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{
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{
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},
{
"id": "mp-997031",
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"structure_string": "Mg2 Cu2 O4\n1.0\n3.052219 -4.155804 0.000000\n3.052219 4.155804 0.000000\n0.000000 0.000000 3.065109\nMg Cu O\n2 2 4\ndirect\n0.000000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.500000 Cu\n0.000000 0.500000 0.500000 Cu\n0.750000 0.250000 0.096307 O\n0.250000 0.750000 0.903693 O\n0.750000 0.750000 0.500000 O\n0.250000 0.250000 0.500000 O\n",
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],
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"volume": 77.75828388965242,
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"formula_full": "Mg2 Cu2 O4",
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"spacegroup": 67
},
{
"id": "mp-1378086",
"created_at": "2022-09-04T14:47:15.211970Z",
"structure_string": "V4 Zn4 O12\n1.0\n5.150506 0.000000 0.000000\n0.000000 5.153864 0.000000\n0.000000 0.000000 7.643512\nV Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.966442 0.493136 0.750000 Zn\n0.533558 0.993136 0.250000 Zn\n0.466442 0.006864 0.750000 Zn\n0.033558 0.506864 0.250000 Zn\n0.427214 0.613811 0.250000 O\n0.072786 0.113811 0.750000 O\n0.927214 0.886189 0.250000 O\n0.572786 0.386189 0.750000 O\n0.691350 0.829747 0.937865 O\n0.808650 0.329747 0.062135 O\n0.191350 0.670253 0.562135 O\n0.308650 0.170253 0.437865 O\n0.691350 0.829747 0.562135 O\n0.808650 0.329747 0.437865 O\n0.308650 0.170253 0.062135 O\n0.191350 0.670253 0.937865 O\n",
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],
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},
{
"id": "mp-1236902",
"created_at": "2022-09-04T14:47:15.216808Z",
"structure_string": "H8 I6 N2 O18\n1.0\n-0.151250 0.011110 -8.259846\n7.624066 -0.268225 -3.924878\n-1.130544 -7.396508 -3.488240\nH I N O\n8 6 2 18\ndirect\n0.627589 0.227480 0.791450 H\n0.372411 0.772520 0.208550 H\n0.354041 0.119584 0.662379 H\n0.645959 0.880416 0.337621 H\n0.417013 0.415443 0.815976 H\n0.582987 0.584557 0.184024 H\n0.615545 0.323553 0.597075 H\n0.384455 0.676447 0.402925 H\n0.557834 0.175061 0.236436 I\n0.442166 0.824939 0.763564 I\n0.006694 0.740649 0.711167 I\n0.993306 0.259351 0.288833 I\n0.077572 0.704443 0.206215 I\n0.922428 0.295557 0.793785 I\n0.570372 0.346039 0.739114 N\n0.429628 0.653961 0.260886 N\n0.402490 0.200614 0.473205 O\n0.597510 0.799386 0.526795 O\n0.398813 0.185534 0.134119 O\n0.601187 0.814466 0.865881 O\n0.960283 0.829397 0.516380 O\n0.039717 0.170603 0.483620 O\n0.051050 0.514844 0.681973 O\n0.948950 0.485156 0.318027 O\n0.345755 0.548701 0.238601 O\n0.654245 0.451299 0.761399 O\n0.712825 0.914067 0.213117 O\n0.287175 0.085933 0.786883 O\n0.179782 0.597896 0.982571 O\n0.820218 0.402104 0.017429 O\n0.266958 0.709792 0.623125 O\n0.733042 0.290208 0.376875 O\n0.154839 0.880306 0.139324 O\n0.845161 0.119694 0.860676 O\n",
"nsites": 34,
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"elements": [
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"I",
"N",
"O"
],
"chemical_system": "H-I-N-O",
"density": 3.8117272755733462,
"density_atomic": 0.07189929570667378,
"volume": 472.8836307202392,
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"formula_full": "H8 I6 N2 O18",
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"energy": -166.48011307,
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"spacegroup": 2
},
{
"id": "mp-1099665",
"created_at": "2022-09-04T14:47:15.391283Z",
"structure_string": "Sr16 Ca16 Fe8 Co24 O80\n1.0\n-0.013638 -0.005172 10.787133\n11.237521 -0.001924 -0.014183\n-5.614441 15.635666 -5.393327\nSr Ca Fe Co O\n16 16 8 24 80\ndirect\n0.303999 0.565973 0.609251 Sr\n0.806617 0.062190 0.608888 Sr\n0.809732 0.560078 0.610428 Sr\n0.192884 0.438961 0.382358 Sr\n0.202186 0.437762 0.895715 Sr\n0.693802 0.431396 0.383554 Sr\n0.695601 0.931988 0.382200 Sr\n0.699304 0.941896 0.893604 Sr\n0.054164 0.293968 0.609983 Sr\n0.061951 0.797540 0.609406 Sr\n0.558578 0.296571 0.610767 Sr\n0.554529 0.798752 0.610311 Sr\n0.444332 0.202194 0.383456 Sr\n0.452848 0.205745 0.893166 Sr\n0.940964 0.199051 0.384489 Sr\n0.945510 0.202120 0.894203 Sr\n0.301277 0.067711 0.107225 Ca\n0.303524 0.065401 0.607247 Ca\n0.309335 0.565541 0.111336 Ca\n0.804986 0.069837 0.109016 Ca\n0.803482 0.566582 0.111072 Ca\n0.192884 0.928852 0.387881 Ca\n0.196014 0.932118 0.897136 Ca\n0.696380 0.433198 0.898035 Ca\n0.054757 0.289115 0.108402 Ca\n0.056350 0.792498 0.109859 Ca\n0.551891 0.296004 0.107525 Ca\n0.552502 0.788892 0.107608 Ca\n0.440047 0.702430 0.385825 Ca\n0.443010 0.712848 0.895691 Ca\n0.951609 0.705421 0.387519 Ca\n0.950196 0.715654 0.897408 Ca\n0.115103 0.090855 0.756746 Fe\n0.109227 0.596140 0.754427 Fe\n0.609715 0.593487 0.755999 Fe\n0.360561 0.411331 0.752472 Fe\n0.352234 0.904253 0.246435 Fe\n0.358944 0.910868 0.754844 Fe\n0.857818 0.415354 0.759148 Fe\n0.861437 0.907467 0.751627 Fe\n0.009206 0.001924 0.006344 Co\n0.003940 0.997338 0.496049 Co\n0.005660 0.499950 0.004595 Co\n0.001477 0.498702 0.495936 Co\n0.508941 0.004140 0.006134 Co\n0.499242 0.994547 0.492391 Co\n0.508389 0.503099 0.004037 Co\n0.504972 0.501599 0.501051 Co\n0.256745 0.251258 0.004138 Co\n0.251965 0.247684 0.496940 Co\n0.259665 0.752420 0.007217 Co\n0.254716 0.750751 0.497561 Co\n0.761105 0.258299 0.013645 Co\n0.751731 0.247362 0.498443 Co\n0.758376 0.751303 0.002592 Co\n0.753036 0.745477 0.495328 Co\n0.106561 0.089372 0.247002 Co\n0.105588 0.595417 0.243347 Co\n0.604785 0.087672 0.241750 Co\n0.605222 0.098134 0.748501 Co\n0.608369 0.593287 0.246993 Co\n0.353410 0.406819 0.242199 Co\n0.856402 0.409615 0.246589 Co\n0.859372 0.899580 0.243245 Co\n0.119093 0.111102 0.489349 O\n0.128640 0.119858 0.994510 O\n0.118865 0.624284 0.484088 O\n0.131057 0.632482 0.992297 O\n0.617031 0.113848 0.490501 O\n0.629755 0.132847 0.998187 O\n0.615259 0.612050 0.487341 O\n0.631495 0.629560 0.991087 O\n0.132634 0.388441 0.017070 O\n0.135909 0.368644 0.503864 O\n0.137197 0.883322 0.018816 O\n0.140007 0.878708 0.504718 O\n0.640735 0.387915 0.017839 O\n0.631825 0.370498 0.504346 O\n0.631545 0.888259 0.016919 O\n0.634968 0.864268 0.501417 O\n0.362935 0.123016 0.487400 O\n0.378429 0.110144 0.994701 O\n0.370762 0.624352 0.484674 O\n0.381486 0.621821 0.992093 O\n0.869114 0.120665 0.490850 O\n0.877716 0.119747 0.998200 O\n0.869497 0.625887 0.488397 O\n0.882302 0.611940 0.990629 O\n0.388034 0.385103 0.018244 O\n0.385013 0.387069 0.503618 O\n0.381804 0.877004 0.016474 O\n0.384041 0.885660 0.504022 O\n0.883094 0.382006 0.016966 O\n0.880410 0.377229 0.505430 O\n0.885071 0.877286 0.015585 O\n0.890235 0.882386 0.503053 O\n0.095369 0.105015 0.145582 O\n0.096298 0.092490 0.645798 O\n0.086863 0.603819 0.137619 O\n0.080025 0.594375 0.642218 O\n0.586876 0.107619 0.140108 O\n0.578892 0.089442 0.639026 O\n0.589872 0.606951 0.143136 O\n0.581517 0.591027 0.642251 O\n0.432415 0.400086 0.347708 O\n0.449401 0.402549 0.860937 O\n0.440545 0.898048 0.357186 O\n0.448750 0.902267 0.864674 O\n0.932045 0.404945 0.353426 O\n0.948185 0.402633 0.865843 O\n0.941542 0.898792 0.352527 O\n0.951781 0.897749 0.860615 O\n0.332045 0.290802 0.136683 O\n0.333744 0.292682 0.641275 O\n0.339787 0.780265 0.141372 O\n0.332777 0.795903 0.644975 O\n0.846454 0.290083 0.145245 O\n0.832105 0.300351 0.648207 O\n0.842937 0.783324 0.139037 O\n0.831312 0.795501 0.639091 O\n0.184485 0.200649 0.354739 O\n0.195069 0.206033 0.868384 O\n0.192446 0.706103 0.348860 O\n0.204497 0.714728 0.861390 O\n0.681776 0.192490 0.350572 O\n0.683655 0.210616 0.853985 O\n0.697162 0.696925 0.355813 O\n0.707675 0.711544 0.862892 O\n0.422234 0.055922 0.238648 O\n0.422447 0.065087 0.745687 O\n0.427306 0.568916 0.247579 O\n0.431308 0.574804 0.758770 O\n0.924153 0.057063 0.239234 O\n0.935180 0.064741 0.751882 O\n0.926711 0.570037 0.247309 O\n0.932986 0.574501 0.761883 O\n0.172780 0.434391 0.237760 O\n0.182408 0.438113 0.753033 O\n0.173625 0.927376 0.248051 O\n0.182556 0.933907 0.761607 O\n0.673087 0.430574 0.238743 O\n0.678371 0.436521 0.761136 O\n0.677764 0.928526 0.237619 O\n0.685663 0.942521 0.752906 O\n",
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"formula_full": "Sr16 Ca16 Fe8 Co24 O80",
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{
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"structure_string": "Ho1 Tl1 Rh2\n1.0\n0.000000 3.345615 3.345615\n3.345615 0.000000 3.345615\n3.345615 3.345615 0.000000\nHo Tl Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Ho\n0.000000 0.000000 0.000000 Tl\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
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{
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"structure_string": "Sr2 Er1 U1 O6\n1.0\n0.000000 4.328309 4.328309\n4.328309 0.000000 4.328309\n4.328309 4.328309 0.000000\nSr Er U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 U\n0.753529 0.246471 0.246471 O\n0.246471 0.753529 0.753529 O\n0.246471 0.753529 0.246471 O\n0.753529 0.246471 0.753529 O\n0.246471 0.246471 0.753529 O\n0.753529 0.753529 0.246471 O\n",
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{
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{
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{
"id": "mp-1219382",
"created_at": "2022-09-04T14:47:12.235558Z",
"structure_string": "Sm2 Ga18 Co6\n1.0\n2.029375 10.713348 0.000000\n-2.029375 10.713348 0.000000\n0.000000 6.792954 10.008413\nSm Ga Co\n2 18 6\ndirect\n0.966804 0.966804 0.782417 Sm\n0.033196 0.033196 0.217583 Sm\n0.585917 0.585917 0.563951 Ga\n0.414083 0.414083 0.436049 Ga\n0.417062 0.417062 0.227502 Ga\n0.582938 0.582938 0.772498 Ga\n0.795150 0.795150 0.797125 Ga\n0.204850 0.204850 0.202875 Ga\n0.202269 0.202269 0.889812 Ga\n0.797731 0.797731 0.110188 Ga\n0.593421 0.593421 0.973372 Ga\n0.406579 0.406579 0.026628 Ga\n0.401475 0.401475 0.662758 Ga\n0.598525 0.598525 0.337242 Ga\n0.000000 0.000000 0.500000 Ga\n0.000000 0.000000 0.000000 Ga\n0.674473 0.674473 0.072811 Ga\n0.325527 0.325527 0.927189 Ga\n0.190201 0.190201 0.556997 Ga\n0.809799 0.809799 0.443003 Ga\n0.876004 0.876004 0.187738 Co\n0.123996 0.123996 0.812262 Co\n0.124489 0.124489 0.435634 Co\n0.875511 0.875511 0.564366 Co\n0.722057 0.722057 0.363867 Co\n0.277943 0.277943 0.636133 Co\n",
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{
"id": "mp-1184906",
"created_at": "2022-09-04T14:47:17.592524Z",
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}