0.870178 0.253076 H\n0.650683 0.129822 0.246924 H\n0.669289 0.445910 0.963527 H\n0.169289 0.554090 0.536473 H\n0.330711 0.554090 0.036473 H\n0.830711 0.445910 0.463527 H\n0.891153 0.562276 0.753916 H\n0.391153 0.437724 0.746084 H\n0.108847 0.437724 0.246084 H\n0.608847 0.562276 0.253916 H\n0.753700 0.687322 0.499623 H\n0.253700 0.312678 0.000377 H\n0.246300 0.312678 0.500377 H\n0.746300 0.687322 0.999623 H\n0.026000 0.686970 0.653262 S\n0.526000 0.313030 0.846738 S\n0.974000 0.313030 0.346738 S\n0.474000 0.686970 0.153262 S\n0.704385 0.981461 0.454552 S\n0.204385 0.018539 0.045448 S\n0.295615 0.018539 0.545448 S\n0.795615 0.981461 0.954552 S\n0.013486 0.796186 0.499654 O\n0.513486 0.203814 0.000346 O\n0.986514 0.203814 0.500346 O\n0.486514 0.796186 0.999654 O\n0.837512 0.471613 0.779267 O\n0.337512 0.528387 0.720733 O\n0.162488 0.528387 0.220733 O\n0.662488 0.471613 0.279267 O\n0.093912 0.524881 0.661920 O\n0.593912 0.475119 0.838080 O\n0.906088 0.475119 0.338080 O\n0.406088 0.524881 0.161920 O\n0.014336 0.419887 0.018449 O\n0.514336 0.580113 0.481551 O\n0.985664 0.580113 0.981551 O\n0.485664 0.419887 0.518449 O\n0.639146 0.003051 0.307836 O\n0.139146 0.996949 0.192164 O\n0.360854 0.996949 0.692164 O\n0.860854 0.003051 0.807836 O\n0.639928 0.908026 0.576992 O\n0.139928 0.091974 0.923008 O\n0.360072 0.091974 0.423008 O\n0.860072 0.908026 0.076992 O\n0.770361 0.809202 0.434311 O\n0.270361 0.190798 0.065689 O\n0.229639 0.190798 0.565689 O\n0.729639 0.809202 0.934311 O\n0.716954 0.434974 0.049460 O\n0.216954 0.565026 0.450540 O\n0.283046 0.565026 0.950540 O\n0.783046 0.434974 0.549460 O\n0.150262 0.633082 0.327747 O\n0.650262 0.366918 0.172253 O\n0.849738 0.366918 0.672253 O\n0.349738 0.633082 0.827747 O\n",
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"formula_full": "Na4 H20 S8 O36",
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"energy": -359.90986124000005,
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"updated_at": "2021-11-28T01:38:03.718000Z",
"spacegroup": 14
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{
"id": "mp-27575",
"created_at": "2022-09-04T14:47:20.363118Z",
"structure_string": "Te10 O8 F44\n1.0\n-5.022516 5.022516 10.377029\n5.022516 -5.022516 10.377029\n5.022516 5.022516 -10.377029\nTe O F\n10 8 44\ndirect\n0.683717 0.177426 0.918395 Te\n0.515322 0.933717 0.006292 Te\n0.927426 0.509030 0.993708 Te\n0.259030 0.765322 0.081605 Te\n0.066283 0.072574 0.581605 Te\n0.234678 0.316283 0.493708 Te\n0.822574 0.740970 0.506292 Te\n0.490970 0.484678 0.418395 Te\n0.000000 0.000000 0.000000 Te\n0.750000 0.250000 0.500000 Te\n0.817204 0.057842 0.872060 O\n0.695143 0.067204 0.259362 O\n0.807842 0.435782 0.740638 O\n0.185782 0.945143 0.127940 O\n0.932796 0.192158 0.627940 O\n0.054857 0.182796 0.240638 O\n0.942158 0.814218 0.759362 O\n0.564218 0.304857 0.372060 O\n0.547383 0.290279 0.947647 F\n0.349736 0.797383 0.757104 F\n0.840621 0.340621 0.500000 F\n0.090621 0.090621 0.000000 F\n0.909379 0.909379 0.000000 F\n0.659379 0.159379 0.500000 F\n0.302253 0.371733 0.233928 F\n0.818325 0.552253 0.430521 F\n0.121733 0.387804 0.569479 F\n0.137804 0.068325 0.766072 F\n0.447747 0.878267 0.266072 F\n0.931675 0.697747 0.069479 F\n0.628267 0.862196 0.930521 F\n0.612196 0.181675 0.733928 F\n0.478266 0.438939 0.233800 F\n0.994466 0.728266 0.539327 F\n0.188939 0.455139 0.460673 F\n0.205139 0.244466 0.766200 F\n0.271734 0.811061 0.266200 F\n0.755534 0.521734 0.960673 F\n0.561061 0.794861 0.039327 F\n0.544861 0.005534 0.733800 F\n0.501903 0.533865 0.603864 F\n0.648039 0.751903 0.468038 F\n0.283865 0.180001 0.531962 F\n0.930001 0.898039 0.396136 F\n0.248097 0.716135 0.896136 F\n0.101961 0.498097 0.031962 F\n0.466135 0.069999 0.968038 F\n0.819999 0.351961 0.103864 F\n0.678996 0.600103 0.603633 F\n0.825363 0.928996 0.578893 F\n0.350103 0.246470 0.421107 F\n0.996470 0.075363 0.396367 F\n0.071004 0.649897 0.896367 F\n0.924637 0.321004 0.921107 F\n0.399897 0.003530 0.078893 F\n0.753530 0.174637 0.103633 F\n0.407368 0.650264 0.447647 F\n0.709721 0.657368 0.257104 F\n0.400264 0.452617 0.742896 F\n0.202617 0.959721 0.552353 F\n0.342632 0.599736 0.052353 F\n0.040279 0.592632 0.242896 F\n",
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{
"id": "mp-1194291",
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"structure_string": "Gd2 Be26\n1.0\n0.000000 5.101432 5.101432\n5.101432 0.000000 5.101432\n5.101432 5.101432 0.000000\nGd Be\n2 26\ndirect\n0.250000 0.250000 0.250000 Gd\n0.750000 0.750000 0.750000 Gd\n0.500000 0.500000 0.500000 Be\n0.000000 0.000000 0.000000 Be\n0.790592 0.562842 0.209408 Be\n0.209408 0.437158 0.790592 Be\n0.562842 0.790592 0.437158 Be\n0.437158 0.209408 0.562842 Be\n0.290592 0.937158 0.709408 Be\n0.709408 0.062842 0.290592 Be\n0.937158 0.290592 0.062842 Be\n0.062842 0.709408 0.937158 Be\n0.209408 0.790592 0.562842 Be\n0.790592 0.209408 0.437158 Be\n0.437158 0.562842 0.790592 Be\n0.562842 0.437158 0.209408 Be\n0.709408 0.290592 0.937158 Be\n0.290592 0.709408 0.062842 Be\n0.062842 0.937158 0.290592 Be\n0.937158 0.062842 0.709408 Be\n0.562842 0.209408 0.790592 Be\n0.437158 0.790592 0.209408 Be\n0.790592 0.437158 0.562842 Be\n0.209408 0.562842 0.437158 Be\n0.937158 0.709408 0.290592 Be\n0.062842 0.290592 0.709408 Be\n0.290592 0.062842 0.937158 Be\n0.709408 0.937158 0.062842 Be\n",
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{
"id": "mp-1197456",
"created_at": "2022-09-04T14:47:23.502733Z",
"structure_string": "Cs8 U8 Te48\n1.0\n8.282743 0.000000 0.000000\n0.000000 9.506510 0.000000\n0.000000 0.000000 31.601798\nCs U Te\n8 8 48\ndirect\n0.250000 0.086275 0.538587 Cs\n0.250000 0.413725 0.038587 Cs\n0.750000 0.913725 0.461413 Cs\n0.750000 0.586275 0.961413 Cs\n0.250000 0.603809 0.793796 Cs\n0.250000 0.896191 0.293796 Cs\n0.750000 0.396191 0.206204 Cs\n0.750000 0.103809 0.706204 Cs\n0.250000 0.099204 0.876127 U\n0.250000 0.400796 0.376127 U\n0.750000 0.900796 0.123873 U\n0.750000 0.599204 0.623873 U\n0.250000 0.880876 0.123784 U\n0.250000 0.619124 0.623784 U\n0.750000 0.119124 0.876216 U\n0.750000 0.380876 0.376216 U\n0.012843 0.354786 0.621465 Te\n0.487157 0.145214 0.121465 Te\n0.512843 0.645214 0.378535 Te\n0.987157 0.854786 0.878535 Te\n0.987157 0.645214 0.378535 Te\n0.512843 0.854786 0.878535 Te\n0.487157 0.354786 0.621465 Te\n0.012843 0.145214 0.121465 Te\n0.003194 0.233924 0.809816 Te\n0.496806 0.266076 0.309816 Te\n0.503194 0.766076 0.190184 Te\n0.996806 0.733924 0.690184 Te\n0.996806 0.766076 0.190184 Te\n0.503194 0.733924 0.690184 Te\n0.496806 0.233924 0.809816 Te\n0.003194 0.266076 0.309816 Te\n0.006927 0.227636 0.941769 Te\n0.493073 0.272364 0.441769 Te\n0.506927 0.772364 0.058231 Te\n0.993073 0.727636 0.558231 Te\n0.993073 0.772364 0.058231 Te\n0.506927 0.727636 0.558231 Te\n0.493073 0.227636 0.941769 Te\n0.006927 0.272364 0.441769 Te\n0.250000 0.499103 0.531186 Te\n0.250000 0.000897 0.031186 Te\n0.750000 0.500897 0.468814 Te\n0.750000 0.999103 0.968814 Te\n0.250000 0.926065 0.651849 Te\n0.250000 0.573935 0.151849 Te\n0.750000 0.073935 0.348151 Te\n0.750000 0.426065 0.848151 Te\n0.250000 0.370614 0.689743 Te\n0.250000 0.129386 0.189743 Te\n0.750000 0.629386 0.310257 Te\n0.750000 0.870614 0.810257 Te\n0.250000 0.019396 0.782410 Te\n0.250000 0.480604 0.282410 Te\n0.750000 0.980604 0.217590 Te\n0.750000 0.519396 0.717590 Te\n0.250000 0.419698 0.906255 Te\n0.250000 0.080302 0.406255 Te\n0.750000 0.580302 0.093745 Te\n0.750000 0.919698 0.593745 Te\n0.250000 0.857451 0.947739 Te\n0.250000 0.642549 0.447739 Te\n0.750000 0.142549 0.052261 Te\n0.750000 0.357451 0.552261 Te\n",
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{
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