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{
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"results": [
{
"id": "mp-1220791",
"created_at": "2022-09-04T14:47:24.364930Z",
"structure_string": "Nd14 Zn43 Sn3\n1.0\n4.472431 0.000000 0.000000\n0.000000 15.486714 0.000000\n0.000000 0.035296 17.323371\nNd Zn Sn\n14 43 3\ndirect\n0.500000 0.331893 0.318569 Nd\n0.500000 0.669846 0.681396 Nd\n0.500000 0.829880 0.181760 Nd\n0.500000 0.169141 0.817677 Nd\n0.500000 0.085658 0.246374 Nd\n0.500000 0.915364 0.754483 Nd\n0.500000 0.585112 0.255354 Nd\n0.500000 0.414680 0.745757 Nd\n0.000000 0.337627 0.044048 Nd\n0.000000 0.662253 0.956380 Nd\n0.000000 0.836532 0.455604 Nd\n0.000000 0.162809 0.543829 Nd\n0.500000 0.500306 0.499344 Nd\n0.500000 0.999810 0.999388 Nd\n0.000000 0.195251 0.358195 Zn\n0.000000 0.805075 0.641499 Zn\n0.000000 0.694948 0.141739 Zn\n0.000000 0.305008 0.858331 Zn\n0.000000 0.145481 0.097950 Zn\n0.000000 0.854359 0.901966 Zn\n0.000000 0.637758 0.400329 Zn\n0.000000 0.353899 0.597557 Zn\n0.000000 0.424027 0.215733 Zn\n0.000000 0.578297 0.788871 Zn\n0.000000 0.921200 0.289070 Zn\n0.000000 0.078375 0.710944 Zn\n0.000000 0.243897 0.218928 Zn\n0.000000 0.756396 0.781222 Zn\n0.000000 0.742864 0.281399 Zn\n0.000000 0.256626 0.719177 Zn\n0.000000 0.346727 0.446843 Zn\n0.000000 0.658325 0.549574 Zn\n0.000000 0.841892 0.050423 Zn\n0.000000 0.158116 0.949458 Zn\n0.500000 0.427324 0.140845 Zn\n0.500000 0.572810 0.859233 Zn\n0.500000 0.926809 0.359973 Zn\n0.500000 0.073208 0.640777 Zn\n0.500000 0.251810 0.146522 Zn\n0.500000 0.748737 0.853356 Zn\n0.500000 0.752064 0.353081 Zn\n0.500000 0.248428 0.646741 Zn\n0.000000 0.034058 0.401688 Zn\n0.000000 0.966016 0.598498 Zn\n0.000000 0.533090 0.098676 Zn\n0.000000 0.465715 0.901638 Zn\n0.500000 0.148639 0.418858 Zn\n0.500000 0.851589 0.580738 Zn\n0.500000 0.648629 0.081268 Zn\n0.500000 0.351529 0.919625 Zn\n0.500000 0.500049 0.000149 Zn\n0.500000 0.000133 0.500080 Zn\n0.500000 0.201492 0.006512 Zn\n0.500000 0.798964 0.993291 Zn\n0.500000 0.701272 0.492785 Zn\n0.500000 0.299643 0.506226 Zn\n0.000000 0.480424 0.357750 Zn\n0.000000 0.518306 0.641800 Sn\n0.000000 0.981611 0.142583 Sn\n0.000000 0.018218 0.858135 Sn\n",
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"elements": [
"Nd",
"Zn",
"Sn"
],
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"density": 7.179968202295265,
"density_atomic": 0.0500052861476265,
"volume": 1199.8731458683574,
"volume_molar": 12.043008297605434,
"formula_full": "Nd14 Zn43 Sn3",
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"formula_anonymous": "A3B14C43",
"energy": -156.14339514,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:38:07.851000Z",
"spacegroup": 6
},
{
"id": "mp-1221195",
"created_at": "2022-09-04T14:47:24.368415Z",
"structure_string": "Nd12 Cd72\n1.0\n-7.881117 7.940907 8.080511\n7.881117 -7.940907 8.080511\n7.881117 7.940907 -8.080511\nNd Cd\n12 72\ndirect\n0.803976 0.506465 0.702488 Nd\n0.196024 0.493535 0.297512 Nd\n0.196024 0.898512 0.702488 Nd\n0.803976 0.101488 0.297512 Nd\n0.109943 0.301402 0.808541 Nd\n0.890057 0.698598 0.191459 Nd\n0.492861 0.301402 0.191459 Nd\n0.507139 0.698598 0.808541 Nd\n0.297773 0.188855 0.486629 Nd\n0.702227 0.811145 0.513371 Nd\n0.297773 0.811145 0.108918 Nd\n0.702227 0.188855 0.891082 Nd\n0.998227 0.677117 0.000026 Cd\n0.322910 0.322883 0.321111 Cd\n0.001773 0.001799 0.678889 Cd\n0.677090 0.998201 0.999974 Cd\n0.001773 0.322883 0.999974 Cd\n0.677090 0.677117 0.678889 Cd\n0.998227 0.998201 0.321111 Cd\n0.322910 0.001799 0.000026 Cd\n0.772766 0.452964 0.914907 Cd\n0.461943 0.547036 0.319802 Cd\n0.227234 0.142141 0.680198 Cd\n0.538057 0.857859 0.085093 Cd\n0.860082 0.089475 0.548178 Cd\n0.139918 0.688096 0.229393 Cd\n0.541297 0.311904 0.451822 Cd\n0.458703 0.910525 0.770607 Cd\n0.315804 0.455803 0.540345 Cd\n0.915458 0.775459 0.459655 Cd\n0.084542 0.544197 0.860001 Cd\n0.684196 0.224541 0.139999 Cd\n0.227234 0.547036 0.085093 Cd\n0.538057 0.452964 0.680198 Cd\n0.772766 0.857859 0.319802 Cd\n0.461943 0.142141 0.914907 Cd\n0.139918 0.910525 0.451822 Cd\n0.860082 0.311904 0.770607 Cd\n0.458703 0.688096 0.548178 Cd\n0.541297 0.089475 0.229393 Cd\n0.684196 0.544197 0.459655 Cd\n0.084542 0.224541 0.540345 Cd\n0.915458 0.455803 0.139999 Cd\n0.315804 0.775459 0.860001 Cd\n0.743938 0.648207 0.904269 Cd\n0.256062 0.351793 0.095731 Cd\n0.256062 0.160331 0.904269 Cd\n0.743938 0.839669 0.095731 Cd\n0.855033 0.090176 0.764857 Cd\n0.144967 0.909824 0.235143 Cd\n0.325319 0.090176 0.235143 Cd\n0.674681 0.909824 0.764857 Cd\n0.094716 0.241871 0.336587 Cd\n0.905284 0.758129 0.663413 Cd\n0.094716 0.758129 0.852845 Cd\n0.905284 0.241871 0.147155 Cd\n0.596774 0.243776 0.647003 Cd\n0.403226 0.756224 0.352997 Cd\n0.403226 0.050229 0.647003 Cd\n0.596774 0.949771 0.352997 Cd\n0.947772 0.352350 0.595423 Cd\n0.052228 0.647650 0.404577 Cd\n0.756927 0.352350 0.404577 Cd\n0.243073 0.647650 0.595423 Cd\n0.349467 0.403630 0.753097 Cd\n0.650533 0.596370 0.246903 Cd\n0.349467 0.596370 0.945837 Cd\n0.650533 0.403630 0.054163 Cd\n0.592001 0.592001 0.000000 Cd\n0.407999 0.407999 0.000000 Cd\n0.596136 0.000000 0.596136 Cd\n0.403864 0.000000 0.403864 Cd\n0.000000 0.404651 0.404651 Cd\n0.000000 0.595349 0.595349 Cd\n0.500000 0.302781 0.802781 Cd\n0.500000 0.697219 0.197219 Cd\n0.698449 0.198449 0.500000 Cd\n0.301551 0.801551 0.500000 Cd\n0.192780 0.500000 0.692780 Cd\n0.807220 0.500000 0.307220 Cd\n0.915372 0.821240 0.905867 Cd\n0.084628 0.178760 0.094133 Cd\n0.084628 0.990495 0.905867 Cd\n0.915372 0.009505 0.094133 Cd\n",
"nsites": 84,
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"elements": [
"Nd",
"Cd"
],
"chemical_system": "Cd-Nd",
"density": 8.064968505501138,
"density_atomic": 0.04152623756860225,
"volume": 2022.8174984846669,
"volume_molar": 14.502013937697324,
"formula_full": "Nd12 Cd72",
"formula_reduced": "NdCd6",
"formula_anonymous": "AB6",
"energy": -141.00408769,
"energy_per_atom": -1.678620091547619,
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"updated_at": "2021-11-28T01:38:04.992000Z",
"spacegroup": 71
},
{
"id": "mp-614628",
"created_at": "2022-09-04T14:47:24.810789Z",
"structure_string": "Na6 Ca2 B10 O20\n1.0\n7.505997 0.000000 0.000000\n-3.739578 -6.533661 0.000000\n-3.352232 0.206716 -9.247677\nNa Ca B O\n6 2 10 20\ndirect\n0.767645 0.778434 0.452811 Na\n0.735775 0.461798 0.750408 Na\n0.232355 0.221566 0.547189 Na\n0.194922 0.021989 0.174841 Na\n0.805078 0.978011 0.825159 Na\n0.264225 0.538202 0.249592 Na\n0.747804 0.525926 0.119958 Ca\n0.252196 0.474074 0.880042 Ca\n0.267491 0.855681 0.712381 B\n0.114595 0.815089 0.919295 B\n0.558646 0.285442 0.393812 B\n0.885405 0.184911 0.080705 B\n0.613499 0.841163 0.131810 B\n0.386501 0.158837 0.868190 B\n0.441354 0.714558 0.606188 B\n0.127703 0.757856 0.445604 B\n0.732509 0.144319 0.287619 B\n0.872297 0.242144 0.554396 B\n0.983430 0.708051 0.998036 O\n0.016570 0.291949 0.001964 O\n0.400500 0.074982 0.758186 O\n0.599500 0.925018 0.241814 O\n0.984811 0.743134 0.315306 O\n0.868950 0.269247 0.190725 O\n0.759094 0.970554 0.055875 O\n0.609055 0.685872 0.626618 O\n0.410101 0.768157 0.725313 O\n0.497256 0.639749 0.099545 O\n0.131050 0.730753 0.809275 O\n0.285495 0.695345 0.468633 O\n0.127021 0.841765 0.563468 O\n0.390945 0.314128 0.373382 O\n0.240906 0.029446 0.944125 O\n0.015189 0.256866 0.684694 O\n0.589899 0.231843 0.274687 O\n0.872979 0.158235 0.436532 O\n0.502744 0.360251 0.900455 O\n0.714505 0.304655 0.531367 O\n",
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"elements": [
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"Ca",
"B",
"O"
],
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"density": 2.3659929819451477,
"density_atomic": 0.08378879802677508,
"volume": 453.5212450220008,
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"formula_full": "Na6 Ca2 B10 O20",
"formula_reduced": "Na3Ca(BO2)5",
"formula_anonymous": "AB3C5D10",
"energy": -284.56329074,
"energy_per_atom": -7.488507651052632,
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"updated_at": "2021-11-28T01:37:59.776000Z",
"spacegroup": 2
},
{
"id": "mp-1223583",
"created_at": "2022-09-04T14:47:23.929262Z",
"structure_string": "K2 Nb10 Pb4 O30\n1.0\n9.015868 -9.410209 0.000000\n9.015868 9.410209 0.000000\n0.000000 0.000000 3.967589\nK Nb Pb O\n2 10 4 30\ndirect\n0.170013 0.829987 0.500000 K\n0.824028 0.175972 0.500000 K\n0.500340 0.499660 0.000000 Nb\n0.423655 0.782288 0.000000 Nb\n0.217712 0.576345 0.000000 Nb\n0.713905 0.916709 0.000000 Nb\n0.083291 0.286095 0.000000 Nb\n0.573811 0.211626 0.000000 Nb\n0.788374 0.426189 0.000000 Nb\n0.990917 0.009083 0.000000 Nb\n0.284589 0.066656 0.000000 Nb\n0.933344 0.715411 0.000000 Nb\n0.507670 0.985644 0.500000 Pb\n0.014356 0.492330 0.500000 Pb\n0.368421 0.282481 0.500000 Pb\n0.717519 0.631579 0.500000 Pb\n0.144535 0.010384 0.000000 O\n0.989616 0.855465 0.000000 O\n0.987683 0.012317 0.500000 O\n0.491751 0.508249 0.500000 O\n0.483823 0.353290 0.000000 O\n0.646710 0.516177 0.000000 O\n0.282131 0.717869 0.000000 O\n0.210825 0.229446 0.000000 O\n0.770554 0.789175 0.000000 O\n0.290593 0.093071 0.500000 O\n0.906929 0.709407 0.500000 O\n0.629901 0.082718 0.000000 O\n0.917282 0.370099 0.000000 O\n0.347323 0.942038 0.000000 O\n0.057962 0.652677 0.000000 O\n0.556216 0.221463 0.500000 O\n0.778537 0.443784 0.500000 O\n0.833450 0.007621 0.000000 O\n0.992379 0.166550 0.000000 O\n0.689227 0.931586 0.500000 O\n0.068414 0.310773 0.500000 O\n0.416510 0.809914 0.500000 O\n0.190086 0.583490 0.500000 O\n0.494416 0.664264 0.000000 O\n0.335736 0.505584 0.000000 O\n0.553033 0.880490 0.000000 O\n0.119510 0.446967 0.000000 O\n0.704142 0.295858 0.000000 O\n0.418973 0.160962 0.000000 O\n0.839038 0.581027 0.000000 O\n",
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],
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{
"id": "mp-5818",
"created_at": "2022-09-04T14:47:24.377580Z",
"structure_string": "Tl16 Sn4 S16\n1.0\n8.473281 0.000000 0.000000\n0.000000 8.547681 0.000000\n0.000000 4.146168 15.468429\nTl Sn S\n16 4 16\ndirect\n0.215774 0.100299 0.360063 Tl\n0.715774 0.899701 0.139937 Tl\n0.784226 0.899701 0.639937 Tl\n0.284226 0.100299 0.860063 Tl\n0.821898 0.896583 0.389923 Tl\n0.321898 0.103417 0.110077 Tl\n0.178102 0.103417 0.610077 Tl\n0.678102 0.896583 0.889923 Tl\n0.399669 0.683387 0.377838 Tl\n0.899669 0.316613 0.122162 Tl\n0.600331 0.316613 0.622162 Tl\n0.100331 0.683387 0.877838 Tl\n0.005522 0.525942 0.366929 Tl\n0.505522 0.474058 0.133071 Tl\n0.994478 0.474058 0.633071 Tl\n0.494478 0.525942 0.866929 Tl\n0.884375 0.286629 0.878108 Sn\n0.384375 0.713371 0.621892 Sn\n0.115625 0.713371 0.121892 Sn\n0.615625 0.286629 0.378108 Sn\n0.172602 0.443886 0.213269 S\n0.672602 0.556114 0.286731 S\n0.827398 0.556114 0.786731 S\n0.327398 0.443886 0.713269 S\n0.651866 0.193208 0.963894 S\n0.151866 0.806792 0.536106 S\n0.348134 0.806792 0.036106 S\n0.848134 0.193208 0.463894 S\n0.556208 0.099872 0.291341 S\n0.056208 0.900128 0.208659 S\n0.443792 0.900128 0.708659 S\n0.943792 0.099872 0.791341 S\n0.614968 0.687480 0.535608 S\n0.114968 0.312520 0.964392 S\n0.385032 0.312520 0.464392 S\n0.885032 0.687480 0.035608 S\n",
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"elements": [
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"Sn",
"S"
],
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"density": 6.311170844603035,
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"volume": 1120.330406921124,
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"formula_full": "Tl16 Sn4 S16",
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"energy": -142.74116093,
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"spacegroup": 14
},
{
"id": "mp-1219940",
"created_at": "2022-09-04T14:47:24.823003Z",
"structure_string": "Pd4 W1\n1.0\n11.420509 -1.400307 0.000000\n11.420509 1.400307 0.000000\n11.248812 0.000000 2.419317\nPd W\n4 1\ndirect\n0.601698 0.601698 0.601698 Pd\n0.200342 0.200342 0.200342 Pd\n0.799658 0.799658 0.799658 Pd\n0.398302 0.398302 0.398302 Pd\n0.000000 0.000000 0.000000 W\n",
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"spacegroup": 166
},
{
"id": "mp-1104660",
"created_at": "2022-09-04T14:47:24.026974Z",
"structure_string": "Bi2 Pd4 O8\n1.0\n5.758844 -0.027624 -0.591119\n-2.535714 5.013774 -2.563505\n0.010387 -0.041140 6.518447\nBi Pd O\n2 4 8\ndirect\n0.859149 0.239971 0.649364 Bi\n0.140851 0.760029 0.350636 Bi\n0.000000 0.000000 0.000000 Pd\n0.500000 0.500000 0.000000 Pd\n0.500000 0.500000 0.500000 Pd\n0.500000 0.000000 0.000000 Pd\n0.644354 0.396170 0.228319 O\n0.355646 0.603830 0.771681 O\n0.838244 0.860150 0.645641 O\n0.161756 0.139850 0.354359 O\n0.519019 0.873624 0.246676 O\n0.480981 0.126376 0.753324 O\n0.876723 0.645488 0.988910 O\n0.123277 0.354512 0.011090 O\n",
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],
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"formula_full": "Bi2 Pd4 O8",
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{
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"structure_string": "Si16 H48 Se8\n1.0\n9.006994 0.000000 0.000000\n0.000000 9.006994 0.000000\n0.000000 0.000000 15.889467\nSi H Se\n16 48 8\ndirect\n0.763004 0.615751 0.350627 Si\n0.236996 0.384249 0.850627 Si\n0.615751 0.763004 0.649373 Si\n0.115751 0.736996 0.600627 Si\n0.884249 0.263004 0.100627 Si\n0.736996 0.115751 0.399373 Si\n0.263004 0.884249 0.899373 Si\n0.384249 0.236996 0.149373 Si\n0.171895 0.721014 0.085041 Si\n0.828105 0.278986 0.585041 Si\n0.721014 0.171895 0.914959 Si\n0.278986 0.828105 0.414959 Si\n0.221014 0.328105 0.335041 Si\n0.778986 0.671895 0.835041 Si\n0.328105 0.221014 0.664959 Si\n0.671895 0.778986 0.164959 Si\n0.850037 0.626708 0.429997 H\n0.149963 0.373292 0.929997 H\n0.626708 0.850037 0.570003 H\n0.126708 0.649963 0.679997 H\n0.873292 0.350037 0.179997 H\n0.649963 0.126708 0.320003 H\n0.350037 0.873292 0.820003 H\n0.373292 0.149963 0.070003 H\n0.602897 0.647205 0.366508 H\n0.397103 0.352795 0.866508 H\n0.647205 0.602897 0.633492 H\n0.147205 0.897103 0.616508 H\n0.852795 0.102897 0.116508 H\n0.897103 0.147205 0.383492 H\n0.102897 0.852795 0.883492 H\n0.352795 0.397103 0.133492 H\n0.779516 0.466497 0.311436 H\n0.733190 0.839072 0.084921 H\n0.220484 0.533503 0.811436 H\n0.966497 0.720484 0.561436 H\n0.033503 0.279516 0.061436 H\n0.720484 0.966497 0.438564 H\n0.279516 0.033503 0.938564 H\n0.533503 0.220484 0.188564 H\n0.379258 0.373372 0.345480 H\n0.126628 0.879258 0.095480 H\n0.873372 0.120742 0.595480 H\n0.879258 0.126628 0.904520 H\n0.120742 0.873372 0.404520 H\n0.620742 0.626628 0.845480 H\n0.373372 0.379258 0.654520 H\n0.626628 0.620742 0.154520 H\n0.131363 0.458496 0.307348 H\n0.041504 0.631363 0.057348 H\n0.958496 0.368637 0.557348 H\n0.631363 0.041504 0.942652 H\n0.368637 0.958496 0.442652 H\n0.868637 0.541504 0.807348 H\n0.458496 0.131363 0.692652 H\n0.541504 0.868637 0.192652 H\n0.160928 0.266810 0.415079 H\n0.233190 0.660928 0.165079 H\n0.766810 0.339072 0.665079 H\n0.660928 0.233190 0.834921 H\n0.339072 0.766810 0.334921 H\n0.839072 0.733190 0.915079 H\n0.266810 0.160928 0.584921 H\n0.466497 0.779516 0.688564 H\n0.205492 0.138799 0.237744 Se\n0.361201 0.705492 0.987744 Se\n0.638799 0.294508 0.487744 Se\n0.294508 0.638799 0.512256 Se\n0.794508 0.861201 0.737744 Se\n0.138799 0.205492 0.762256 Se\n0.861201 0.794508 0.262256 Se\n0.705492 0.361201 0.012256 Se\n",
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},
{
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"created_at": "2022-09-04T14:47:24.397495Z",
"structure_string": "Ce2 Ni4\n1.0\n0.000000 3.587073 3.587073\n3.587073 0.000000 3.587073\n3.587073 3.587073 0.000000\nCe Ni\n2 4\ndirect\n0.500000 0.500000 0.500000 Ce\n0.750000 0.750000 0.750000 Ce\n0.125000 0.125000 0.125000 Ni\n0.625000 0.125000 0.125000 Ni\n0.125000 0.625000 0.125000 Ni\n0.125000 0.125000 0.625000 Ni\n",
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{
"id": "mp-1047570",
"created_at": "2022-09-04T14:47:25.147156Z",
"structure_string": "Mg4 Sb8 O16\n1.0\n3.393161 0.000000 0.000000\n0.000000 10.719247 0.000000\n0.000000 0.000000 10.969047\nMg Sb O\n4 8 16\ndirect\n0.834016 0.750000 0.383352 Mg\n0.834016 0.250000 0.116648 Mg\n0.165984 0.750000 0.883352 Mg\n0.165984 0.250000 0.616648 Mg\n0.391576 0.588445 0.123954 Sb\n0.391576 0.088445 0.376046 Sb\n0.608424 0.088445 0.876046 Sb\n0.391576 0.411555 0.376046 Sb\n0.608424 0.411555 0.876046 Sb\n0.391576 0.911555 0.123954 Sb\n0.608424 0.911555 0.623954 Sb\n0.608424 0.588445 0.623954 Sb\n0.631616 0.877416 0.952046 O\n0.368384 0.122584 0.047954 O\n0.744519 0.000000 0.250000 O\n0.368384 0.877416 0.452046 O\n0.368384 0.622584 0.452046 O\n0.650203 0.250000 0.295163 O\n0.631616 0.122584 0.547954 O\n0.349797 0.250000 0.795163 O\n0.744519 0.500000 0.250000 O\n0.255481 0.000000 0.750000 O\n0.631616 0.622584 0.952046 O\n0.349797 0.750000 0.704837 O\n0.650203 0.750000 0.204837 O\n0.255481 0.500000 0.750000 O\n0.631616 0.377416 0.547954 O\n0.368384 0.377416 0.047954 O\n",
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{
"id": "mp-672258",
"created_at": "2022-09-04T14:47:24.405217Z",
"structure_string": "Cs2 Ho4 Cu6 Se10\n1.0\n4.124939 0.000000 0.000000\n-2.054826 7.363370 0.000000\n-0.010328 -0.007868 17.362452\nCs Ho Cu Se\n2 4 6 10\ndirect\n0.946678 0.879625 0.749397 Cs\n0.060218 0.119864 0.249648 Cs\n0.808152 0.618162 0.091038 Ho\n0.190209 0.384713 0.590966 Ho\n0.193888 0.386553 0.908803 Ho\n0.801201 0.614980 0.408932 Ho\n0.421033 0.833960 0.533839 Cu\n0.348375 0.686083 0.249084 Cu\n0.667812 0.314952 0.750814 Cu\n0.591201 0.169665 0.032435 Cu\n0.577123 0.165157 0.466439 Cu\n0.418363 0.836822 0.967156 Cu\n0.832048 0.663986 0.569897 Se\n0.163513 0.337652 0.429444 Se\n0.768597 0.527232 0.249791 Se\n0.561906 0.125381 0.611143 Se\n0.171921 0.338741 0.069953 Se\n0.432170 0.874945 0.388848 Se\n0.436283 0.878278 0.111462 Se\n0.564268 0.127635 0.888201 Se\n0.246052 0.475188 0.749726 Se\n0.833050 0.665835 0.929833 Se\n",
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{
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"created_at": "2022-09-04T14:47:24.964300Z",
"structure_string": "K2 H4 Pt1\n1.0\n-2.905036 2.905036 3.906647\n2.905036 -2.905036 3.906647\n2.905036 2.905036 -3.906647\nK H Pt\n2 4 1\ndirect\n0.250000 0.750000 0.500000 K\n0.750000 0.250000 0.500000 K\n0.202963 0.797037 0.000000 H\n0.202963 0.202963 0.405925 H\n0.797037 0.202963 0.000000 H\n0.797037 0.797037 0.594075 H\n0.000000 0.000000 0.000000 Pt\n",
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],
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]
}