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{
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"results": [
{
"id": "mp-1191189",
"created_at": "2022-09-04T14:47:21.243479Z",
"structure_string": "Cd4 Sb4 O14\n1.0\n0.000000 5.224368 5.224368\n5.224368 0.000000 5.224368\n5.224368 5.224368 0.000000\nCd Sb O\n4 4 14\ndirect\n0.625000 0.125000 0.125000 Cd\n0.125000 0.625000 0.125000 Cd\n0.125000 0.125000 0.625000 Cd\n0.125000 0.125000 0.125000 Cd\n0.125000 0.625000 0.625000 Sb\n0.625000 0.125000 0.625000 Sb\n0.625000 0.625000 0.125000 Sb\n0.625000 0.625000 0.625000 Sb\n0.699022 0.699022 0.300978 O\n0.300978 0.300978 0.699022 O\n0.699022 0.300978 0.699022 O\n0.300978 0.699022 0.300978 O\n0.300978 0.699022 0.699022 O\n0.699022 0.300978 0.300978 O\n0.550978 0.550978 0.949022 O\n0.949022 0.949022 0.550978 O\n0.550978 0.949022 0.550978 O\n0.949022 0.550978 0.949022 O\n0.949022 0.550978 0.550978 O\n0.550978 0.949022 0.949022 O\n0.250000 0.250000 0.250000 O\n0.000000 0.000000 0.000000 O\n",
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{
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"structure_string": "Yb1 Ce1 Mg2\n1.0\n0.000000 3.887187 3.887187\n3.887187 0.000000 3.887187\n3.887187 3.887187 0.000000\nYb Ce Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ce\n0.250000 0.250000 0.250000 Mg\n0.750000 0.750000 0.750000 Mg\n",
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{
"id": "mp-554627",
"created_at": "2022-09-04T14:47:21.258240Z",
"structure_string": "Cu12 P2 S10 Br2\n1.0\n3.422757 5.911882 0.000000\n-3.422757 5.911882 0.000000\n0.000000 3.922698 11.261280\nCu P S Br\n12 2 10 2\ndirect\n0.028313 0.960472 0.893142 Cu\n0.268459 0.365163 0.614066 Cu\n0.999110 0.534561 0.883702 Cu\n0.365163 0.268459 0.114066 Cu\n0.461402 0.496105 0.888705 Cu\n0.534561 0.999110 0.383702 Cu\n0.845859 0.146316 0.612744 Cu\n0.772349 0.622758 0.111371 Cu\n0.622758 0.772349 0.611371 Cu\n0.146316 0.845859 0.112744 Cu\n0.496105 0.461402 0.388705 Cu\n0.960472 0.028313 0.393142 Cu\n0.999733 0.500596 0.375655 P\n0.500596 0.999733 0.875655 P\n0.936687 0.442497 0.560480 S\n0.442497 0.936687 0.060480 S\n0.199752 0.193531 0.312366 S\n0.702271 0.169219 0.812659 S\n0.169219 0.702271 0.312659 S\n0.193531 0.199752 0.812366 S\n0.694782 0.669272 0.310259 S\n0.121714 0.615886 0.014241 S\n0.615886 0.121714 0.514241 S\n0.669272 0.694782 0.810259 S\n0.751465 0.245716 0.127741 Br\n0.245716 0.751465 0.627741 Br\n",
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"formula_full": "Cu12 P2 S10 Br2",
"formula_reduced": "Cu6PS5Br",
"formula_anonymous": "ABC5D6",
"energy": -116.84162934,
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"spacegroup": 9
},
{
"id": "mp-6724",
"created_at": "2022-09-04T14:47:21.262756Z",
"structure_string": "K8 Cd8 S12 O48\n1.0\n10.378649 0.000000 0.000000\n0.000000 10.417683 0.000000\n0.000000 0.000000 10.483353\nK Cd S O\n8 8 12 48\ndirect\n0.420106 0.556121 0.062574 K\n0.079894 0.443879 0.562574 K\n0.786297 0.312511 0.188529 K\n0.920106 0.943879 0.937426 K\n0.713703 0.687489 0.688529 K\n0.286297 0.187489 0.811471 K\n0.213703 0.812511 0.311471 K\n0.579894 0.056121 0.437426 K\n0.444626 0.415937 0.406562 Cd\n0.555374 0.915937 0.093438 Cd\n0.944626 0.084063 0.593438 Cd\n0.055374 0.584063 0.906562 Cd\n0.353829 0.823524 0.663152 Cd\n0.853829 0.676476 0.336848 Cd\n0.146171 0.176476 0.163152 Cd\n0.646171 0.323524 0.836848 Cd\n0.747939 0.618520 0.032619 S\n0.252061 0.118520 0.467381 S\n0.247939 0.881480 0.967381 S\n0.752061 0.381480 0.532619 S\n0.135373 0.497466 0.239653 S\n0.864627 0.997466 0.260347 S\n0.635373 0.002534 0.760347 S\n0.364627 0.502534 0.739653 S\n0.965303 0.276161 0.879098 S\n0.534697 0.723839 0.379098 S\n0.465303 0.223839 0.120902 S\n0.034697 0.776161 0.620902 S\n0.851892 0.674302 0.950131 O\n0.148108 0.174302 0.549869 O\n0.351892 0.825698 0.049869 O\n0.648108 0.325698 0.450131 O\n0.683500 0.509361 0.967504 O\n0.316500 0.009361 0.532496 O\n0.183500 0.990639 0.032496 O\n0.816500 0.490639 0.467504 O\n0.650087 0.718327 0.059870 O\n0.349913 0.218327 0.440130 O\n0.150087 0.781673 0.940130 O\n0.849913 0.281673 0.559870 O\n0.806529 0.569671 0.154060 O\n0.193471 0.069671 0.345940 O\n0.306529 0.930329 0.845940 O\n0.693471 0.430329 0.654060 O\n0.076223 0.367999 0.257160 O\n0.923777 0.867999 0.242840 O\n0.059229 0.592464 0.315664 O\n0.576223 0.132001 0.742840 O\n0.269703 0.500161 0.290026 O\n0.730297 0.000161 0.209974 O\n0.769703 0.999839 0.709974 O\n0.230297 0.499839 0.790026 O\n0.141676 0.536681 0.103229 O\n0.858324 0.036681 0.396771 O\n0.641676 0.963319 0.896771 O\n0.358324 0.463319 0.603229 O\n0.445467 0.720306 0.489182 O\n0.554533 0.220306 0.010818 O\n0.945467 0.779694 0.510818 O\n0.054533 0.279694 0.989182 O\n0.668272 0.755479 0.423992 O\n0.331728 0.255479 0.076008 O\n0.168272 0.744521 0.576008 O\n0.831728 0.244521 0.923992 O\n0.489648 0.824966 0.288779 O\n0.510352 0.324966 0.211221 O\n0.989648 0.675034 0.711221 O\n0.010352 0.175034 0.788779 O\n0.534990 0.595336 0.315620 O\n0.465010 0.095336 0.184380 O\n0.034990 0.904664 0.684380 O\n0.965010 0.404664 0.815620 O\n0.440771 0.407536 0.815664 O\n0.559229 0.907536 0.684336 O\n0.940771 0.092464 0.184336 O\n0.423777 0.632001 0.757160 O\n",
"nsites": 76,
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"elements": [
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"S",
"O"
],
"chemical_system": "Cd-K-O-S",
"density": 3.464463921813925,
"density_atomic": 0.0670504072087153,
"volume": 1133.4755919293123,
"volume_molar": 8.98151258239821,
"formula_full": "K8 Cd8 S12 O48",
"formula_reduced": "K2Cd2(SO4)3",
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"energy": -456.11263092,
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"updated_at": "2021-11-28T01:38:08.116000Z",
"spacegroup": 19
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{
"id": "mp-1181348",
"created_at": "2022-09-04T14:47:21.272593Z",
"structure_string": "H8 C4 O8\n1.0\n3.492439 0.000000 0.000000\n0.000000 7.420510 0.000000\n0.000000 0.000000 9.056346\nH C O\n8 4 8\ndirect\n0.574129 0.822813 0.419751 H\n0.425871 0.322813 0.580249 H\n0.074129 0.322813 0.080249 H\n0.925871 0.822813 0.919751 H\n0.268753 0.118954 0.752418 H\n0.731247 0.618954 0.247582 H\n0.768753 0.618954 0.747582 H\n0.231247 0.118954 0.252418 H\n0.400784 0.179271 0.548116 C\n0.599216 0.679271 0.451884 C\n0.900784 0.679271 0.951884 C\n0.099216 0.179271 0.048116 C\n0.447184 0.127694 0.420256 O\n0.552816 0.627694 0.579744 O\n0.947184 0.627694 0.079744 O\n0.052816 0.127694 0.920256 O\n0.324987 0.062279 0.654591 O\n0.675013 0.562279 0.345409 O\n0.824987 0.562279 0.845409 O\n0.175013 0.062279 0.154591 O\n",
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"formula_full": "H8 C4 O8",
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{
"id": "mp-23005",
"created_at": "2022-09-04T14:47:21.275727Z",
"structure_string": "Bi4 Te7 Pb1\n1.0\n2.237453 -3.875382 0.000000\n2.237453 3.875382 0.000000\n0.000000 0.000000 24.664143\nBi Te Pb\n4 7 1\ndirect\n0.333333 0.666667 0.836182 Bi\n0.666667 0.333333 0.417725 Bi\n0.666667 0.333333 0.163818 Bi\n0.333333 0.666667 0.582275 Bi\n0.666667 0.333333 0.651437 Te\n0.333333 0.666667 0.080887 Te\n0.000000 0.000000 0.232818 Te\n0.333333 0.666667 0.348563 Te\n0.666667 0.333333 0.919113 Te\n0.000000 0.000000 0.500000 Te\n0.000000 0.000000 0.767182 Te\n0.000000 0.000000 0.000000 Pb\n",
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{
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"structure_string": "Fe8 O6 F10\n1.0\n3.260340 -3.507125 0.000000\n3.260340 3.507125 0.000000\n0.000000 0.000000 12.376198\nFe O F\n8 6 10\ndirect\n0.000000 0.000000 0.000000 Fe\n0.973648 0.973648 0.250000 Fe\n0.000000 0.000000 0.500000 Fe\n0.026352 0.026352 0.750000 Fe\n0.509523 0.509523 0.119028 Fe\n0.490477 0.490477 0.619028 Fe\n0.490477 0.490477 0.880972 Fe\n0.509523 0.509523 0.380972 Fe\n0.298189 0.298189 0.002584 O\n0.298189 0.298189 0.497416 O\n0.328734 0.328734 0.750000 O\n0.701811 0.701811 0.997416 O\n0.671266 0.671266 0.250000 O\n0.701811 0.701811 0.502584 O\n0.795814 0.197136 0.119621 F\n0.802864 0.204186 0.880379 F\n0.795814 0.197136 0.380379 F\n0.802864 0.204186 0.619621 F\n0.287551 0.287551 0.250000 F\n0.712449 0.712449 0.750000 F\n0.197136 0.795814 0.380379 F\n0.204186 0.802864 0.619621 F\n0.197136 0.795814 0.119621 F\n0.204186 0.802864 0.880379 F\n",
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{
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"structure_string": "Li20 Si2 P4 O24\n1.0\n6.995757 0.000000 0.000000\n-0.014093 7.000207 0.000000\n-0.052534 -0.167229 10.652578\nLi Si P O\n20 2 4 24\ndirect\n0.985683 0.480723 0.064338 Li\n0.951748 0.480602 0.575298 Li\n0.524797 0.041904 0.438971 Li\n0.490734 0.990968 0.941456 Li\n0.264029 0.728844 0.844875 Li\n0.731825 0.266377 0.718981 Li\n0.200978 0.167599 0.253871 Li\n0.217318 0.242701 0.746939 Li\n0.754285 0.759714 0.644372 Li\n0.454767 0.475222 0.255329 Li\n0.230711 0.735814 0.621223 Li\n0.758391 0.750796 0.135782 Li\n0.221714 0.221930 0.000647 Li\n0.746223 0.757841 0.873050 Li\n0.762426 0.253372 0.309402 Li\n0.183355 0.764487 0.082137 Li\n0.772722 0.215039 0.994139 Li\n0.277505 0.302382 0.508953 Li\n0.752599 0.780077 0.371477 Li\n0.263236 0.794426 0.347643 Li\n0.997154 0.509618 0.824036 Si\n0.504919 0.009946 0.184946 Si\n0.995701 0.033954 0.501334 P\n0.495271 0.490344 0.004959 P\n0.013599 0.515671 0.314381 P\n0.485692 0.995729 0.685988 P\n0.991835 0.837116 0.565725 O\n0.009299 0.206895 0.594462 O\n0.314710 0.489929 0.091787 O\n0.682462 0.487550 0.086584 O\n0.488995 0.305121 0.922582 O\n0.493559 0.680335 0.931498 O\n0.178490 0.045264 0.416768 O\n0.809852 0.045451 0.420782 O\n0.010871 0.684133 0.931362 O\n0.001857 0.305822 0.901243 O\n0.206122 0.514700 0.390233 O\n0.837744 0.512173 0.403481 O\n0.476466 0.194112 0.621781 O\n0.491756 0.835716 0.582524 O\n0.300117 0.010550 0.105170 O\n0.683182 0.002198 0.085524 O\n0.998153 0.338579 0.225287 O\n0.005233 0.702774 0.235646 O\n0.803612 0.533821 0.737310 O\n0.179111 0.524643 0.726626 O\n0.519579 0.817282 0.275294 O\n0.497071 0.199158 0.280905 O\n0.670968 0.982630 0.767931 O\n0.308974 0.970865 0.771769 O\n",
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{
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"structure_string": "Hf2 V2 Ge2\n1.0\n3.692903 0.000000 0.000000\n0.000000 3.692903 0.000000\n0.000000 0.000000 7.298902\nHf V Ge\n2 2 2\ndirect\n0.000000 0.500000 0.362546 Hf\n0.500000 0.000000 0.637454 Hf\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.500000 0.750633 Ge\n0.500000 0.000000 0.249367 Ge\n",
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{
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"formula_full": "Ba2 Sr1 U1 O6",
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{
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}