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{
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"results": [
{
"id": "mp-1041485",
"created_at": "2022-09-04T14:42:16.155202Z",
"structure_string": "Mg2 Ag4 O8\n1.0\n-3.257548 3.360113 3.991748\n3.257548 -3.360113 3.991748\n3.257548 3.360113 -3.991748\nMg Ag O\n2 4 8\ndirect\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.598795 0.848795 0.750000 Ag\n0.401205 0.151205 0.250000 Ag\n0.000000 0.500000 0.500000 Ag\n0.500000 0.500000 0.000000 Ag\n0.795536 0.243913 0.551623 O\n0.264044 0.719967 0.955923 O\n0.192290 0.243913 0.948377 O\n0.264044 0.308121 0.544077 O\n0.735956 0.691879 0.455923 O\n0.735956 0.280033 0.044077 O\n0.807710 0.756087 0.051623 O\n0.204464 0.756087 0.448377 O\n",
"nsites": 14,
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"elements": [
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"Ag",
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],
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"density": 5.777508249075104,
"density_atomic": 0.08010511003854962,
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"formula_full": "Mg2 Ag4 O8",
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"energy": -68.7096911,
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"updated_at": "2021-11-28T01:35:39.855000Z",
"spacegroup": 74
},
{
"id": "mp-1041482",
"created_at": "2022-09-04T14:39:30.798204Z",
"structure_string": "Zn8 Si16 Sn8 O48\n1.0\n5.447991 0.000000 0.000000\n0.000000 9.375474 0.000000\n0.000000 0.000000 19.414786\nZn Si Sn O\n8 16 8 48\ndirect\n0.617419 0.142457 0.374183 Zn\n0.382581 0.857543 0.625817 Zn\n0.617419 0.642457 0.125817 Zn\n0.117419 0.857543 0.125817 Zn\n0.882581 0.142457 0.874183 Zn\n0.382581 0.357543 0.874183 Zn\n0.117419 0.357543 0.374183 Zn\n0.882581 0.642457 0.625817 Zn\n0.533630 0.661694 0.764947 Si\n0.692291 0.837068 0.482698 Si\n0.807709 0.837068 0.982698 Si\n0.966370 0.161694 0.235053 Si\n0.033630 0.338306 0.735053 Si\n0.466370 0.838306 0.264947 Si\n0.192291 0.662932 0.482698 Si\n0.692291 0.337068 0.017302 Si\n0.807709 0.337068 0.517302 Si\n0.966370 0.661694 0.264947 Si\n0.466370 0.338306 0.235053 Si\n0.533630 0.161694 0.735053 Si\n0.307709 0.162932 0.517302 Si\n0.033630 0.838306 0.764947 Si\n0.307709 0.662932 0.982698 Si\n0.192291 0.162932 0.017302 Si\n0.380232 0.973974 0.880359 Sn\n0.619768 0.026026 0.119641 Sn\n0.880232 0.026026 0.619641 Sn\n0.119768 0.973974 0.380359 Sn\n0.380232 0.473974 0.619641 Sn\n0.619768 0.526026 0.380359 Sn\n0.880232 0.526026 0.880359 Sn\n0.119768 0.473974 0.119641 Sn\n0.954016 0.507943 0.303522 O\n0.229402 0.008429 0.052807 O\n0.045984 0.492057 0.696478 O\n0.704728 0.331490 0.931910 O\n0.204728 0.168510 0.931910 O\n0.929805 0.235987 0.042850 O\n0.953004 0.661236 0.179561 O\n0.046996 0.838764 0.679561 O\n0.704728 0.831490 0.568090 O\n0.953004 0.161236 0.320439 O\n0.454016 0.492057 0.196478 O\n0.795272 0.331490 0.431910 O\n0.770598 0.991571 0.947193 O\n0.453004 0.838764 0.179561 O\n0.545984 0.007943 0.696478 O\n0.229402 0.508429 0.447193 O\n0.454016 0.992057 0.303522 O\n0.219835 0.745608 0.289306 O\n0.280165 0.745608 0.789306 O\n0.570195 0.735987 0.957150 O\n0.795272 0.831490 0.068090 O\n0.546996 0.661236 0.679561 O\n0.729402 0.491571 0.052807 O\n0.219835 0.245608 0.210694 O\n0.295272 0.168510 0.431910 O\n0.546996 0.161236 0.820439 O\n0.770598 0.491571 0.552807 O\n0.204728 0.668510 0.568090 O\n0.270598 0.508429 0.947193 O\n0.719835 0.754392 0.289306 O\n0.045984 0.992057 0.803522 O\n0.780165 0.754392 0.789306 O\n0.780165 0.254392 0.710694 O\n0.729402 0.991571 0.447193 O\n0.295272 0.668510 0.068090 O\n0.270598 0.008429 0.552807 O\n0.280165 0.245608 0.710694 O\n0.070195 0.764013 0.957150 O\n0.429805 0.764013 0.457150 O\n0.719835 0.254392 0.210694 O\n0.429805 0.264013 0.042850 O\n0.570195 0.235987 0.542850 O\n0.070195 0.264013 0.542850 O\n0.453004 0.338764 0.320439 O\n0.545984 0.507943 0.803522 O\n0.929805 0.735987 0.457150 O\n0.046996 0.338764 0.820439 O\n0.954016 0.007943 0.196478 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Zn",
"Si",
"Sn",
"O"
],
"chemical_system": "O-Si-Sn-Zn",
"density": 4.504910481463488,
"density_atomic": 0.08067291760816901,
"volume": 991.6586925560645,
"volume_molar": 7.464885290562731,
"formula_full": "Zn8 Si16 Sn8 O48",
"formula_reduced": "ZnSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy": -570.74344181,
"energy_per_atom": -7.134293022625,
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"energy_uncorrected": -537.76744181,
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"updated_at": "2021-11-28T01:34:35.126000Z",
"spacegroup": 61
},
{
"id": "mp-1041481",
"created_at": "2022-09-04T14:40:27.335273Z",
"structure_string": "Cu6 Te12 O42\n1.0\n9.542645 0.000000 0.000000\n0.000000 10.626136 0.000000\n0.000000 0.849633 11.130661\nCu Te O\n6 12 42\ndirect\n0.936910 0.409513 0.196080 Cu\n0.063090 0.590487 0.803920 Cu\n0.435181 0.250000 0.500000 Cu\n0.936910 0.090487 0.803920 Cu\n0.564819 0.750000 0.500000 Cu\n0.063090 0.909513 0.196080 Cu\n0.211899 0.293132 0.833704 Te\n0.754874 0.377642 0.838263 Te\n0.245126 0.877642 0.838263 Te\n0.788101 0.793132 0.833704 Te\n0.284549 0.958460 0.522120 Te\n0.754874 0.122358 0.161737 Te\n0.715451 0.458460 0.522120 Te\n0.245126 0.622358 0.161737 Te\n0.284549 0.541540 0.477880 Te\n0.715451 0.041540 0.477880 Te\n0.788101 0.706868 0.166296 Te\n0.211899 0.206868 0.166296 Te\n0.788519 0.967686 0.805269 O\n0.782644 0.294187 0.173732 O\n0.853635 0.750000 0.000000 O\n0.886867 0.108790 0.494582 O\n0.369754 0.583027 0.049831 O\n0.934552 0.720311 0.753619 O\n0.343677 0.937740 0.690256 O\n0.113133 0.608790 0.494582 O\n0.715646 0.868596 0.517390 O\n0.369754 0.916973 0.950169 O\n0.715646 0.631404 0.482610 O\n0.433101 0.880673 0.448811 O\n0.925073 0.038297 0.150622 O\n0.065448 0.220311 0.753619 O\n0.656323 0.062260 0.309744 O\n0.343677 0.562260 0.309744 O\n0.934552 0.779689 0.246381 O\n0.630246 0.416973 0.950169 O\n0.211481 0.467686 0.805269 O\n0.566899 0.119327 0.551189 O\n0.381856 0.272418 0.194375 O\n0.284354 0.131404 0.482610 O\n0.074927 0.538297 0.150622 O\n0.284354 0.368596 0.517390 O\n0.886867 0.391210 0.505418 O\n0.566899 0.380673 0.448811 O\n0.113133 0.891210 0.505418 O\n0.618144 0.772418 0.194375 O\n0.618144 0.727582 0.805625 O\n0.074927 0.961703 0.849378 O\n0.065448 0.279689 0.246381 O\n0.788519 0.532314 0.194731 O\n0.146365 0.250000 0.000000 O\n0.217356 0.794187 0.173732 O\n0.630246 0.083027 0.049831 O\n0.925073 0.461703 0.849378 O\n0.211481 0.032314 0.194731 O\n0.782644 0.205813 0.826268 O\n0.433101 0.619327 0.551189 O\n0.656323 0.437740 0.690256 O\n0.217356 0.705813 0.826268 O\n0.381856 0.227582 0.805625 O\n",
"nsites": 60,
"nelements": 3,
"elements": [
"Cu",
"Te",
"O"
],
"chemical_system": "Cu-O-Te",
"density": 3.8023515962686503,
"density_atomic": 0.053160144986285685,
"volume": 1128.6650932851833,
"volume_molar": 11.328300104436508,
"formula_full": "Cu6 Te12 O42",
"formula_reduced": "CuTe2O7",
"formula_anonymous": "AB2C7",
"energy": -331.14230195,
"energy_per_atom": -5.5190383658333335,
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"updated_at": "2021-11-28T01:35:02.503000Z",
"spacegroup": 13
},
{
"id": "mp-1041480",
"created_at": "2022-09-04T14:40:41.260055Z",
"structure_string": "Mg8 Si16 Sn8 O48\n1.0\n5.447004 0.000000 0.000000\n0.000000 9.252499 0.000000\n0.000000 0.000000 19.416052\nMg Si Sn O\n8 16 8 48\ndirect\n0.620366 0.148396 0.374520 Mg\n0.379634 0.851604 0.625480 Mg\n0.620366 0.648396 0.125480 Mg\n0.120366 0.851604 0.125480 Mg\n0.879634 0.148396 0.874520 Mg\n0.379634 0.351604 0.874520 Mg\n0.120366 0.351604 0.374520 Mg\n0.879634 0.648396 0.625480 Mg\n0.523592 0.660097 0.765186 Si\n0.695830 0.838784 0.483814 Si\n0.804170 0.838784 0.983814 Si\n0.976408 0.160097 0.234814 Si\n0.023592 0.339903 0.734814 Si\n0.476408 0.839903 0.265186 Si\n0.195830 0.661216 0.483814 Si\n0.695830 0.338784 0.016186 Si\n0.804170 0.338784 0.516186 Si\n0.976408 0.660097 0.265186 Si\n0.476408 0.339903 0.234814 Si\n0.523592 0.160097 0.734814 Si\n0.304170 0.161216 0.516186 Si\n0.023592 0.839903 0.765186 Si\n0.304170 0.661216 0.983814 Si\n0.195830 0.161216 0.016186 Si\n0.378114 0.968588 0.879741 Sn\n0.621886 0.031412 0.120259 Sn\n0.878114 0.031412 0.620259 Sn\n0.121886 0.968588 0.379741 Sn\n0.378114 0.468588 0.620259 Sn\n0.621886 0.531412 0.379741 Sn\n0.878114 0.531412 0.879741 Sn\n0.121886 0.468588 0.120259 Sn\n0.964118 0.506212 0.305311 O\n0.229936 0.006749 0.053568 O\n0.035882 0.493788 0.694689 O\n0.705527 0.331442 0.930813 O\n0.205527 0.168558 0.930813 O\n0.932529 0.235550 0.041307 O\n0.958706 0.660926 0.180034 O\n0.041294 0.839074 0.680034 O\n0.705527 0.831442 0.569187 O\n0.958706 0.160926 0.319966 O\n0.464118 0.493788 0.194689 O\n0.794473 0.331442 0.430813 O\n0.770064 0.993251 0.946432 O\n0.458706 0.839074 0.180034 O\n0.535882 0.006212 0.694689 O\n0.229936 0.506749 0.446432 O\n0.464118 0.993788 0.305311 O\n0.231878 0.743664 0.289439 O\n0.268122 0.743664 0.789439 O\n0.567471 0.735550 0.958693 O\n0.794473 0.831442 0.069187 O\n0.541294 0.660926 0.680034 O\n0.729936 0.493251 0.053568 O\n0.231878 0.243664 0.210561 O\n0.294473 0.168558 0.430813 O\n0.541294 0.160926 0.819966 O\n0.770064 0.493251 0.553568 O\n0.205527 0.668558 0.569187 O\n0.270064 0.506749 0.946432 O\n0.731878 0.756336 0.289439 O\n0.035882 0.993788 0.805311 O\n0.768122 0.756336 0.789439 O\n0.768122 0.256336 0.710561 O\n0.729936 0.993251 0.446432 O\n0.294473 0.668558 0.069187 O\n0.270064 0.006749 0.553568 O\n0.268122 0.243664 0.710561 O\n0.067471 0.764450 0.958693 O\n0.432529 0.764450 0.458693 O\n0.731878 0.256336 0.210561 O\n0.432529 0.264450 0.041307 O\n0.567471 0.235550 0.541307 O\n0.067471 0.264450 0.541307 O\n0.458706 0.339074 0.319966 O\n0.535882 0.506212 0.805311 O\n0.932529 0.735550 0.458693 O\n0.041294 0.339074 0.819966 O\n0.964118 0.006212 0.194689 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
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"Si",
"Sn",
"O"
],
"chemical_system": "Mg-O-Si-Sn",
"density": 4.007300185119967,
"density_atomic": 0.08175462287286163,
"volume": 978.5379369238816,
"volume_molar": 7.366116493944522,
"formula_full": "Mg8 Si16 Sn8 O48",
"formula_reduced": "MgSi2SnO6",
"formula_anonymous": "ABC2D6",
"energy": -598.08752237,
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"updated_at": "2021-11-28T01:35:04.674000Z",
"spacegroup": 61
},
{
"id": "mp-1041479",
"created_at": "2022-09-04T14:40:17.887890Z",
"structure_string": "Mg8 Cu8 Si16 O48\n1.0\n5.282664 0.000000 0.000000\n0.000000 9.038806 0.000000\n0.000000 0.000000 18.422464\nMg Cu Si O\n8 8 16 48\ndirect\n0.613771 0.152084 0.375786 Mg\n0.386229 0.847916 0.624214 Mg\n0.613771 0.652084 0.124214 Mg\n0.113771 0.847916 0.124214 Mg\n0.886229 0.152084 0.875786 Mg\n0.386229 0.347916 0.875786 Mg\n0.113771 0.347916 0.375786 Mg\n0.886229 0.652084 0.624214 Mg\n0.380361 0.992522 0.875515 Cu\n0.619639 0.007478 0.124485 Cu\n0.880361 0.007478 0.624485 Cu\n0.119639 0.992522 0.375515 Cu\n0.380361 0.492522 0.624485 Cu\n0.619639 0.507478 0.375515 Cu\n0.880361 0.507478 0.875515 Cu\n0.119639 0.492522 0.124485 Cu\n0.574495 0.661858 0.774258 Si\n0.727004 0.836207 0.473908 Si\n0.772996 0.836207 0.973908 Si\n0.925505 0.161858 0.225742 Si\n0.074495 0.338142 0.725742 Si\n0.425505 0.838142 0.274258 Si\n0.227004 0.663793 0.473908 Si\n0.727004 0.336207 0.026092 Si\n0.772996 0.336207 0.526092 Si\n0.925505 0.661858 0.274258 Si\n0.425505 0.338142 0.225742 Si\n0.574495 0.161858 0.725742 Si\n0.272996 0.163793 0.526092 Si\n0.074495 0.838142 0.774258 Si\n0.272996 0.663793 0.973908 Si\n0.227004 0.163793 0.026092 Si\n0.919106 0.500472 0.313700 O\n0.309566 0.013520 0.068560 O\n0.080894 0.499528 0.686300 O\n0.716970 0.339466 0.936782 O\n0.216970 0.160534 0.936782 O\n0.933294 0.207210 0.050656 O\n0.932971 0.666266 0.186270 O\n0.067029 0.833734 0.686270 O\n0.716970 0.839466 0.563218 O\n0.932971 0.166266 0.313730 O\n0.419106 0.499528 0.186300 O\n0.783030 0.339466 0.436782 O\n0.690434 0.986480 0.931440 O\n0.432971 0.833734 0.186270 O\n0.580894 0.000472 0.686300 O\n0.309566 0.513520 0.431440 O\n0.419106 0.999528 0.313700 O\n0.158853 0.764988 0.305638 O\n0.341147 0.764988 0.805638 O\n0.566706 0.707210 0.949344 O\n0.783030 0.839466 0.063218 O\n0.567029 0.666266 0.686270 O\n0.809566 0.486480 0.068560 O\n0.158853 0.264988 0.194362 O\n0.283030 0.160534 0.436782 O\n0.567029 0.166266 0.813730 O\n0.690434 0.486480 0.568560 O\n0.216970 0.660534 0.563218 O\n0.190434 0.513520 0.931440 O\n0.658853 0.735012 0.305638 O\n0.080894 0.999528 0.813700 O\n0.841147 0.735012 0.805638 O\n0.841147 0.235012 0.694362 O\n0.809566 0.986480 0.431440 O\n0.283030 0.660534 0.063218 O\n0.190434 0.013520 0.568560 O\n0.341147 0.264988 0.694362 O\n0.066706 0.792790 0.949344 O\n0.433294 0.792790 0.449344 O\n0.658853 0.235012 0.194362 O\n0.433294 0.292790 0.050656 O\n0.566706 0.207210 0.550656 O\n0.066706 0.292790 0.550656 O\n0.432971 0.333734 0.313730 O\n0.580894 0.500472 0.813700 O\n0.933294 0.707210 0.449344 O\n0.067029 0.333734 0.813730 O\n0.919106 0.000472 0.186300 O\n",
"nsites": 80,
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"elements": [
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"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Mg-O-Si",
"density": 3.624698186070683,
"density_atomic": 0.0909448721288775,
"volume": 879.653774064715,
"volume_molar": 6.621748559353689,
"formula_full": "Mg8 Cu8 Si16 O48",
"formula_reduced": "MgCu(SiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -588.72968899,
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"updated_at": "2021-11-28T01:35:02.126000Z",
"spacegroup": 61
},
{
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