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{
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"results": [
{
"id": "mp-10645",
"created_at": "2022-09-04T14:42:21.627336Z",
"structure_string": "Tb2 Se2\n1.0\n2.302836 -3.988630 0.000000\n2.302836 3.988630 0.000000\n0.000000 0.000000 7.264827\nTb Se\n2 2\ndirect\n0.666667 0.333333 0.495160 Tb\n0.333333 0.666667 0.995160 Tb\n0.666667 0.333333 0.879840 Se\n0.333333 0.666667 0.379840 Se\n",
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"Se"
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"volume": 133.4572076998793,
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},
{
"id": "mp-1227006",
"created_at": "2022-09-04T14:42:21.629107Z",
"structure_string": "Dy12 Cd72\n1.0\n-7.817697 7.872304 7.984599\n7.817697 -7.872304 7.984599\n7.817698 7.872304 -7.984599\nDy Cd\n12 72\ndirect\n0.807450 0.509517 0.702067 Dy\n0.192550 0.490483 0.297933 Dy\n0.192550 0.894617 0.702067 Dy\n0.807450 0.105383 0.297933 Dy\n0.108457 0.301907 0.806549 Dy\n0.891543 0.698093 0.193451 Dy\n0.495358 0.301907 0.193451 Dy\n0.504642 0.698093 0.806549 Dy\n0.301089 0.189598 0.490687 Dy\n0.698911 0.810402 0.509313 Dy\n0.301089 0.810402 0.111492 Dy\n0.698911 0.189598 0.888508 Dy\n0.999992 0.678562 0.001996 Cd\n0.323433 0.321438 0.321430 Cd\n0.000008 0.002003 0.678570 Cd\n0.676567 0.997997 0.998004 Cd\n0.000008 0.321438 0.998005 Cd\n0.676567 0.678562 0.678570 Cd\n0.999992 0.997997 0.321430 Cd\n0.323433 0.002003 0.001996 Cd\n0.741617 0.647175 0.905559 Cd\n0.258383 0.352825 0.094441 Cd\n0.258383 0.163942 0.905559 Cd\n0.741617 0.836058 0.094441 Cd\n0.856114 0.090678 0.765436 Cd\n0.143886 0.909322 0.234564 Cd\n0.325241 0.090678 0.234564 Cd\n0.674759 0.909322 0.765436 Cd\n0.095340 0.241220 0.336560 Cd\n0.904660 0.758780 0.663440 Cd\n0.095340 0.758780 0.854121 Cd\n0.904660 0.241220 0.145879 Cd\n0.596014 0.248775 0.652761 Cd\n0.403986 0.751225 0.347239 Cd\n0.403986 0.056747 0.652761 Cd\n0.596014 0.943253 0.347239 Cd\n0.941850 0.347269 0.594581 Cd\n0.058150 0.652731 0.405419 Cd\n0.752688 0.347269 0.405419 Cd\n0.247312 0.652731 0.594581 Cd\n0.345598 0.404214 0.749811 Cd\n0.654402 0.595786 0.250189 Cd\n0.345598 0.595786 0.941384 Cd\n0.654402 0.404214 0.058616 Cd\n0.589435 0.589435 0.000000 Cd\n0.410565 0.410565 0.000000 Cd\n0.594856 0.000000 0.594856 Cd\n0.405144 0.000000 0.405144 Cd\n0.000000 0.404287 0.404287 Cd\n0.000000 0.595713 0.595713 Cd\n0.778537 0.455322 0.918977 Cd\n0.463655 0.544678 0.323215 Cd\n0.221463 0.140440 0.676785 Cd\n0.536345 0.859560 0.081023 Cd\n0.860284 0.083728 0.542377 Cd\n0.139716 0.682093 0.223444 Cd\n0.541351 0.317907 0.457623 Cd\n0.458649 0.916272 0.776556 Cd\n0.318739 0.459486 0.540356 Cd\n0.919131 0.778384 0.459644 Cd\n0.080869 0.540514 0.859253 Cd\n0.681261 0.221616 0.140747 Cd\n0.221463 0.544678 0.081023 Cd\n0.536345 0.455322 0.676785 Cd\n0.778537 0.859560 0.323215 Cd\n0.463655 0.140440 0.918977 Cd\n0.139716 0.916272 0.457623 Cd\n0.860284 0.317907 0.776556 Cd\n0.458649 0.682093 0.542377 Cd\n0.541351 0.083728 0.223444 Cd\n0.681261 0.540514 0.459644 Cd\n0.080869 0.221616 0.540356 Cd\n0.919131 0.459486 0.140747 Cd\n0.318739 0.778384 0.859253 Cd\n0.500000 0.308719 0.808719 Cd\n0.500000 0.691281 0.191281 Cd\n0.692280 0.192280 0.500000 Cd\n0.307720 0.807720 0.500000 Cd\n0.189064 0.500000 0.689064 Cd\n0.810936 0.500000 0.310936 Cd\n0.914668 0.823784 0.909116 Cd\n0.085332 0.176216 0.090884 Cd\n0.085332 0.994448 0.909116 Cd\n0.914668 0.005552 0.090884 Cd\n",
"nsites": 84,
"nelements": 2,
"elements": [
"Dy",
"Cd"
],
"chemical_system": "Cd-Dy",
"density": 8.484853337621344,
"density_atomic": 0.04273517299548451,
"volume": 1965.5940086840324,
"volume_molar": 14.091766425366554,
"formula_full": "Dy12 Cd72",
"formula_reduced": "DyCd6",
"formula_anonymous": "AB6",
"energy": -136.15483952,
"energy_per_atom": -1.6208909466666666,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:42.649000Z",
"spacegroup": 71
},
{
"id": "mp-1079667",
"created_at": "2022-09-04T14:42:22.247694Z",
"structure_string": "Tm4 Co2 Ge4\n1.0\n2.097126 5.109391 0.000000\n-2.097126 5.109391 0.000000\n0.000000 4.636803 8.830131\nTm Co Ge\n4 2 4\ndirect\n0.184178 0.184178 0.889127 Tm\n0.815822 0.815822 0.110873 Tm\n0.005676 0.005676 0.666744 Tm\n0.994324 0.994324 0.333256 Tm\n0.270984 0.270984 0.352619 Co\n0.729016 0.729016 0.647381 Co\n0.485022 0.485022 0.875353 Ge\n0.514978 0.514978 0.124647 Ge\n0.345331 0.345331 0.565682 Ge\n0.654669 0.654669 0.434318 Ge\n",
"nsites": 10,
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"elements": [
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"Co",
"Ge"
],
"chemical_system": "Co-Ge-Tm",
"density": 9.513776961786524,
"density_atomic": 0.05284564395614388,
"volume": 189.2303556429156,
"volume_molar": 11.39571837746498,
"formula_full": "Tm4 Co2 Ge4",
"formula_reduced": "Tm2CoGe2",
"formula_anonymous": "AB2C2",
"energy": -58.13639221,
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"updated_at": "2021-11-28T01:35:48.234000Z",
"spacegroup": 12
},
{
"id": "mp-935267",
"created_at": "2022-09-04T14:42:17.053433Z",
"structure_string": "Li16 U4 C12 O44\n1.0\n4.458952 -7.723132 0.000000\n4.458952 7.723132 0.000000\n0.000000 0.000000 12.534109\nLi U C O\n16 4 12 44\ndirect\n0.689205 0.122861 0.873318 Li\n0.877139 0.566344 0.873318 Li\n0.433656 0.310795 0.873318 Li\n0.566344 0.877139 0.626682 Li\n0.310795 0.433656 0.626682 Li\n0.122861 0.689205 0.626682 Li\n0.310795 0.877139 0.126682 Li\n0.122861 0.433656 0.126682 Li\n0.566344 0.689205 0.126682 Li\n0.433656 0.122861 0.373318 Li\n0.689205 0.566344 0.373318 Li\n0.877139 0.310795 0.373318 Li\n0.000000 0.000000 0.500000 Li\n0.000000 0.000000 0.000000 Li\n0.000000 0.000000 0.750000 Li\n0.000000 0.000000 0.250000 Li\n0.666667 0.333333 0.629839 U\n0.333333 0.666667 0.870161 U\n0.333333 0.666667 0.370161 U\n0.666667 0.333333 0.129839 U\n0.251433 0.935519 0.872711 C\n0.064481 0.315914 0.872711 C\n0.684086 0.748567 0.872711 C\n0.315914 0.064481 0.627289 C\n0.748567 0.684086 0.627289 C\n0.935519 0.251433 0.627289 C\n0.748567 0.064481 0.127289 C\n0.935519 0.684086 0.127289 C\n0.315914 0.251433 0.127289 C\n0.684086 0.935519 0.372711 C\n0.251433 0.315914 0.372711 C\n0.064481 0.748567 0.372711 C\n0.636330 0.864834 0.859694 O\n0.135166 0.771496 0.859694 O\n0.228504 0.363670 0.859694 O\n0.771496 0.135166 0.640306 O\n0.363670 0.228504 0.640306 O\n0.864834 0.636330 0.640306 O\n0.363670 0.135166 0.140306 O\n0.864834 0.228504 0.140306 O\n0.771496 0.636330 0.140306 O\n0.228504 0.864834 0.359694 O\n0.636330 0.771496 0.359694 O\n0.135166 0.363670 0.359694 O\n0.410714 0.965724 0.880026 O\n0.034276 0.444990 0.880026 O\n0.555010 0.589286 0.880026 O\n0.444990 0.034276 0.619974 O\n0.589286 0.555010 0.619974 O\n0.965724 0.410714 0.619974 O\n0.589286 0.034276 0.119974 O\n0.965724 0.555010 0.119974 O\n0.444990 0.410714 0.119974 O\n0.555010 0.965724 0.380026 O\n0.410714 0.444990 0.380026 O\n0.034276 0.589286 0.380026 O\n0.214460 0.055455 0.878016 O\n0.944545 0.159005 0.878016 O\n0.840995 0.785540 0.878016 O\n0.159005 0.944545 0.621984 O\n0.785540 0.840995 0.621984 O\n0.055455 0.214460 0.621984 O\n0.785540 0.944545 0.121984 O\n0.055455 0.840995 0.121984 O\n0.159005 0.214460 0.121984 O\n0.840995 0.055455 0.378016 O\n0.214460 0.159005 0.378016 O\n0.944545 0.785540 0.378016 O\n0.666667 0.333333 0.481648 O\n0.333333 0.666667 0.018352 O\n0.333333 0.666667 0.518352 O\n0.666667 0.333333 0.981648 O\n0.666667 0.333333 0.778989 O\n0.333333 0.666667 0.721011 O\n0.333333 0.666667 0.221011 O\n0.666667 0.333333 0.278989 O\n",
"nsites": 76,
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"elements": [
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"U",
"C",
"O"
],
"chemical_system": "C-Li-O-U",
"density": 3.6763957035559045,
"density_atomic": 0.08803672425567581,
"volume": 863.2761003156045,
"volume_molar": 6.840487093216383,
"formula_full": "Li16 U4 C12 O44",
"formula_reduced": "Li4UC3O11",
"formula_anonymous": "AB3C4D11",
"energy": -588.66929093,
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"spacegroup": 165
},
{
"id": "mp-1179297",
"created_at": "2022-09-04T14:42:17.063435Z",
"structure_string": "Si8 Sb4 C28 Cl8\n1.0\n22.701236 0.000000 0.000000\n0.000000 6.170949 0.000000\n0.000000 4.453895 6.738216\nSi Sb C Cl\n8 4 28 8\ndirect\n0.068716 0.222605 0.356773 Si\n0.431284 0.222605 0.856773 Si\n0.931284 0.777395 0.643227 Si\n0.568716 0.777395 0.143227 Si\n0.192696 0.223297 0.427215 Si\n0.307304 0.223297 0.927215 Si\n0.807304 0.776703 0.572785 Si\n0.692696 0.776703 0.072785 Si\n0.144678 0.698530 0.763074 Sb\n0.355322 0.698530 0.263074 Sb\n0.855322 0.301470 0.236926 Sb\n0.644678 0.301470 0.736926 Sb\n0.132721 0.009805 0.464402 C\n0.367279 0.009805 0.964402 C\n0.867279 0.990195 0.535598 C\n0.632721 0.990195 0.035598 C\n0.945231 0.401766 0.114802 C\n0.554769 0.401766 0.614802 C\n0.054769 0.598234 0.885198 C\n0.445231 0.598234 0.385198 C\n0.000464 0.314509 0.205803 C\n0.499536 0.314509 0.705803 C\n0.999536 0.685491 0.794197 C\n0.500464 0.685491 0.294197 C\n0.053234 0.419557 0.091350 C\n0.446766 0.419557 0.591350 C\n0.946766 0.580443 0.908650 C\n0.553234 0.580443 0.408650 C\n0.294081 0.246898 0.148887 C\n0.205919 0.246898 0.648887 C\n0.705919 0.753102 0.851113 C\n0.794081 0.753102 0.351113 C\n0.265508 0.228921 0.308312 C\n0.234492 0.228921 0.808312 C\n0.734492 0.771079 0.691688 C\n0.765508 0.771079 0.191688 C\n0.320143 0.352696 0.247803 C\n0.179857 0.352696 0.747803 C\n0.679857 0.647304 0.752197 C\n0.820143 0.647304 0.252197 C\n0.937192 0.595136 0.489983 Cl\n0.562808 0.595136 0.989983 Cl\n0.062808 0.404864 0.510017 Cl\n0.437192 0.404864 0.010017 Cl\n0.182250 0.623758 0.217107 Cl\n0.317750 0.623758 0.717107 Cl\n0.817750 0.376242 0.782893 Cl\n0.682250 0.376242 0.282893 Cl\n",
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"volume": 943.9443457620238,
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"formula_full": "Si8 Sb4 C28 Cl8",
"formula_reduced": "Si2SbC7Cl2",
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{
"id": "mp-1518344",
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"structure_string": "Sr1 Pr1 Ni1 Bi1 O6\n1.0\n0.000000 -4.094074 -4.094074\n4.094074 -0.000000 -4.094074\n4.094074 -4.094074 -0.000000\nSr Pr Ni Bi O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Pr\n0.500000 0.500000 0.500000 Ni\n-0.000000 -0.000000 0.000000 Bi\n0.745355 0.254645 0.254645 O\n0.254645 0.745355 0.745355 O\n0.745355 0.254645 0.745355 O\n0.254645 0.745355 0.254645 O\n0.745355 0.745355 0.254645 O\n0.254645 0.254645 0.745355 O\n",
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"volume": 137.24516711369728,
"volume_molar": 8.26509714988408,
"formula_full": "Sr1 Pr1 Ni1 Bi1 O6",
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{
"id": "mp-1096476",
"created_at": "2022-09-04T14:42:17.073462Z",
"structure_string": "Li1 La2 Cd1\n1.0\n-6.386890 6.444691 9.114178\n6.386890 -6.444691 9.114178\n6.386890 6.444691 -9.114178\nLi La Cd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.251111 0.251111 La\n0.000000 0.748889 0.748889 La\n0.000000 0.500000 0.500000 Cd\n",
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{
"id": "mp-1367520",
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"structure_string": "Mg4 V4 O10\n1.0\n3.509244 0.000000 0.000000\n0.000000 5.818539 0.000000\n0.000000 0.000000 10.842870\nMg V O\n4 4 10\ndirect\n0.000000 0.061928 0.895807 Mg\n0.000000 0.441399 0.103793 Mg\n0.000000 0.558601 0.603793 Mg\n0.000000 0.938072 0.395807 Mg\n0.500000 0.017642 0.634805 V\n0.500000 0.481650 0.365315 V\n0.500000 0.982358 0.134805 V\n0.500000 0.518350 0.865315 V\n0.500000 0.256878 0.503603 O\n0.500000 0.878795 0.302468 O\n0.500000 0.377649 0.197671 O\n0.500000 0.121205 0.802468 O\n0.000000 0.088373 0.081809 O\n0.000000 0.414607 0.918035 O\n0.500000 0.622351 0.697671 O\n0.000000 0.911627 0.581809 O\n0.500000 0.743122 0.003603 O\n0.000000 0.585393 0.418035 O\n",
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"density": 3.457477913687026,
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"formula_full": "Mg4 V4 O10",
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{
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{
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{
"id": "mp-1189469",
"created_at": "2022-09-04T14:42:17.096426Z",
"structure_string": "Pr14 Ni6\n1.0\n0.000000 0.000000 -6.396368\n-4.980427 -8.620765 0.000000\n-4.980427 8.620765 0.000000\nPr Ni\n14 6\ndirect\n0.464145 0.333321 0.666679 Pr\n0.964145 0.666679 0.333321 Pr\n0.250362 0.125336 0.874664 Pr\n0.250341 0.749308 0.874655 Pr\n0.250341 0.125345 0.250692 Pr\n0.750362 0.874664 0.125336 Pr\n0.750341 0.250692 0.125345 Pr\n0.750341 0.874655 0.749308 Pr\n0.435873 0.539163 0.460837 Pr\n0.435813 0.921693 0.460841 Pr\n0.435813 0.539159 0.078307 Pr\n0.935873 0.460837 0.539163 Pr\n0.935813 0.078307 0.539159 Pr\n0.935813 0.460841 0.921693 Pr\n0.190092 0.811783 0.188217 Ni\n0.190111 0.376422 0.188203 Ni\n0.190111 0.811797 0.623578 Ni\n0.690092 0.188217 0.811783 Ni\n0.690111 0.623578 0.811797 Ni\n0.690111 0.188203 0.376422 Ni\n",
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{
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"structure_string": "Ho16 Mg4 Co4\n1.0\n0.000000 6.750248 6.750248\n6.750248 0.000000 6.750248\n6.750248 6.750248 0.000000\nHo Mg Co\n16 4 4\ndirect\n0.345024 0.345024 0.345024 Ho\n0.345024 0.345024 0.964929 Ho\n0.345024 0.964929 0.345024 Ho\n0.964929 0.345024 0.345024 Ho\n0.813987 0.186013 0.186013 Ho\n0.186013 0.813987 0.813987 Ho\n0.186013 0.813987 0.186013 Ho\n0.813987 0.186013 0.813987 Ho\n0.186013 0.186013 0.813987 Ho\n0.813987 0.813987 0.186013 Ho\n0.936795 0.563205 0.563205 Ho\n0.563205 0.936795 0.936795 Ho\n0.563205 0.936795 0.563205 Ho\n0.936795 0.563205 0.936795 Ho\n0.563205 0.563205 0.936795 Ho\n0.936795 0.936795 0.563205 Ho\n0.579038 0.579038 0.579038 Mg\n0.579038 0.579038 0.262885 Mg\n0.579038 0.262885 0.579038 Mg\n0.262885 0.579038 0.579038 Mg\n0.141028 0.141028 0.141028 Co\n0.141028 0.141028 0.576916 Co\n0.141028 0.576916 0.141028 Co\n0.576916 0.141028 0.141028 Co\n",
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}