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"results": [
{
"id": "mp-1094467",
"created_at": "2022-09-04T14:43:51.909135Z",
"structure_string": "Mg3 Zr1\n1.0\n0.000000 3.525580 3.525580\n3.525580 0.000000 3.525580\n3.525580 3.525580 0.000000\nMg Zr\n3 1\ndirect\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n0.500000 0.500000 0.500000 Zr\n",
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{
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"structure_string": "Mg10 Si18\n1.0\n6.515811 0.000000 0.000000\n-2.914773 -6.799207 0.000000\n-1.743643 0.735101 -12.009438\nMg Si\n10 18\ndirect\n0.595547 0.974878 0.680613 Mg\n0.718692 0.018970 0.420708 Mg\n0.190373 0.649927 0.530350 Mg\n0.732461 0.437117 0.344057 Mg\n0.764278 0.688489 0.571432 Mg\n0.347532 0.230193 0.484123 Mg\n0.692381 0.139344 0.133511 Mg\n0.489132 0.175395 0.875468 Mg\n0.962965 0.528652 0.027778 Mg\n0.031910 0.262649 0.856572 Mg\n0.237529 0.246889 0.164616 Si\n0.400214 0.611364 0.928292 Si\n0.993140 0.848257 0.367697 Si\n0.136878 0.261289 0.648278 Si\n0.103868 0.454264 0.256226 Si\n0.002256 0.802904 0.831013 Si\n0.367687 0.767751 0.196512 Si\n0.759372 0.465164 0.765669 Si\n0.739317 0.763499 0.194945 Si\n0.169842 0.953910 0.674436 Si\n0.726548 0.907857 0.897788 Si\n0.971502 0.953936 0.066834 Si\n0.348407 0.041921 0.292271 Si\n0.436308 0.554358 0.734234 Si\n0.283414 0.874546 0.001147 Si\n0.543472 0.455017 0.076177 Si\n0.810995 0.332048 0.589397 Si\n0.443552 0.599312 0.389599 Si\n",
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"formula_full": "Mg10 Si18",
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{
"id": "mp-556363",
"created_at": "2022-09-04T14:43:53.275782Z",
"structure_string": "Zn18 S18\n1.0\n1.926978 -3.337624 0.000000\n1.926978 3.337624 0.000000\n0.000000 0.000000 56.689391\nZn S\n18 18\ndirect\n0.000000 0.000000 0.166662 Zn\n0.000000 0.000000 0.444437 Zn\n0.666667 0.333333 0.333331 Zn\n0.000000 0.000000 0.555574 Zn\n0.000000 0.000000 0.722219 Zn\n0.333333 0.666667 0.055561 Zn\n0.333333 0.666667 0.611112 Zn\n0.666667 0.333333 0.111113 Zn\n0.000000 0.000000 0.000013 Zn\n0.333333 0.666667 0.222219 Zn\n0.000000 0.000000 0.277790 Zn\n0.666667 0.333333 0.777792 Zn\n0.666667 0.333333 0.944439 Zn\n0.333333 0.666667 0.388892 Zn\n0.333333 0.666667 0.833333 Zn\n0.666667 0.333333 0.666662 Zn\n0.666667 0.333333 0.499997 Zn\n0.000000 0.000000 0.888886 Zn\n0.000000 0.000000 0.930522 S\n0.000000 0.000000 0.041668 S\n0.666667 0.333333 0.708298 S\n0.000000 0.000000 0.597227 S\n0.333333 0.666667 0.430557 S\n0.000000 0.000000 0.319438 S\n0.666667 0.333333 0.152779 S\n0.666667 0.333333 0.374997 S\n0.333333 0.666667 0.097228 S\n0.666667 0.333333 0.986143 S\n0.666667 0.333333 0.819445 S\n0.000000 0.000000 0.763923 S\n0.333333 0.666667 0.652778 S\n0.000000 0.000000 0.486075 S\n0.666667 0.333333 0.541702 S\n0.333333 0.666667 0.263922 S\n0.000000 0.000000 0.208298 S\n0.333333 0.666667 0.874998 S\n",
"nsites": 36,
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"elements": [
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"volume": 729.1988133373108,
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"formula_full": "Zn18 S18",
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"spacegroup": 156
},
{
"id": "mp-1073396",
"created_at": "2022-09-04T14:43:53.244570Z",
"structure_string": "Mg4 Si8\n1.0\n3.708703 0.000000 0.000000\n-1.083852 5.143076 0.000000\n-0.203823 -2.546138 12.305877\nMg Si\n4 8\ndirect\n0.358979 0.984712 0.922630 Mg\n0.705578 0.612837 0.061319 Mg\n0.032289 0.956127 0.288616 Mg\n0.812569 0.016653 0.706421 Mg\n0.162383 0.422288 0.196062 Si\n0.652276 0.575702 0.799216 Si\n0.542249 0.398547 0.607839 Si\n0.247472 0.540196 0.388812 Si\n0.112930 0.422144 0.889548 Si\n0.580368 0.122680 0.145265 Si\n0.982476 0.212387 0.506332 Si\n0.810892 0.736008 0.488199 Si\n",
"nsites": 12,
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"elements": [
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"chemical_system": "Mg-Si",
"density": 2.27728771468722,
"density_atomic": 0.051123864904833026,
"volume": 234.72403783121595,
"volume_molar": 11.77950996312623,
"formula_full": "Mg4 Si8",
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"formula_anonymous": "AB2",
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"updated_at": "2021-11-28T01:36:22.860000Z",
"spacegroup": 1
},
{
"id": "mp-1095646",
"created_at": "2022-09-04T14:43:53.236231Z",
"structure_string": "H10 W2\n1.0\n3.073748 0.000000 0.000000\n0.000000 3.591207 0.000000\n0.000000 0.000000 6.141878\nH W\n10 2\ndirect\n0.448500 0.295137 0.603667 H\n0.448500 0.704863 0.396333 H\n0.448500 0.295137 0.896333 H\n0.448500 0.704863 0.103667 H\n0.956473 0.726834 0.572899 H\n0.956473 0.273166 0.427101 H\n0.956473 0.726834 0.927101 H\n0.956473 0.273166 0.072899 H\n0.437748 0.836940 0.750000 H\n0.437748 0.163060 0.250000 H\n0.980814 0.133452 0.750000 W\n0.980814 0.866548 0.250000 W\n",
"nsites": 12,
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"elements": [
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],
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"density": 9.252401999529013,
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"formula_full": "H10 W2",
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},
{
"id": "mp-1182259",
"created_at": "2022-09-04T14:43:59.044496Z",
"structure_string": "Ba8 O16\n1.0\n8.258826 0.000000 -1.218291\n0.000000 7.954509 0.000000\n-0.181620 0.000000 7.081469\nBa O\n8 16\ndirect\n0.863826 0.118106 0.274584 Ba\n0.363826 0.381894 0.774584 Ba\n0.136174 0.881894 0.725416 Ba\n0.636174 0.618106 0.225416 Ba\n0.333504 0.038320 0.262419 Ba\n0.833504 0.461680 0.762419 Ba\n0.666496 0.961680 0.737581 Ba\n0.166496 0.538320 0.237581 Ba\n0.631934 0.929381 0.363643 O\n0.131934 0.570619 0.863643 O\n0.368066 0.070619 0.636357 O\n0.868066 0.429381 0.136357 O\n0.064510 0.839491 0.331778 O\n0.564510 0.660509 0.831778 O\n0.935490 0.160509 0.668222 O\n0.435490 0.339491 0.168222 O\n0.936912 0.863346 0.026100 O\n0.436912 0.636654 0.526100 O\n0.063088 0.136654 0.973900 O\n0.563088 0.363346 0.473900 O\n0.346143 0.738525 0.026332 O\n0.846143 0.761475 0.526332 O\n0.653857 0.261475 0.973668 O\n0.153858 0.238525 0.473668 O\n",
"nsites": 24,
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},
{
"id": "mp-1074934",
"created_at": "2022-09-04T14:43:51.871002Z",
"structure_string": "Mg6 Si8\n1.0\n-6.306255 0.000000 0.000000\n-0.723839 -6.467975 0.000000\n2.305681 2.707245 6.519643\nMg Si\n6 8\ndirect\n0.860168 0.519046 0.391327 Mg\n0.458761 0.788333 0.523158 Mg\n0.553956 0.258998 0.920228 Mg\n0.737007 0.745412 0.928404 Mg\n0.950613 0.966811 0.402043 Mg\n0.138970 0.152522 0.151514 Mg\n0.963556 0.312813 0.789726 Si\n0.251069 0.734621 0.777803 Si\n0.095624 0.581350 0.139387 Si\n0.431525 0.716306 0.115787 Si\n0.899625 0.935531 0.739181 Si\n0.601639 0.361505 0.553464 Si\n0.232569 0.324282 0.599868 Si\n0.571559 0.102698 0.214802 Si\n",
"nsites": 14,
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{
"id": "mp-974474",
"created_at": "2022-09-04T14:43:49.635548Z",
"structure_string": "Re2 Br2\n1.0\n1.538250 -2.664328 0.000000\n1.538250 2.664328 0.000000\n0.000000 0.000000 8.733072\nRe Br\n2 2\ndirect\n0.666667 0.333333 0.826593 Re\n0.333333 0.666667 0.326593 Re\n0.666667 0.333333 0.548408 Br\n0.333333 0.666667 0.048408 Br\n",
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{
"id": "mp-1197742",
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"structure_string": "In12 Te30\n1.0\n2.189755 8.645434 0.000000\n-2.189755 8.645434 0.000000\n0.000000 7.728387 41.773145\nIn Te\n12 30\ndirect\n0.063648 0.947664 0.556275 In\n0.052336 0.936352 0.943725 In\n0.936352 0.052336 0.443725 In\n0.947664 0.063648 0.056275 In\n0.420525 0.307820 0.610902 In\n0.692180 0.579475 0.889098 In\n0.579475 0.692180 0.389098 In\n0.307820 0.420525 0.110902 In\n0.824935 0.581397 0.721922 In\n0.418603 0.175065 0.778078 In\n0.175065 0.418603 0.278078 In\n0.581397 0.824935 0.221922 In\n0.014743 0.905028 0.625740 Te\n0.094972 0.985257 0.874260 Te\n0.985257 0.094972 0.374260 Te\n0.905028 0.014743 0.125740 Te\n0.466071 0.355087 0.541118 Te\n0.644913 0.533929 0.958882 Te\n0.533929 0.644913 0.458882 Te\n0.355087 0.466071 0.041118 Te\n0.229192 0.174395 0.630519 Te\n0.825605 0.770808 0.869481 Te\n0.770808 0.825605 0.369481 Te\n0.174395 0.229192 0.130519 Te\n0.754708 0.615048 0.581195 Te\n0.384952 0.245292 0.918805 Te\n0.245292 0.384952 0.418805 Te\n0.615048 0.754708 0.081195 Te\n0.193477 0.138850 0.532455 Te\n0.861150 0.806523 0.967545 Te\n0.806523 0.861150 0.467545 Te\n0.138850 0.193477 0.032455 Te\n0.430866 0.193787 0.708281 Te\n0.806213 0.569134 0.791719 Te\n0.569134 0.806213 0.291719 Te\n0.193787 0.430866 0.208281 Te\n0.642330 0.480533 0.700499 Te\n0.519467 0.357670 0.799501 Te\n0.357670 0.519467 0.299501 Te\n0.480533 0.642330 0.200499 Te\n0.133527 0.866473 0.750000 Te\n0.866473 0.133527 0.250000 Te\n",
"nsites": 42,
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"energy": -149.20801082,
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{
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"structure_string": "Nd1 Co5\n1.0\n2.508696 -4.345189 0.000000\n2.508696 4.345189 0.000000\n0.000000 0.000000 3.941669\nNd Co\n1 5\ndirect\n0.000000 0.000000 0.000000 Nd\n0.333333 0.666667 0.000000 Co\n0.666667 0.333333 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
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{
"id": "mp-1192251",
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"structure_string": "Hf14 As8\n1.0\n0.000000 -3.612351 0.000000\n-8.122952 1.806175 0.000000\n3.735508 0.000000 -14.541071\nHf As\n14 8\ndirect\n0.000000 0.000000 0.000000 Hf\n0.500000 0.000000 0.500000 Hf\n0.430821 0.861641 0.829245 Hf\n0.569179 0.138359 0.170755 Hf\n0.196299 0.392599 0.309999 Hf\n0.803701 0.607401 0.690001 Hf\n0.207428 0.414855 0.797365 Hf\n0.792572 0.585145 0.202635 Hf\n0.337357 0.674714 0.029081 Hf\n0.662643 0.325286 0.970919 Hf\n0.002856 0.005712 0.665898 Hf\n0.997144 0.994288 0.334102 Hf\n0.178561 0.357122 0.542253 Hf\n0.821439 0.642878 0.457747 Hf\n0.174214 0.348428 0.111079 As\n0.825786 0.651572 0.888921 As\n0.374436 0.748873 0.599836 As\n0.625564 0.251127 0.400164 As\n0.370321 0.740643 0.337904 As\n0.629679 0.259357 0.662096 As\n0.064008 0.128017 0.851141 As\n0.935992 0.871983 0.148859 As\n",
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{
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}