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"results": [
{
"id": "mp-1245093",
"created_at": "2022-09-04T14:43:18.714574Z",
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"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.725669888090246,
"density_atomic": 0.061922565373832124,
"volume": 1614.9201732242675,
"volume_molar": 9.725276599320122,
"formula_full": "Zn100",
"formula_reduced": "Zn",
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"energy": -120.46746948,
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"updated_at": "2021-11-28T01:36:10.659000Z",
"spacegroup": 1
},
{
"id": "mp-1096009",
"created_at": "2022-09-04T14:39:41.282917Z",
"structure_string": "Na2 Tl1 Pb1\n1.0\n-6.358477 6.439894 9.075325\n6.358477 -6.439894 9.075325\n6.358477 6.439894 -9.075325\nNa Tl Pb\n2 1 1\ndirect\n0.000000 0.253706 0.253706 Na\n0.000000 0.746294 0.746294 Na\n0.000000 0.000000 0.000000 Tl\n0.000000 0.500000 0.500000 Pb\n",
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"elements": [
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"volume": 1486.462651389445,
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"formula_full": "Na2 Tl1 Pb1",
"formula_reduced": "Na2TlPb",
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"updated_at": "2021-11-28T01:34:32.206000Z",
"spacegroup": 71
},
{
"id": "mp-1098049",
"created_at": "2022-09-04T14:39:14.578119Z",
"structure_string": "Cs1 K1 Mg6\n1.0\n5.086592 0.000000 0.000000\n0.000000 6.836712 0.000000\n0.000000 3.229637 8.180978\nCs K Mg\n1 1 6\ndirect\n0.000000 0.812948 0.874144 Cs\n0.000000 0.322972 0.853884 K\n0.000000 0.327310 0.341568 Mg\n0.000000 0.831405 0.342555 Mg\n0.500000 0.220395 0.557908 Mg\n0.500000 0.722853 0.556405 Mg\n0.500000 0.135434 0.228374 Mg\n0.500000 0.626683 0.245163 Mg\n",
"nsites": 8,
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"elements": [
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"K",
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],
"chemical_system": "Cs-K-Mg",
"density": 1.8551101345452452,
"density_atomic": 0.028119692871157825,
"volume": 284.49812864796775,
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"formula_full": "Cs1 K1 Mg6",
"formula_reduced": "CsKMg6",
"formula_anonymous": "ABC6",
"energy": -9.6421587,
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"spacegroup": 6
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{
"id": "mp-570749",
"created_at": "2022-09-04T14:42:41.944301Z",
"structure_string": "Yb1 Hg2\n1.0\n2.486523 -4.306784 0.000000\n2.486523 4.306784 0.000000\n0.000000 0.000000 3.564319\nYb Hg\n1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.333333 0.666667 0.500000 Hg\n0.666667 0.333333 0.500000 Hg\n",
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"elements": [
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"Hg"
],
"chemical_system": "Hg-Yb",
"density": 12.490369300627814,
"density_atomic": 0.0392978799582516,
"volume": 76.33999602999125,
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"formula_full": "Yb1 Hg2",
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"updated_at": "2021-11-28T01:36:00.198000Z",
"spacegroup": 191
},
{
"id": "mp-1245266",
"created_at": "2022-09-04T14:48:29.230725Z",
"structure_string": "Zn100\n1.0\n11.852147 0.555593 -0.003177\n0.556447 11.729898 0.317598\n-0.016631 0.314876 11.711352\nZn\n100\ndirect\n0.812849 0.710133 0.569504 Zn\n0.313446 0.180893 0.118243 Zn\n0.995821 0.326194 0.403270 Zn\n0.279716 0.538235 0.192813 Zn\n0.118034 0.166417 0.635176 Zn\n0.407350 0.891187 0.613374 Zn\n0.612214 0.925130 0.164087 Zn\n0.241120 0.155527 0.857167 Zn\n0.327120 0.399654 0.029587 Zn\n0.541314 0.800022 0.349265 Zn\n0.701477 0.207596 0.623670 Zn\n0.659752 0.297470 0.227333 Zn\n0.356496 0.639264 0.990679 Zn\n0.127040 0.188797 0.275026 Zn\n0.631146 0.143999 0.862158 Zn\n0.584857 0.720222 0.577557 Zn\n0.038753 0.278499 0.807362 Zn\n0.470359 0.057009 0.005127 Zn\n0.193607 0.004641 0.161964 Zn\n0.712535 0.632433 0.396301 Zn\n0.821238 0.228709 0.818443 Zn\n0.571096 0.591399 0.019764 Zn\n0.439617 0.358296 0.215027 Zn\n0.103156 0.853169 0.858245 Zn\n0.100242 0.762385 0.459317 Zn\n0.848060 0.439544 0.757793 Zn\n0.886325 0.258357 0.200740 Zn\n0.365216 0.675099 0.588174 Zn\n0.047547 0.502558 0.834055 Zn\n0.088242 0.397080 0.602173 Zn\n0.526713 0.508794 0.638922 Zn\n0.695466 0.138004 0.080595 Zn\n0.979140 0.051628 0.762777 Zn\n0.208700 0.807207 0.671687 Zn\n0.857362 0.476959 0.288588 Zn\n0.056063 0.394418 0.166752 Zn\n0.664537 0.576868 0.802429 Zn\n0.567304 0.348497 0.018180 Zn\n0.788263 0.667289 0.180675 Zn\n0.781684 0.267203 0.412624 Zn\n0.922171 0.332774 0.987543 Zn\n0.306102 0.843622 0.415428 Zn\n0.484218 0.284802 0.636824 Zn\n0.825296 0.883311 0.108293 Zn\n0.202320 0.766930 0.237316 Zn\n0.976105 0.041164 0.153482 Zn\n0.931594 0.572353 0.018128 Zn\n0.193596 0.395142 0.356438 Zn\n0.430451 0.251290 0.871685 Zn\n0.261472 0.602631 0.405722 Zn\n0.095878 0.612438 0.634894 Zn\n0.877232 0.648359 0.788255 Zn\n0.461337 0.722867 0.793858 Zn\n0.466039 0.001971 0.413170 Zn\n0.625146 0.418005 0.457362 Zn\n0.486144 0.599687 0.411264 Zn\n0.341742 0.199519 0.343418 Zn\n0.250435 0.839078 0.028726 Zn\n0.087717 0.059273 0.962904 Zn\n0.968433 0.807545 0.273025 Zn\n0.048351 0.603911 0.217426 Zn\n0.888763 0.846828 0.881698 Zn\n0.280453 0.267604 0.550755 Zn\n0.035596 0.787275 0.061742 Zn\n0.302073 0.470705 0.624380 Zn\n0.405465 0.399881 0.430512 Zn\n0.395662 0.918401 0.201872 Zn\n0.515300 0.128264 0.216311 Zn\n0.797866 0.069967 0.278220 Zn\n0.750459 0.841986 0.328371 Zn\n0.738451 0.704861 0.966339 Zn\n0.633698 0.360058 0.786193 Zn\n0.510396 0.949210 0.807804 Zn\n0.440302 0.684200 0.191632 Zn\n0.904762 0.276338 0.610890 Zn\n0.684977 0.800178 0.747833 Zn\n0.251210 0.056357 0.484111 Zn\n0.755605 0.450463 0.070899 Zn\n0.827418 0.483495 0.531614 Zn\n0.365797 0.104807 0.691350 Zn\n0.450988 0.486707 0.854817 Zn\n0.085554 0.974400 0.351902 Zn\n0.014997 0.562329 0.436405 Zn\n0.294971 0.935830 0.831144 Zn\n0.902435 0.890859 0.470032 Zn\n0.864538 0.058566 0.957591 Zn\n0.781785 0.991898 0.697803 Zn\n0.242936 0.384961 0.821261 Zn\n0.611821 0.522402 0.235355 Zn\n0.970945 0.809541 0.675890 Zn\n0.561106 0.203807 0.424284 Zn\n0.480866 0.824319 0.000505 Zn\n0.565458 0.039785 0.615027 Zn\n0.940598 0.113630 0.461671 Zn\n0.679882 0.929357 0.941069 Zn\n0.715799 0.020638 0.470104 Zn\n0.250424 0.616142 0.798739 Zn\n0.141995 0.283319 0.006625 Zn\n0.076375 0.969492 0.577697 Zn\n0.150131 0.582422 0.004598 Zn\n",
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"elements": [
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],
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"volume": 1623.3545360694295,
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"updated_at": "2021-11-28T01:39:48.304000Z",
"spacegroup": 1
},
{
"id": "mp-1095830",
"created_at": "2022-09-04T14:43:11.524180Z",
"structure_string": "Sr2 Li1 Sn1\n1.0\n-6.598649 6.860735 9.294015\n6.598649 -6.860735 9.294015\n6.598649 6.860735 -9.294015\nSr Li Sn\n2 1 1\ndirect\n0.738187 0.000000 0.738187 Sr\n0.261813 0.000000 0.261813 Sr\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.500000 Sn\n",
"nsites": 4,
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"elements": [
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"Li",
"Sn"
],
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"density": 0.296872016418202,
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"volume": 1683.0190541923585,
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"formula_full": "Sr2 Li1 Sn1",
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"updated_at": "2021-11-28T01:36:03.068000Z",
"spacegroup": 71
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{
"id": "mp-1094757",
"created_at": "2022-09-04T14:41:00.165344Z",
"structure_string": "Mg2 Cd4\n1.0\n2.681367 -4.735609 0.000000\n2.681367 4.735609 0.000000\n0.000000 0.000000 5.177183\nMg Cd\n2 4\ndirect\n0.674516 0.674516 0.750000 Mg\n0.325484 0.325484 0.250000 Mg\n0.002158 0.335410 0.750000 Cd\n0.335410 0.002158 0.750000 Cd\n0.664590 0.997842 0.250000 Cd\n0.997842 0.664590 0.250000 Cd\n",
"nsites": 6,
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{
"id": "mp-1093897",
"created_at": "2022-09-04T14:46:24.156179Z",
"structure_string": "Li2 La1 Al1\n1.0\n-10.335142 0.000000 -5.966996\n-10.496666 -0.027233 6.246765\n-6.931098 10.057715 0.071021\nLi La Al\n2 1 1\ndirect\n0.766174 1.000000 0.000000 Li\n0.233826 0.000000 1.000000 Li\n0.500000 0.000000 -0.000000 La\n0.000000 0.000000 -0.000000 Al\n",
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"spacegroup": 71
},
{
"id": "mp-1016226",
"created_at": "2022-09-04T14:46:01.502593Z",
"structure_string": "Rb1 Mg3\n1.0\n3.332475 0.000000 0.000000\n0.000000 5.219822 0.000000\n0.000000 0.000000 7.971050\nRb Mg\n1 3\ndirect\n0.000000 0.000000 0.133379 Rb\n0.500000 0.000000 0.653062 Mg\n0.500000 0.500000 0.439873 Mg\n0.000000 0.500000 0.773686 Mg\n",
"nsites": 4,
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"spacegroup": 25
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{
"id": "mp-1186058",
"created_at": "2022-09-04T14:40:13.186847Z",
"structure_string": "Na6 Hg2\n1.0\n3.540917 -6.133048 0.000000\n3.540917 6.133048 0.000000\n0.000000 0.000000 5.471790\nNa Hg\n6 2\ndirect\n0.173052 0.346104 0.250000 Na\n0.653896 0.826948 0.250000 Na\n0.173052 0.826948 0.250000 Na\n0.826948 0.653896 0.750000 Na\n0.346104 0.173052 0.750000 Na\n0.826948 0.173052 0.750000 Na\n0.333333 0.666667 0.750000 Hg\n0.666667 0.333333 0.250000 Hg\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Na",
"Hg"
],
"chemical_system": "Hg-Na",
"density": 3.7668809779684826,
"density_atomic": 0.033661887122512966,
"volume": 237.6575018175266,
"volume_molar": 17.89008660768876,
"formula_full": "Na6 Hg2",
"formula_reduced": "Na3Hg",
"formula_anonymous": "AB3",
"energy": -9.68702784,
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"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -9.68702784,
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"is_magnetic": false,
"total_magnetization": 0.0001934,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.333000Z",
"spacegroup": 194
},
{
"id": "mp-1245184",
"created_at": "2022-09-04T14:42:04.342870Z",
"structure_string": "Zn100\n1.0\n11.791916 -0.590491 0.336102\n-0.574888 11.777260 -0.117554\n0.316093 -0.102528 11.574528\nZn\n100\ndirect\n0.051886 0.581296 0.492227 Zn\n0.300362 0.150346 0.167680 Zn\n0.918463 0.158247 0.362569 Zn\n0.299956 0.744170 0.255131 Zn\n0.239810 0.212089 0.578156 Zn\n0.439373 0.887671 0.668382 Zn\n0.719489 0.942140 0.164297 Zn\n0.198241 0.199390 0.803565 Zn\n0.279720 0.281848 0.994473 Zn\n0.602667 0.815108 0.524177 Zn\n0.584162 0.412190 0.367378 Zn\n0.467484 0.299634 0.207811 Zn\n0.141251 0.653685 0.881779 Zn\n0.082285 0.077066 0.225511 Zn\n0.609490 0.214037 0.933504 Zn\n0.786144 0.723961 0.623471 Zn\n0.052033 0.289380 0.960145 Zn\n0.195883 0.990116 0.044551 Zn\n0.266118 0.961275 0.302818 Zn\n0.741005 0.546245 0.265294 Zn\n0.777344 0.263861 0.530807 Zn\n0.569099 0.634638 0.961527 Zn\n0.189298 0.472189 0.021024 Zn\n0.071258 0.792514 0.032093 Zn\n0.199872 0.815988 0.679762 Zn\n0.910323 0.379986 0.721768 Zn\n0.917956 0.208379 0.134742 Zn\n0.593737 0.747089 0.743159 Zn\n0.131958 0.435066 0.804523 Zn\n0.311119 0.412289 0.671950 Zn\n0.629542 0.586866 0.514219 Zn\n0.693514 0.165071 0.150583 Zn\n0.978851 0.107355 0.836384 Zn\n0.084241 0.917936 0.854107 Zn\n0.953693 0.374859 0.429451 Zn\n0.128121 0.463089 0.309332 Zn\n0.754529 0.609868 0.814114 Zn\n0.413479 0.466062 0.985797 Zn\n0.638421 0.721162 0.157697 Zn\n0.779179 0.315965 0.298913 Zn\n0.832366 0.293874 0.933246 Zn\n0.379678 0.793821 0.466739 Zn\n0.504269 0.380726 0.579847 Zn\n0.794532 0.588188 0.039018 Zn\n0.163022 0.788464 0.451556 Zn\n0.786884 0.062576 0.963205 Zn\n0.942342 0.444826 0.157024 Zn\n0.138388 0.244681 0.387736 Zn\n0.389226 0.109726 0.947682 Zn\n0.270589 0.588647 0.430143 Zn\n0.199888 0.597699 0.653541 Zn\n0.975389 0.612397 0.712818 Zn\n0.478599 0.830327 0.924049 Zn\n0.490900 0.000843 0.457794 Zn\n0.686657 0.373622 0.101621 Zn\n0.496542 0.633891 0.344536 Zn\n0.355296 0.162453 0.389270 Zn\n0.075733 0.825388 0.251317 Zn\n0.970223 0.001836 0.047393 Zn\n0.865174 0.788505 0.129869 Zn\n0.943882 0.629069 0.291071 Zn\n0.907772 0.757522 0.892863 Zn\n0.342569 0.383996 0.417977 Zn\n0.123280 0.627807 0.153669 Zn\n0.423345 0.615608 0.588280 Zn\n0.326809 0.521798 0.209700 Zn\n0.527033 0.855527 0.289567 Zn\n0.497315 0.073602 0.237449 Zn\n0.893327 0.941266 0.298636 Zn\n0.744236 0.760475 0.358349 Zn\n0.698687 0.835184 0.958095 Zn\n0.709338 0.447000 0.662641 Zn\n0.570378 0.020496 0.806626 Zn\n0.320933 0.682687 0.030284 Zn\n0.979256 0.189086 0.588412 Zn\n0.790842 0.931739 0.766041 Zn\n0.278064 0.984276 0.534954 Zn\n0.646686 0.423840 0.887188 Zn\n0.836537 0.543156 0.494445 Zn\n0.403618 0.114087 0.681271 Zn\n0.495371 0.524467 0.769456 Zn\n0.071581 0.007223 0.443296 Zn\n0.109404 0.385634 0.587396 Zn\n0.303239 0.925926 0.848662 Zn\n0.946518 0.775824 0.458835 Zn\n0.797438 0.164693 0.743630 Zn\n0.606452 0.235585 0.693936 Zn\n0.431188 0.302116 0.819540 Zn\n0.541019 0.512275 0.160083 Zn\n0.975506 0.841306 0.677446 Zn\n0.576265 0.210092 0.449333 Zn\n0.379903 0.899372 0.112553 Zn\n0.664173 0.035905 0.598961 Zn\n0.849456 0.954569 0.534328 Zn\n0.564135 0.015749 0.030800 Zn\n0.707601 0.046537 0.367558 Zn\n0.350357 0.693055 0.798691 Zn\n0.135404 0.294960 0.170234 Zn\n0.105289 0.038112 0.664844 Zn\n0.958485 0.501857 0.926945 Zn\n",
"nsites": 100,
"nelements": 1,
"elements": [
"Zn"
],
"chemical_system": "Zn",
"density": 6.779283164252495,
"density_atomic": 0.06241617740851449,
"volume": 1602.1487401495133,
"volume_molar": 9.648365231637033,
"formula_full": "Zn100",
"formula_reduced": "Zn",
"formula_anonymous": "A",
"energy": -121.08917173,
"energy_per_atom": -1.2108917173,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -121.08917173,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.300000Z",
"spacegroup": 1
},
{
"id": "mp-1095809",
"created_at": "2022-09-04T14:39:15.909459Z",
"structure_string": "Cs2 Rb1 Sb1\n1.0\n-7.860907 8.436551 11.089609\n7.860907 -8.436551 11.089609\n7.860907 8.436551 -11.089609\nCs Rb Sb\n2 1 1\ndirect\n0.287499 0.000000 0.287499 Cs\n0.712501 0.000000 0.712501 Cs\n0.000000 0.000000 0.000000 Rb\n0.500000 0.000000 0.500000 Sb\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cs",
"Rb",
"Sb"
],
"chemical_system": "Cs-Rb-Sb",
"density": 0.2670127216923517,
"density_atomic": 0.001359709624079799,
"volume": 2941.8045803029827,
"volume_molar": 442.8990317749321,
"formula_full": "Cs2 Rb1 Sb1",
"formula_reduced": "Cs2RbSb",
"formula_anonymous": "ABC2",
"energy": -4.84472752,
"energy_per_atom": -1.21118188,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -4.65272752,
"band_gap": 0.0043999999999999,
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"total_magnetization": 0.5013661,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.920000Z",
"spacegroup": 71
}
]
}