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{
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"results": [
{
"id": "mp-1247229",
"created_at": "2022-09-04T14:47:56.127504Z",
"structure_string": "Mn2 Co9 N8\n1.0\n7.319669 -0.039779 0.302587\n1.061464 3.756801 0.000000\n1.790589 -0.505921 6.248287\nMn Co N\n2 9 8\ndirect\n0.440824 0.779588 0.806099 Mn\n0.559176 0.220412 0.193901 Mn\n0.000000 0.500000 0.500000 Co\n0.034811 0.982595 0.787043 Co\n0.965189 0.017405 0.212957 Co\n0.656518 0.671741 0.412300 Co\n0.343482 0.328259 0.587700 Co\n0.805704 0.597149 0.975687 Co\n0.194296 0.402851 0.024313 Co\n0.297778 0.851111 0.308683 Co\n0.702222 0.148889 0.691317 Co\n0.232681 0.883659 0.055355 N\n0.767319 0.116341 0.944645 N\n0.357557 0.821221 0.579055 N\n0.642443 0.178779 0.420945 N\n0.716948 0.641526 0.705065 N\n0.283052 0.358474 0.294935 N\n0.920390 0.539805 0.230273 N\n0.079610 0.460195 0.769727 N\n",
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"formula_full": "Mn2 Co9 N8",
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"spacegroup": 12
},
{
"id": "mp-1210805",
"created_at": "2022-09-04T14:47:55.990737Z",
"structure_string": "Lu10 In8 Pt4\n1.0\n0.000000 0.000000 3.541655\n8.082863 0.000000 0.000000\n0.000000 18.028975 0.000000\nLu In Pt\n10 8 4\ndirect\n0.000000 0.116921 0.414638 Lu\n0.000000 0.883079 0.585362 Lu\n0.000000 0.383079 0.914638 Lu\n0.000000 0.616921 0.085362 Lu\n0.000000 0.243783 0.220772 Lu\n0.000000 0.756217 0.779228 Lu\n0.000000 0.256217 0.720772 Lu\n0.000000 0.743783 0.279228 Lu\n0.000000 0.000000 0.000000 Lu\n0.000000 0.500000 0.500000 Lu\n0.500000 0.424169 0.352211 In\n0.500000 0.575831 0.647789 In\n0.500000 0.075831 0.852211 In\n0.500000 0.924169 0.147789 In\n0.500000 0.291734 0.065768 In\n0.500000 0.708266 0.934232 In\n0.500000 0.208266 0.565768 In\n0.500000 0.791734 0.434232 In\n0.500000 0.026155 0.303413 Pt\n0.500000 0.973845 0.696587 Pt\n0.500000 0.473845 0.803413 Pt\n0.500000 0.526155 0.196587 Pt\n",
"nsites": 22,
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"elements": [
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"In",
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"chemical_system": "In-Lu-Pt",
"density": 11.095403916699748,
"density_atomic": 0.04262654890801253,
"volume": 516.1102778335558,
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"formula_full": "Lu10 In8 Pt4",
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"formula_anonymous": "A2B4C5",
"energy": -109.34226013999998,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:38:13.176000Z",
"spacegroup": 55
},
{
"id": "mp-1147683",
"created_at": "2022-09-04T14:47:55.995903Z",
"structure_string": "La4 Cu3 Te1 O12\n1.0\n-3.976403 3.976403 3.976403\n3.976403 -3.976403 3.976403\n3.976403 3.976403 -3.976403\nLa Cu Te O\n4 3 1 12\ndirect\n0.000000 0.500000 0.000000 La\n0.500000 0.000000 0.000000 La\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 La\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 Cu\n0.000000 0.000000 0.000000 Te\n0.250000 0.750000 0.500000 O\n0.758216 0.000000 0.758216 O\n0.000000 0.758216 0.758216 O\n0.000000 0.241784 0.241784 O\n0.241784 0.241784 0.000000 O\n0.241784 0.000000 0.241784 O\n0.758216 0.758216 0.000000 O\n0.750000 0.250000 0.500000 O\n0.500000 0.250000 0.750000 O\n0.500000 0.750000 0.250000 O\n0.250000 0.500000 0.750000 O\n0.750000 0.500000 0.250000 O\n",
"nsites": 20,
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"elements": [
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"Cu",
"Te",
"O"
],
"chemical_system": "Cu-La-O-Te",
"density": 7.0374465494249545,
"density_atomic": 0.07952411158033428,
"volume": 251.496050726656,
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"formula_full": "La4 Cu3 Te1 O12",
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"formula_anonymous": "AB3C4D12",
"energy": -142.71739053,
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"updated_at": "2021-11-28T01:38:16.524000Z",
"spacegroup": 229
},
{
"id": "mp-1076884",
"created_at": "2022-09-04T14:47:56.004528Z",
"structure_string": "Sr24 Ca8 Fe28 Co4 O80\n1.0\n0.011070 -0.011028 11.064897\n11.461042 0.010745 0.011512\n-5.721535 15.557102 -5.553742\nSr Ca Fe Co O\n24 8 28 4 80\ndirect\n0.306504 0.064275 0.610005 Sr\n0.306151 0.564180 0.610386 Sr\n0.807298 0.064789 0.610414 Sr\n0.807935 0.564445 0.611478 Sr\n0.195258 0.434331 0.388348 Sr\n0.195526 0.437574 0.894005 Sr\n0.195118 0.935130 0.387506 Sr\n0.695327 0.435619 0.387541 Sr\n0.701973 0.437859 0.894008 Sr\n0.695165 0.933764 0.388180 Sr\n0.700621 0.936150 0.895917 Sr\n0.056492 0.290209 0.109635 Sr\n0.058334 0.295583 0.610505 Sr\n0.058144 0.797445 0.611597 Sr\n0.554975 0.295126 0.609198 Sr\n0.558070 0.797773 0.107781 Sr\n0.555792 0.796567 0.610166 Sr\n0.445543 0.202572 0.386112 Sr\n0.449274 0.204911 0.894202 Sr\n0.445346 0.702416 0.386495 Sr\n0.452636 0.711371 0.895850 Sr\n0.943352 0.203369 0.386388 Sr\n0.948793 0.204599 0.894124 Sr\n0.944069 0.702043 0.386581 Sr\n0.301416 0.063543 0.102576 Ca\n0.296577 0.568684 0.104682 Ca\n0.799664 0.060352 0.102450 Ca\n0.805106 0.571642 0.104149 Ca\n0.200858 0.935921 0.898882 Ca\n0.046992 0.789751 0.103919 Ca\n0.552485 0.281802 0.103689 Ca\n0.945811 0.715463 0.897869 Ca\n0.003021 0.998863 0.498033 Fe\n0.003073 0.500312 0.499774 Fe\n0.503238 0.999634 0.498788 Fe\n0.508977 0.503098 0.006372 Fe\n0.504145 0.500275 0.499766 Fe\n0.258220 0.250145 0.004308 Fe\n0.252338 0.248527 0.497764 Fe\n0.254106 0.753211 0.001950 Fe\n0.252211 0.749215 0.498154 Fe\n0.757402 0.252337 0.005939 Fe\n0.754040 0.250357 0.499959 Fe\n0.754272 0.749711 0.500553 Fe\n0.103594 0.084828 0.244844 Fe\n0.110302 0.089442 0.754789 Fe\n0.103577 0.590690 0.245765 Fe\n0.108046 0.597621 0.755284 Fe\n0.602293 0.089473 0.243953 Fe\n0.609632 0.090644 0.752928 Fe\n0.602817 0.583639 0.243052 Fe\n0.610011 0.591526 0.750984 Fe\n0.357148 0.408524 0.245125 Fe\n0.359388 0.412648 0.753400 Fe\n0.350039 0.906791 0.243324 Fe\n0.358377 0.911344 0.756046 Fe\n0.850207 0.406618 0.242999 Fe\n0.859844 0.414259 0.752921 Fe\n0.858300 0.910320 0.247143 Fe\n0.860478 0.906577 0.751629 Fe\n0.008344 0.000057 0.003952 Co\n0.006400 0.504243 0.004133 Co\n0.506755 0.002725 0.002828 Co\n0.757515 0.751639 0.000736 Co\n0.123589 0.122258 0.491490 O\n0.126511 0.114411 0.989314 O\n0.123527 0.621908 0.491606 O\n0.122722 0.626915 0.990755 O\n0.623599 0.121957 0.490718 O\n0.625632 0.123666 0.995278 O\n0.623400 0.621927 0.490661 O\n0.627772 0.619751 0.993097 O\n0.136725 0.382466 0.014248 O\n0.131090 0.377753 0.506884 O\n0.132660 0.882797 0.012108 O\n0.132328 0.877243 0.508199 O\n0.637676 0.380344 0.016332 O\n0.632061 0.377895 0.507422 O\n0.635876 0.887473 0.014403 O\n0.631146 0.877002 0.506348 O\n0.373667 0.119162 0.490888 O\n0.375857 0.117057 0.992375 O\n0.373105 0.619760 0.490974 O\n0.374136 0.618286 0.992635 O\n0.873434 0.119488 0.490841 O\n0.879422 0.113058 0.993025 O\n0.873815 0.619353 0.490759 O\n0.882750 0.620230 0.992417 O\n0.388503 0.383881 0.017666 O\n0.381241 0.379633 0.506412 O\n0.382388 0.888785 0.012239 O\n0.381719 0.879281 0.507195 O\n0.885090 0.383980 0.014598 O\n0.881546 0.379817 0.506315 O\n0.894666 0.887687 0.018167 O\n0.881306 0.879063 0.506421 O\n0.098932 0.101025 0.142748 O\n0.084049 0.093071 0.642574 O\n0.091003 0.605656 0.140402 O\n0.077995 0.595465 0.641118 O\n0.582398 0.096917 0.135009 O\n0.582302 0.095017 0.640772 O\n0.593520 0.601669 0.139483 O\n0.581004 0.594529 0.638388 O\n0.441665 0.406855 0.357813 O\n0.444951 0.403646 0.862508 O\n0.437263 0.906190 0.356699 O\n0.446851 0.911528 0.867331 O\n0.937433 0.407293 0.356382 O\n0.942022 0.399019 0.859724 O\n0.942866 0.907547 0.360043 O\n0.945993 0.889887 0.856727 O\n0.335984 0.282167 0.139768 O\n0.330899 0.296436 0.641168 O\n0.333109 0.784118 0.137778 O\n0.330443 0.795721 0.643640 O\n0.835461 0.279907 0.139388 O\n0.834438 0.299019 0.640353 O\n0.843672 0.784560 0.144809 O\n0.830471 0.794150 0.637785 O\n0.188671 0.200035 0.358365 O\n0.194579 0.209344 0.863690 O\n0.186096 0.703934 0.359055 O\n0.197708 0.716482 0.863247 O\n0.685599 0.204659 0.356404 O\n0.694109 0.206060 0.863749 O\n0.687550 0.698591 0.355840 O\n0.698808 0.707940 0.858479 O\n0.425613 0.056198 0.239099 O\n0.435640 0.059654 0.751778 O\n0.425185 0.559124 0.238537 O\n0.437412 0.563049 0.752770 O\n0.925989 0.060924 0.239972 O\n0.936248 0.059489 0.752101 O\n0.925884 0.556390 0.238615 O\n0.936524 0.571334 0.760327 O\n0.185410 0.442125 0.247978 O\n0.185620 0.445251 0.752862 O\n0.174026 0.928222 0.240656 O\n0.185886 0.938602 0.760194 O\n0.672936 0.427067 0.239126 O\n0.684999 0.438551 0.750253 O\n0.685463 0.942578 0.248513 O\n0.687649 0.940168 0.752358 O\n",
"nsites": 144,
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"elements": [
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],
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"formula_full": "Sr24 Ca8 Fe28 Co4 O80",
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"spacegroup": 1
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{
"id": "mp-29306",
"created_at": "2022-09-04T14:47:56.019393Z",
"structure_string": "B20 H16 N8\n1.0\n3.448050 8.835749 0.000000\n-3.448050 8.835749 0.000000\n0.000000 7.621933 8.894130\nB H N\n20 16 8\ndirect\n0.654979 0.474068 0.206725 B\n0.270098 0.660755 0.899599 B\n0.729902 0.339245 0.100401 B\n0.660755 0.270098 0.399599 B\n0.525932 0.345021 0.293275 B\n0.345021 0.525932 0.793275 B\n0.317318 0.854284 0.782289 B\n0.948129 0.262374 0.127286 B\n0.737626 0.051871 0.372714 B\n0.051871 0.737626 0.872714 B\n0.262374 0.948129 0.627286 B\n0.953594 0.059722 0.319559 B\n0.940278 0.046406 0.180441 B\n0.046406 0.940278 0.680441 B\n0.059722 0.953594 0.819559 B\n0.854284 0.317318 0.282289 B\n0.682682 0.145716 0.217711 B\n0.145716 0.682682 0.717711 B\n0.339245 0.729902 0.600401 B\n0.474068 0.654979 0.706725 B\n0.564131 0.294089 0.521353 H\n0.909619 0.720049 0.977218 H\n0.279951 0.090381 0.522782 H\n0.100487 0.909603 0.373418 H\n0.090397 0.899513 0.126582 H\n0.899513 0.090397 0.626582 H\n0.909603 0.100487 0.873418 H\n0.668053 0.552551 0.667893 H\n0.447449 0.331947 0.832107 H\n0.331947 0.447449 0.332107 H\n0.552551 0.668053 0.167893 H\n0.294089 0.564131 0.021353 H\n0.090381 0.279951 0.022782 H\n0.435869 0.705911 0.478647 H\n0.705911 0.435869 0.978647 H\n0.720049 0.909619 0.477218 H\n0.969202 0.451215 0.326497 N\n0.548785 0.030798 0.173503 N\n0.030798 0.548785 0.673503 N\n0.451215 0.969202 0.826497 N\n0.919996 0.390942 0.307467 N\n0.080004 0.609058 0.692533 N\n0.390942 0.919996 0.807467 N\n0.609058 0.080004 0.192533 N\n",
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"spacegroup": 15
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{
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"structure_string": "Tm3 In1 C1\n1.0\n5.506619 0.000000 0.000000\n0.000000 5.506619 0.000000\n0.000000 0.000000 5.506619\nTm In C\n3 1 1\ndirect\n0.500000 0.000000 0.500000 Tm\n0.500000 0.500000 0.000000 Tm\n0.000000 0.500000 0.500000 Tm\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 C\n",
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{
"id": "mp-1326396",
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"structure_string": "Ca4 Mn4 As4 O20\n1.0\n5.934449 0.000000 0.000000\n0.000000 7.700081 0.000000\n0.000000 0.000000 9.077552\nCa Mn As O\n4 4 4 20\ndirect\n0.977740 0.850615 0.669915 Ca\n0.522260 0.149385 0.169915 Ca\n0.022260 0.350615 0.830085 Ca\n0.477740 0.649385 0.330085 Ca\n0.251991 0.753391 0.996847 Mn\n0.248009 0.246609 0.496847 Mn\n0.748009 0.253391 0.503153 Mn\n0.751991 0.746609 0.003153 Mn\n0.481000 0.110603 0.816015 As\n0.019000 0.889397 0.316015 As\n0.519000 0.610603 0.683985 As\n0.981000 0.389397 0.183985 As\n0.508043 0.929058 0.931331 O\n0.991957 0.070942 0.431331 O\n0.491957 0.429058 0.568669 O\n0.008043 0.570942 0.068669 O\n0.412517 0.273844 0.933798 O\n0.087483 0.726156 0.433798 O\n0.587483 0.773844 0.566202 O\n0.912517 0.226156 0.066202 O\n0.734763 0.135332 0.724226 O\n0.765237 0.864668 0.224226 O\n0.265237 0.635332 0.775774 O\n0.234763 0.364668 0.275774 O\n0.250856 0.094834 0.699745 O\n0.249144 0.905166 0.199745 O\n0.749144 0.594834 0.800255 O\n0.750856 0.405166 0.300255 O\n0.997125 0.868256 0.923114 O\n0.502875 0.131744 0.423114 O\n0.002875 0.368256 0.576886 O\n0.497125 0.631744 0.076886 O\n",
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"formula_full": "Ca4 Mn4 As4 O20",
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