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{
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{
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{
"id": "mp-578629",
"created_at": "2022-09-04T14:39:30.917328Z",
"structure_string": "Ba8 In16 O32\n1.0\n5.929862 0.000000 0.000000\n0.000000 10.577210 0.000000\n0.000000 5.012543 13.791751\nBa In O\n8 16 32\ndirect\n0.256295 0.920340 0.938817 Ba\n0.242386 0.244690 0.190740 Ba\n0.742386 0.755310 0.309260 Ba\n0.757614 0.755310 0.809260 Ba\n0.243705 0.920340 0.438817 Ba\n0.756295 0.079660 0.561183 Ba\n0.257614 0.244690 0.690740 Ba\n0.743705 0.079660 0.061183 Ba\n0.245708 0.621174 0.693927 In\n0.746139 0.444276 0.053155 In\n0.750797 0.726685 0.070415 In\n0.249203 0.273315 0.929585 In\n0.246139 0.555724 0.446845 In\n0.250797 0.273315 0.429585 In\n0.742557 0.082156 0.313725 In\n0.254292 0.621174 0.193927 In\n0.757443 0.082156 0.813725 In\n0.754292 0.378826 0.306073 In\n0.745708 0.378826 0.806073 In\n0.257443 0.917844 0.686275 In\n0.749203 0.726685 0.570415 In\n0.753861 0.444276 0.553155 In\n0.253861 0.555724 0.946845 In\n0.242557 0.917844 0.186275 In\n0.806644 0.909260 0.946889 O\n0.517171 0.009254 0.231795 O\n0.447702 0.581436 0.565178 O\n0.507306 0.783305 0.655590 O\n0.701598 0.283538 0.682331 O\n0.456840 0.811738 0.114576 O\n0.043160 0.811738 0.614576 O\n0.298402 0.716462 0.317669 O\n0.543160 0.188262 0.885424 O\n0.578760 0.632576 0.979803 O\n0.052298 0.581436 0.065178 O\n0.007306 0.216695 0.844410 O\n0.201598 0.716462 0.817669 O\n0.956840 0.188262 0.385424 O\n0.798402 0.283538 0.182331 O\n0.992694 0.783305 0.155590 O\n0.552298 0.418564 0.434822 O\n0.078760 0.367424 0.520197 O\n0.421240 0.367424 0.020197 O\n0.306644 0.090740 0.553111 O\n0.193356 0.090740 0.053111 O\n0.982829 0.009254 0.731795 O\n0.947702 0.418564 0.934822 O\n0.017171 0.990746 0.268205 O\n0.492694 0.216695 0.344410 O\n0.693356 0.909260 0.446889 O\n0.903833 0.539817 0.691689 O\n0.921240 0.632576 0.479803 O\n0.482829 0.990746 0.768205 O\n0.403833 0.460183 0.808311 O\n0.096167 0.460183 0.308311 O\n0.596167 0.539817 0.191689 O\n",
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"spacegroup": 14
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{
"id": "mp-1219825",
"created_at": "2022-09-04T14:39:47.439937Z",
"structure_string": "Ni7 Ge4\n1.0\n-1.984611 -3.436044 0.000000\n-1.968612 3.426803 -5.000943\n1.968612 -3.426803 -5.000943\nNi Ge\n7 4\ndirect\n0.005811 0.133653 0.121996 Ni\n0.997136 0.622904 0.628247 Ni\n0.005811 0.378004 0.366347 Ni\n0.997136 0.871753 0.877096 Ni\n0.335065 0.085239 0.414761 Ni\n0.666420 0.662612 0.329286 Ni\n0.666420 0.170714 0.837388 Ni\n0.332728 0.830770 0.165152 Ge\n0.332728 0.334848 0.669230 Ge\n0.684684 0.433581 0.066419 Ge\n0.642762 0.892573 0.607427 Ge\n",
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"volume": 135.67666759001384,
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"formula_full": "Ni7 Ge4",
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"updated_at": "2021-11-28T01:34:23.809000Z",
"spacegroup": 44
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{
"id": "mp-1110976",
"created_at": "2022-09-04T14:39:15.867113Z",
"structure_string": "Cs2 Li1 Bi1 F6\n1.0\n0.000000 4.542131 4.542131\n4.542131 0.000000 4.542131\n4.542131 4.542131 0.000000\nCs Li Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Li\n0.000000 0.000000 0.000000 Bi\n0.746947 0.253053 0.253053 F\n0.253053 0.253053 0.746947 F\n0.253053 0.746947 0.746947 F\n0.253053 0.746947 0.253053 F\n0.746947 0.253053 0.746947 F\n0.746947 0.746947 0.253053 F\n",
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"volume": 187.41699163818012,
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"formula_full": "Cs2 Li1 Bi1 F6",
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"formula_anonymous": "ABC2D6",
"energy": -48.32720519,
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{
"id": "mp-1204388",
"created_at": "2022-09-04T14:39:39.876978Z",
"structure_string": "La8 Mo8 Cl8 O32\n1.0\n5.903185 0.000000 0.000000\n0.000000 8.076672 0.000000\n0.000000 0.000885 19.423280\nLa Mo Cl O\n8 8 8 32\ndirect\n0.699449 0.373148 0.104432 La\n0.199449 0.126852 0.895568 La\n0.300551 0.626852 0.895568 La\n0.800551 0.873148 0.104432 La\n0.700941 0.377675 0.604628 La\n0.200941 0.122325 0.395372 La\n0.299059 0.622325 0.395372 La\n0.799059 0.877675 0.604628 La\n0.748036 0.409973 0.821440 Mo\n0.248036 0.090027 0.178560 Mo\n0.251964 0.590027 0.178560 Mo\n0.751964 0.909973 0.821440 Mo\n0.756268 0.340960 0.321151 Mo\n0.256268 0.159040 0.678849 Mo\n0.243732 0.659040 0.678849 Mo\n0.743732 0.840960 0.321151 Mo\n0.760240 0.124420 0.988587 Cl\n0.260240 0.375580 0.011413 Cl\n0.239760 0.875580 0.011413 Cl\n0.739760 0.624420 0.988587 Cl\n0.759498 0.126991 0.488537 Cl\n0.259498 0.373009 0.511463 Cl\n0.240502 0.873009 0.511463 Cl\n0.740502 0.626991 0.488537 Cl\n0.766682 0.374014 0.731324 O\n0.266682 0.125986 0.268676 O\n0.233318 0.625986 0.268676 O\n0.733318 0.874014 0.731324 O\n0.814173 0.128696 0.827718 O\n0.314173 0.371304 0.172282 O\n0.185827 0.871304 0.172282 O\n0.685827 0.628696 0.827718 O\n0.986184 0.152651 0.134976 O\n0.486184 0.347349 0.865024 O\n0.013816 0.847349 0.865024 O\n0.513816 0.652651 0.134976 O\n0.520300 0.100180 0.132603 O\n0.020300 0.399820 0.867397 O\n0.479700 0.899820 0.867397 O\n0.979700 0.600180 0.132603 O\n0.760145 0.379514 0.231270 O\n0.260145 0.120486 0.768730 O\n0.239855 0.620486 0.768730 O\n0.739855 0.879514 0.231270 O\n0.816138 0.121843 0.327098 O\n0.316138 0.378157 0.672902 O\n0.183862 0.878157 0.672902 O\n0.683862 0.621843 0.327098 O\n0.979263 0.150222 0.635504 O\n0.479263 0.349778 0.364496 O\n0.020737 0.849778 0.364496 O\n0.520737 0.650222 0.635504 O\n0.513142 0.097018 0.632379 O\n0.013142 0.402982 0.367621 O\n0.486858 0.902982 0.367621 O\n0.986858 0.597018 0.632379 O\n",
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{
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{
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"created_at": "2022-09-04T14:39:19.540101Z",
"structure_string": "Rb2 Mn2 P6 H2 O20\n1.0\n4.240953 6.204578 0.000000\n-4.240953 6.204578 0.000000\n0.000000 3.091003 8.736224\nRb Mn P H O\n2 2 6 2 20\ndirect\n0.438482 0.561518 0.750000 Rb\n0.561518 0.438482 0.250000 Rb\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.000000 Mn\n0.870037 0.129963 0.750000 P\n0.129963 0.870037 0.250000 P\n0.268238 0.144366 0.706051 P\n0.855634 0.731762 0.793949 P\n0.731762 0.855634 0.293949 P\n0.144366 0.268238 0.206051 P\n0.000000 0.500000 0.000000 H\n0.500000 0.000000 0.500000 H\n0.845875 0.287485 0.609139 O\n0.712515 0.154125 0.890861 O\n0.154125 0.712515 0.390861 O\n0.287485 0.845875 0.109139 O\n0.369159 0.150388 0.825266 O\n0.849612 0.630841 0.674734 O\n0.630841 0.849612 0.174734 O\n0.150388 0.369159 0.325266 O\n0.095649 0.070372 0.301197 O\n0.929628 0.904351 0.198803 O\n0.904351 0.929628 0.698803 O\n0.070372 0.095649 0.801197 O\n0.350283 0.216045 0.105884 O\n0.783955 0.649717 0.394116 O\n0.649717 0.783955 0.894116 O\n0.216045 0.350283 0.605884 O\n0.981787 0.378490 0.114445 O\n0.621510 0.018213 0.385555 O\n0.018213 0.621510 0.885555 O\n0.378490 0.981787 0.614445 O\n",
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{
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"structure_string": "K2 Pr2 W4 O16\n1.0\n5.500136 5.206283 0.000000\n-5.500136 5.206283 0.000000\n0.000000 4.468827 6.181616\nK Pr W O\n2 2 4 16\ndirect\n0.690051 0.690051 0.472343 K\n0.309949 0.309949 0.527657 K\n0.699805 0.300195 0.000000 Pr\n0.300195 0.699805 0.000000 Pr\n0.204751 0.204751 0.056295 W\n0.795249 0.795249 0.943705 W\n0.839292 0.160708 0.500000 W\n0.160708 0.839292 0.500000 W\n0.345378 0.094701 0.259868 O\n0.654622 0.905299 0.740132 O\n0.905299 0.654622 0.740132 O\n0.094701 0.345378 0.259868 O\n0.692871 0.214658 0.354592 O\n0.307129 0.785342 0.645408 O\n0.785342 0.307129 0.645408 O\n0.214658 0.692871 0.354592 O\n0.705764 0.958649 0.063742 O\n0.294236 0.041351 0.936258 O\n0.041351 0.294236 0.936258 O\n0.958649 0.705764 0.063742 O\n0.983801 0.983801 0.344241 O\n0.016199 0.016199 0.655759 O\n0.573360 0.573360 0.110117 O\n0.426640 0.426640 0.889883 O\n",
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{
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{
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}