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{
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"results": [
{
"id": "mp-1095563",
"created_at": "2022-09-04T14:42:08.825750Z",
"structure_string": "Sc4 Si4 Ir4\n1.0\n4.073701 0.000000 0.000000\n0.000000 6.461166 0.000000\n0.000000 0.000000 7.362679\nSc Si Ir\n4 4 4\ndirect\n0.250000 0.012707 0.314869 Sc\n0.250000 0.512707 0.185131 Sc\n0.750000 0.987293 0.685131 Sc\n0.750000 0.487293 0.814869 Sc\n0.250000 0.288039 0.622165 Si\n0.250000 0.788039 0.877835 Si\n0.750000 0.711961 0.377835 Si\n0.750000 0.211961 0.122165 Si\n0.250000 0.161305 0.940949 Ir\n0.250000 0.661305 0.559051 Ir\n0.750000 0.838695 0.059051 Ir\n0.750000 0.338695 0.440949 Ir\n",
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},
{
"id": "mp-1229280",
"created_at": "2022-09-04T14:42:06.081009Z",
"structure_string": "Cd40 Ni8\n1.0\n6.982198 -7.149759 0.000000\n6.982198 7.149759 0.000000\n0.000000 0.000000 10.011898\nCd Ni\n40 8\ndirect\n0.862725 0.496627 0.499092 Cd\n0.503373 0.137275 0.499092 Cd\n0.500000 0.500000 0.860187 Cd\n0.137275 0.503373 0.499092 Cd\n0.496627 0.862725 0.499092 Cd\n0.500000 0.500000 0.139749 Cd\n0.302422 0.697578 0.007034 Cd\n0.054255 0.725119 0.251061 Cd\n0.274881 0.945745 0.251061 Cd\n0.697578 0.302422 0.007034 Cd\n0.945745 0.274881 0.251061 Cd\n0.725119 0.054255 0.251061 Cd\n0.798544 0.798544 0.949344 Cd\n0.005275 0.748230 0.739606 Cd\n0.748230 0.005275 0.739606 Cd\n0.201456 0.201456 0.949344 Cd\n0.994725 0.251770 0.739606 Cd\n0.251770 0.994725 0.739606 Cd\n0.643459 0.356541 0.652738 Cd\n0.356541 0.643459 0.652738 Cd\n0.345783 0.345783 0.359733 Cd\n0.654217 0.654217 0.359733 Cd\n0.829550 0.170450 0.509561 Cd\n0.490159 0.161936 0.830532 Cd\n0.838064 0.509841 0.830532 Cd\n0.170450 0.829550 0.509561 Cd\n0.509841 0.838064 0.830532 Cd\n0.161936 0.490159 0.830532 Cd\n0.133967 0.133967 0.458702 Cd\n0.456558 0.169196 0.149686 Cd\n0.169196 0.456558 0.149686 Cd\n0.866033 0.866033 0.458702 Cd\n0.543442 0.830804 0.149686 Cd\n0.830804 0.543442 0.149686 Cd\n0.343901 0.656099 0.333383 Cd\n0.656099 0.343901 0.333383 Cd\n0.677572 0.677572 0.656022 Cd\n0.322428 0.322428 0.656022 Cd\n0.900128 0.099872 0.997706 Cd\n0.099872 0.900128 0.997706 Cd\n0.185366 0.185366 0.204476 Ni\n0.814634 0.814634 0.204476 Ni\n0.360878 0.976434 0.992412 Ni\n0.023566 0.639122 0.992412 Ni\n0.000000 0.000000 0.246008 Ni\n0.639122 0.023566 0.992412 Ni\n0.976434 0.360878 0.992412 Ni\n0.000000 0.000000 0.647103 Ni\n",
"nsites": 48,
"nelements": 2,
"elements": [
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],
"chemical_system": "Cd-Ni",
"density": 8.249444741666638,
"density_atomic": 0.048018795482994175,
"volume": 999.608580706677,
"volume_molar": 12.541215787332145,
"formula_full": "Cd40 Ni8",
"formula_reduced": "Cd5Ni",
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"energy": -80.93150335,
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"updated_at": "2021-11-28T01:35:32.380000Z",
"spacegroup": 35
},
{
"id": "mp-28944",
"created_at": "2022-09-04T14:42:06.082754Z",
"structure_string": "Bi2 Te2 Cl2\n1.0\n2.151496 -3.726501 0.000000\n2.151496 3.726501 0.000000\n0.000000 0.000000 14.141645\nBi Te Cl\n2 2 2\ndirect\n0.333333 0.666667 0.136471 Bi\n0.666667 0.333333 0.636471 Bi\n0.666667 0.333333 0.261304 Te\n0.333333 0.666667 0.761304 Te\n0.000000 0.000000 0.020324 Cl\n0.000000 0.000000 0.520324 Cl\n",
"nsites": 6,
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"elements": [
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"Te",
"Cl"
],
"chemical_system": "Bi-Cl-Te",
"density": 5.448655034760901,
"density_atomic": 0.026459372397762266,
"volume": 226.76274817869205,
"volume_molar": 22.759953144275283,
"formula_full": "Bi2 Te2 Cl2",
"formula_reduced": "BiTeCl",
"formula_anonymous": "ABC",
"energy": -23.41763474,
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"spacegroup": 186
},
{
"id": "mp-8607",
"created_at": "2022-09-04T14:42:10.331922Z",
"structure_string": "Na1 Cu4 Sb2\n1.0\n8.513932 -2.141485 0.000000\n8.513932 2.141485 0.000000\n7.975290 0.000000 3.669842\nNa Cu Sb\n1 4 2\ndirect\n0.000000 0.000000 0.000000 Na\n0.142509 0.142509 0.142509 Cu\n0.857491 0.857491 0.857491 Cu\n0.449433 0.449433 0.449433 Cu\n0.550567 0.550567 0.550567 Cu\n0.249370 0.249370 0.249370 Sb\n0.750630 0.750630 0.750630 Sb\n",
"nsites": 7,
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"elements": [
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"Cu",
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],
"chemical_system": "Cu-Na-Sb",
"density": 6.461136289599135,
"density_atomic": 0.05230888510713692,
"volume": 133.8204778339834,
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"formula_full": "Na1 Cu4 Sb2",
"formula_reduced": "Na(Cu2Sb)2",
"formula_anonymous": "AB2C4",
"energy": -27.05703973,
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"updated_at": "2021-11-28T01:35:40.576000Z",
"spacegroup": 166
},
{
"id": "mp-1189362",
"created_at": "2022-09-04T14:42:08.727558Z",
"structure_string": "Dy2 Ga5 Cu12\n1.0\n4.896705 -4.356641 0.000000\n4.896705 4.356641 0.000000\n1.020563 0.000000 6.474294\nDy Ga Cu\n2 5 12\ndirect\n0.653005 0.653005 0.653005 Dy\n0.346995 0.346995 0.346995 Dy\n0.000000 0.000000 0.500000 Ga\n0.500000 0.000000 0.000000 Ga\n0.000000 0.500000 0.000000 Ga\n0.900063 0.900063 0.900063 Ga\n0.099937 0.099937 0.099937 Ga\n0.688144 0.311856 0.000000 Cu\n0.000000 0.688144 0.311856 Cu\n0.311856 0.000000 0.688144 Cu\n0.000000 0.311856 0.688144 Cu\n0.688144 0.000000 0.311856 Cu\n0.311856 0.688144 0.000000 Cu\n0.347655 0.835615 0.347655 Cu\n0.347655 0.347655 0.835615 Cu\n0.835615 0.347655 0.347655 Cu\n0.652345 0.164385 0.652345 Cu\n0.652345 0.652345 0.164385 Cu\n0.164385 0.652345 0.652345 Cu\n",
"nsites": 19,
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"elements": [
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"Ga",
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],
"chemical_system": "Cu-Dy-Ga",
"density": 8.633281720412308,
"density_atomic": 0.06878210663672618,
"volume": 276.23463323606546,
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"formula_full": "Dy2 Ga5 Cu12",
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"energy": -77.5963671,
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"updated_at": "2021-11-28T01:35:33.635000Z",
"spacegroup": 166
},
{
"id": "mp-1218582",
"created_at": "2022-09-04T14:42:06.514328Z",
"structure_string": "Sr2 Y1 Cu3 Pb2 O8\n1.0\n3.834248 0.000000 0.000000\n0.000000 3.863036 0.000000\n0.000000 0.371056 15.966447\nSr Y Cu Pb O\n2 1 3 2 8\ndirect\n0.000000 0.990489 0.221295 Sr\n0.000000 0.009511 0.778705 Sr\n0.000000 0.000000 0.000000 Y\n0.500000 0.498410 0.104406 Cu\n0.500000 0.501590 0.895594 Cu\n0.000000 0.000000 0.500000 Cu\n0.500000 0.495972 0.388940 Pb\n0.500000 0.504028 0.611060 Pb\n0.500000 0.488379 0.251492 O\n0.500000 0.511621 0.748508 O\n0.000000 0.497348 0.091670 O\n0.500000 0.000182 0.907712 O\n0.000000 0.502652 0.908330 O\n0.500000 0.999818 0.092288 O\n0.000000 0.899560 0.385623 O\n0.000000 0.100440 0.614377 O\n",
"nsites": 16,
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"elements": [
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"Y",
"Cu",
"Pb",
"O"
],
"chemical_system": "Cu-O-Pb-Sr-Y",
"density": 7.001724274071047,
"density_atomic": 0.06765544327187559,
"volume": 236.49242730852393,
"volume_molar": 8.901191787037494,
"formula_full": "Sr2 Y1 Cu3 Pb2 O8",
"formula_reduced": "Sr2YCu3(PbO4)2",
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"energy": -102.13936649,
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"spacegroup": 10
},
{
"id": "mp-680204",
"created_at": "2022-09-04T14:42:06.095463Z",
"structure_string": "Si22 O44\n1.0\n15.652496 4.829757 0.000000\n-15.652496 4.829757 0.000000\n0.000000 0.217071 7.458645\nSi O\n22 44\ndirect\n0.073247 0.171752 0.634301 Si\n0.917761 0.082239 0.000000 Si\n0.041179 0.347397 0.163364 Si\n0.538526 0.781866 0.478085 Si\n0.763162 0.221944 0.285491 Si\n0.778056 0.236838 0.714509 Si\n0.221944 0.763162 0.285491 Si\n0.218134 0.461474 0.521915 Si\n0.501919 0.107156 0.816761 Si\n0.498081 0.892844 0.183239 Si\n0.892844 0.498081 0.183239 Si\n0.171752 0.073247 0.634301 Si\n0.347397 0.041179 0.163364 Si\n0.926753 0.828248 0.365699 Si\n0.781866 0.538526 0.478085 Si\n0.828248 0.926753 0.365699 Si\n0.652603 0.958821 0.836636 Si\n0.107156 0.501919 0.816761 Si\n0.958821 0.652603 0.836636 Si\n0.461474 0.218134 0.521915 Si\n0.082239 0.917761 0.000000 Si\n0.236838 0.778056 0.714509 Si\n0.607450 0.392550 0.500000 O\n0.062305 0.937695 0.500000 O\n0.234637 0.012199 0.076510 O\n0.607245 0.058924 0.223679 O\n0.012602 0.117691 0.840971 O\n0.164128 0.485972 0.664842 O\n0.765363 0.987801 0.923490 O\n0.392550 0.607450 0.500000 O\n0.423263 0.145926 0.331805 O\n0.204846 0.665104 0.811029 O\n0.665104 0.204846 0.811029 O\n0.882309 0.987398 0.159029 O\n0.667034 0.828646 0.404675 O\n0.118353 0.470507 0.013484 O\n0.117691 0.012602 0.840971 O\n0.987801 0.765363 0.923490 O\n0.529493 0.881647 0.986516 O\n0.854074 0.576737 0.668195 O\n0.470507 0.118353 0.013484 O\n0.937695 0.062305 0.500000 O\n0.256521 0.885632 0.226425 O\n0.012199 0.234637 0.076510 O\n0.392755 0.941076 0.776321 O\n0.743479 0.114368 0.773575 O\n0.763910 0.236090 0.500000 O\n0.514028 0.835872 0.335158 O\n0.828646 0.667034 0.404675 O\n0.795154 0.334896 0.188971 O\n0.058924 0.607245 0.223679 O\n0.236090 0.763910 0.500000 O\n0.828399 0.828399 0.402161 O\n0.941076 0.392755 0.776321 O\n0.576737 0.854074 0.668195 O\n0.145926 0.423263 0.331805 O\n0.885632 0.256521 0.226425 O\n0.334896 0.795154 0.188971 O\n0.881647 0.529493 0.986516 O\n0.835872 0.514028 0.335158 O\n0.485972 0.164128 0.664842 O\n0.332966 0.171354 0.595325 O\n0.171601 0.171601 0.597839 O\n0.171354 0.332966 0.595325 O\n0.114368 0.743479 0.773575 O\n0.987398 0.882309 0.159029 O\n",
"nsites": 66,
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"volume": 1127.7135917739474,
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"formula_full": "Si22 O44",
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"updated_at": "2021-11-28T01:35:31.030000Z",
"spacegroup": 12
},
{
"id": "mp-1079602",
"created_at": "2022-09-04T14:42:06.098838Z",
"structure_string": "Cu1 I4 N4\n1.0\n3.077756 5.344513 0.000000\n-3.077756 5.344513 0.000000\n0.000000 2.913795 6.821966\nCu I N\n1 4 4\ndirect\n0.000000 0.000000 0.500000 Cu\n0.263514 0.263514 0.577803 I\n0.736486 0.736486 0.422197 I\n0.619745 0.619745 0.028267 I\n0.380255 0.380255 0.971733 I\n0.680106 0.076777 0.457178 N\n0.076777 0.680106 0.457178 N\n0.319894 0.923223 0.542822 N\n0.923223 0.319894 0.542822 N\n",
"nsites": 9,
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"I",
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],
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"volume": 224.43049672511242,
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"formula_full": "Cu1 I4 N4",
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"spacegroup": 12
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{
"id": "mp-22373",
"created_at": "2022-09-04T14:42:06.099788Z",
"structure_string": "Cr2 Pb4 O10\n1.0\n2.914243 7.029533 0.000000\n-2.914243 7.029533 0.000000\n0.000000 2.818566 6.692394\nCr Pb O\n2 4 10\ndirect\n0.173746 0.173746 0.843641 Cr\n0.826254 0.826254 0.156359 Cr\n0.485151 0.485151 0.759723 Pb\n0.514849 0.514849 0.240277 Pb\n0.141956 0.141956 0.393315 Pb\n0.858044 0.858044 0.606685 Pb\n0.252949 0.747051 0.500000 O\n0.747051 0.252949 0.500000 O\n0.080079 0.619280 0.268729 O\n0.380720 0.919921 0.731271 O\n0.919921 0.380720 0.731271 O\n0.619280 0.080079 0.268729 O\n0.900699 0.900699 0.911491 O\n0.099301 0.099301 0.088509 O\n0.298429 0.298429 0.809051 O\n0.701571 0.701571 0.190949 O\n",
"nsites": 16,
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"volume": 274.19765284340104,
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"formula_full": "Cr2 Pb4 O10",
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{
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{
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]
}