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{
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"results": [
{
"id": "mp-1095513",
"created_at": "2022-09-04T14:43:22.390924Z",
"structure_string": "Sr4 Cd4 Au4\n1.0\n4.569854 0.000000 0.000000\n0.000000 7.918690 0.000000\n0.000000 0.000000 9.020891\nSr Cd Au\n4 4 4\ndirect\n0.250000 0.033830 0.315680 Sr\n0.250000 0.533830 0.184320 Sr\n0.750000 0.966170 0.684320 Sr\n0.750000 0.466170 0.815680 Sr\n0.250000 0.145379 0.936381 Cd\n0.250000 0.645379 0.563619 Cd\n0.750000 0.854621 0.063619 Cd\n0.750000 0.354621 0.436381 Cd\n0.250000 0.264361 0.624038 Au\n0.250000 0.764361 0.875962 Au\n0.750000 0.735639 0.375962 Au\n0.750000 0.235639 0.124038 Au\n",
"nsites": 12,
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"elements": [
"Sr",
"Cd",
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],
"chemical_system": "Au-Cd-Sr",
"density": 8.077776525932327,
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"volume": 326.4413025309048,
"volume_molar": 16.382295614323773,
"formula_full": "Sr4 Cd4 Au4",
"formula_reduced": "SrCdAu",
"formula_anonymous": "ABC",
"energy": -30.79243429,
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"updated_at": "2021-11-28T01:36:10.957000Z",
"spacegroup": 62
},
{
"id": "mp-1195626",
"created_at": "2022-09-04T14:39:20.407320Z",
"structure_string": "Sr4 Cd4 B8 O20\n1.0\n5.160688 3.864482 0.000000\n-5.160688 3.864482 0.000000\n0.000000 1.778621 11.125131\nSr Cd B O\n4 4 8 20\ndirect\n0.632732 0.367268 0.750000 Sr\n0.367268 0.632732 0.250000 Sr\n0.816109 0.183891 0.250000 Sr\n0.183891 0.816109 0.750000 Sr\n0.066636 0.262570 0.556801 Cd\n0.737430 0.933364 0.943199 Cd\n0.933364 0.737430 0.443199 Cd\n0.262570 0.066636 0.056801 Cd\n0.543492 0.270440 0.503747 B\n0.729560 0.456508 0.996253 B\n0.456508 0.729560 0.496253 B\n0.270440 0.543492 0.003747 B\n0.131455 0.324496 0.831327 B\n0.675504 0.868545 0.668673 B\n0.868545 0.675504 0.168673 B\n0.324496 0.131455 0.331327 B\n0.379269 0.187562 0.596275 O\n0.812438 0.620731 0.903725 O\n0.620731 0.812438 0.403725 O\n0.187562 0.379269 0.096275 O\n0.029202 0.385330 0.740070 O\n0.614670 0.970798 0.759930 O\n0.970798 0.614670 0.259930 O\n0.385330 0.029202 0.240070 O\n0.755638 0.364194 0.523697 O\n0.635806 0.244362 0.976303 O\n0.244362 0.635806 0.476303 O\n0.364194 0.755638 0.023697 O\n0.115786 0.127952 0.372437 O\n0.872048 0.884214 0.127563 O\n0.884214 0.872048 0.627563 O\n0.127952 0.115786 0.872437 O\n0.503459 0.269470 0.381318 O\n0.730530 0.496541 0.118682 O\n0.496541 0.730530 0.618682 O\n0.269470 0.503459 0.881318 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"B",
"O"
],
"chemical_system": "B-Cd-O-Sr",
"density": 4.515214603824219,
"density_atomic": 0.08112757209915604,
"volume": 443.74556107755757,
"volume_molar": 7.423050640095081,
"formula_full": "Sr4 Cd4 B8 O20",
"formula_reduced": "SrCdB2O5",
"formula_anonymous": "ABC2D5",
"energy": -261.28222202,
"energy_per_atom": -7.257839500555556,
"energy_above_hull": null,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.611000Z",
"spacegroup": 15
},
{
"id": "mp-1101809",
"created_at": "2022-09-04T14:41:21.784702Z",
"structure_string": "Sr4 Cd4 Ge4\n1.0\n4.664245 0.000000 0.000000\n0.000000 7.839422 0.000000\n0.000000 0.000000 8.626941\nSr Cd Ge\n4 4 4\ndirect\n0.250000 0.513690 0.314294 Sr\n0.250000 0.013690 0.185706 Sr\n0.750000 0.486310 0.685706 Sr\n0.750000 0.986310 0.814294 Sr\n0.250000 0.649127 0.933433 Cd\n0.250000 0.149127 0.566567 Cd\n0.750000 0.350873 0.066567 Cd\n0.750000 0.850873 0.433433 Cd\n0.250000 0.275553 0.888515 Ge\n0.250000 0.775553 0.611485 Ge\n0.750000 0.724447 0.111485 Ge\n0.750000 0.224447 0.388515 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"Cd",
"Ge"
],
"chemical_system": "Cd-Ge-Sr",
"density": 5.741505877949146,
"density_atomic": 0.038041621496227244,
"volume": 315.4439671082394,
"volume_molar": 15.830399765155233,
"formula_full": "Sr4 Cd4 Ge4",
"formula_reduced": "SrCdGe",
"formula_anonymous": "ABC",
"energy": -34.66823856,
"energy_per_atom": -2.8890198799999998,
"energy_above_hull": null,
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"energy_uncorrected": -34.66823856,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001276,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:18.796000Z",
"spacegroup": 62
},
{
"id": "mp-541367",
"created_at": "2022-09-04T14:44:08.757446Z",
"structure_string": "Sr4 Cd4 P16 O48\n1.0\n9.205691 0.000000 0.000000\n0.000000 7.199022 0.000000\n0.000000 6.915304 15.034991\nSr Cd P O\n4 4 16 48\ndirect\n0.894803 0.652109 0.363954 Sr\n0.394803 0.347891 0.136046 Sr\n0.105197 0.347891 0.636046 Sr\n0.605197 0.652109 0.863954 Sr\n0.258792 0.845220 0.653853 Cd\n0.758792 0.154780 0.846147 Cd\n0.741208 0.154780 0.346147 Cd\n0.241208 0.845220 0.153853 Cd\n0.511880 0.189592 0.675209 P\n0.011880 0.810408 0.824791 P\n0.488120 0.810408 0.324791 P\n0.988120 0.189592 0.175209 P\n0.756918 0.222516 0.546039 P\n0.256918 0.777484 0.953961 P\n0.243082 0.777484 0.453961 P\n0.743082 0.222516 0.046039 P\n0.839365 0.803857 0.560984 P\n0.339365 0.196143 0.939016 P\n0.160635 0.196143 0.439016 P\n0.660635 0.803857 0.060984 P\n0.598085 0.587271 0.679947 P\n0.098085 0.412729 0.820053 P\n0.401915 0.412729 0.320053 P\n0.901915 0.587271 0.179947 P\n0.594276 0.063462 0.758927 O\n0.094276 0.936538 0.741073 O\n0.405724 0.936538 0.241073 O\n0.905724 0.063462 0.258927 O\n0.356642 0.136778 0.665811 O\n0.856642 0.863222 0.834189 O\n0.643358 0.863222 0.334189 O\n0.143358 0.136778 0.165811 O\n0.596031 0.200658 0.587976 O\n0.096031 0.799342 0.912024 O\n0.403969 0.799342 0.412024 O\n0.903969 0.200658 0.087976 O\n0.854988 0.347203 0.576012 O\n0.354988 0.652797 0.923988 O\n0.145012 0.652797 0.423988 O\n0.645012 0.347203 0.076012 O\n0.734736 0.301097 0.446896 O\n0.234736 0.698903 0.053104 O\n0.265264 0.698903 0.553104 O\n0.765264 0.301097 0.946896 O\n0.815591 0.991718 0.589071 O\n0.315591 0.008282 0.910929 O\n0.184409 0.008282 0.410929 O\n0.684409 0.991718 0.089071 O\n0.681279 0.694280 0.586506 O\n0.181279 0.305720 0.913494 O\n0.318721 0.305720 0.413494 O\n0.818721 0.694280 0.086506 O\n0.849750 0.878141 0.461056 O\n0.349750 0.121859 0.038944 O\n0.150250 0.121859 0.538944 O\n0.650250 0.878141 0.961056 O\n0.959484 0.676284 0.616740 O\n0.459484 0.323716 0.883260 O\n0.040516 0.323716 0.383260 O\n0.540516 0.676284 0.116740 O\n0.497381 0.736970 0.693521 O\n0.997381 0.263030 0.806479 O\n0.502619 0.263030 0.306479 O\n0.002619 0.736970 0.193521 O\n0.503932 0.424842 0.660377 O\n0.003932 0.575158 0.839623 O\n0.496068 0.575158 0.339623 O\n0.996068 0.424842 0.160377 O\n0.703945 0.488970 0.755574 O\n0.203945 0.511030 0.744426 O\n0.296055 0.511030 0.244426 O\n0.796055 0.488970 0.255574 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Cd",
"P",
"O"
],
"chemical_system": "Cd-O-P-Sr",
"density": 3.4391998769388463,
"density_atomic": 0.07226024504951611,
"volume": 996.3985030864789,
"volume_molar": 8.333961164777877,
"formula_full": "Sr4 Cd4 P16 O48",
"formula_reduced": "SrCd(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -530.05589475,
"energy_per_atom": -7.361887427083333,
"energy_above_hull": null,
"is_stable": null,
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"band_gap": 4.4041,
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"is_theoretical": false,
"updated_at": "2021-11-28T01:36:29.976000Z",
"spacegroup": 14
},
{
"id": "mp-17693",
"created_at": "2022-09-04T14:46:38.247683Z",
"structure_string": "Sr4 Cd4 P8 O28\n1.0\n8.672255 0.000000 0.000000\n0.000000 5.508386 0.000000\n0.000000 5.469194 13.156898\nSr Cd P O\n4 4 8 28\ndirect\n0.324161 0.512948 0.770148 Sr\n0.824161 0.487052 0.729852 Sr\n0.675839 0.487052 0.229852 Sr\n0.175839 0.512948 0.270148 Sr\n0.355364 0.219645 0.093630 Cd\n0.855364 0.780355 0.406370 Cd\n0.644636 0.780355 0.906370 Cd\n0.144636 0.219645 0.593630 Cd\n0.216376 0.823913 0.473263 P\n0.716376 0.176087 0.026737 P\n0.783624 0.176087 0.526737 P\n0.283624 0.823913 0.973263 P\n0.468836 0.933095 0.324893 P\n0.968836 0.066905 0.175107 P\n0.531164 0.066905 0.675107 P\n0.031164 0.933095 0.824893 P\n0.116420 0.719728 0.406576 O\n0.616420 0.280272 0.093424 O\n0.883580 0.280272 0.593424 O\n0.383580 0.719728 0.906576 O\n0.174467 0.109219 0.456468 O\n0.674467 0.890781 0.043532 O\n0.825533 0.890781 0.543532 O\n0.325533 0.109219 0.956468 O\n0.213339 0.631760 0.584540 O\n0.713339 0.368240 0.915460 O\n0.786661 0.368240 0.415460 O\n0.286661 0.631760 0.084540 O\n0.446564 0.726864 0.278514 O\n0.946564 0.273136 0.221486 O\n0.553436 0.273136 0.721486 O\n0.053436 0.726864 0.778514 O\n0.106666 0.817942 0.938100 O\n0.606666 0.182058 0.561900 O\n0.893334 0.182058 0.061900 O\n0.393334 0.817942 0.438100 O\n0.863021 0.989965 0.840958 O\n0.363021 0.010035 0.659042 O\n0.136979 0.010035 0.159042 O\n0.636979 0.989965 0.340958 O\n0.111727 0.195972 0.763087 O\n0.611727 0.804028 0.736913 O\n0.888273 0.804028 0.236913 O\n0.388273 0.195972 0.263087 O\n",
"nsites": 44,
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"elements": [
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],
"chemical_system": "Cd-O-P-Sr",
"density": 3.9522186349786317,
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"volume": 628.5067019433084,
"volume_molar": 8.602172335695384,
"formula_full": "Sr4 Cd4 P8 O28",
"formula_reduced": "SrCdP2O7",
"formula_anonymous": "ABC2D7",
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"updated_at": "2021-11-28T01:37:43.278000Z",
"spacegroup": 14
},
{
"id": "mp-1102073",
"created_at": "2022-09-04T14:46:53.289724Z",
"structure_string": "Sr4 Cd4 Pt4\n1.0\n4.561306 0.000000 0.000000\n0.000000 7.595829 0.000000\n0.000000 0.000000 8.713198\nSr Cd Pt\n4 4 4\ndirect\n0.250000 0.029771 0.319508 Sr\n0.250000 0.529771 0.180492 Sr\n0.750000 0.970229 0.680492 Sr\n0.750000 0.470229 0.819508 Sr\n0.250000 0.144967 0.934390 Cd\n0.250000 0.644967 0.565610 Cd\n0.750000 0.855033 0.065610 Cd\n0.750000 0.355033 0.434390 Cd\n0.250000 0.269649 0.622981 Pt\n0.250000 0.769649 0.877019 Pt\n0.750000 0.730351 0.377019 Pt\n0.750000 0.230351 0.122981 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
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"Cd",
"Pt"
],
"chemical_system": "Cd-Pt-Sr",
"density": 8.693419471942558,
"density_atomic": 0.039750196092673044,
"volume": 301.8853032076463,
"volume_molar": 15.14996491076438,
"formula_full": "Sr4 Cd4 Pt4",
"formula_reduced": "SrCdPt",
"formula_anonymous": "ABC",
"energy": -42.86436841,
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"updated_at": "2021-11-28T01:37:38.526000Z",
"spacegroup": 62
},
{
"id": "mp-1218667",
"created_at": "2022-09-04T14:46:06.731602Z",
"structure_string": "Sr4 Ce1 Mn4 Co1 O15\n1.0\n2.752578 8.209526 0.000000\n-2.752578 8.209526 0.000000\n0.000000 1.817972 6.458923\nSr Ce Mn Co O\n4 1 4 1 15\ndirect\n0.401342 0.401342 0.900833 Sr\n0.999633 0.999633 0.498601 Sr\n0.600101 0.600101 0.100323 Sr\n0.198801 0.198801 0.699420 Sr\n0.802319 0.802319 0.294212 Ce\n0.599860 0.599860 0.601610 Mn\n0.199400 0.199400 0.199886 Mn\n0.799579 0.799579 0.800465 Mn\n0.399981 0.399981 0.399742 Mn\n0.000942 0.000942 0.994943 Co\n0.299898 0.299898 0.301654 O\n0.099487 0.099487 0.111211 O\n0.702403 0.702403 0.691401 O\n0.894486 0.894486 0.913211 O\n0.502934 0.502934 0.486496 O\n0.090634 0.606457 0.586997 O\n0.898613 0.418551 0.401020 O\n0.509310 0.994583 0.014997 O\n0.699324 0.181823 0.200105 O\n0.302006 0.797532 0.799877 O\n0.181823 0.699324 0.200105 O\n0.994583 0.509310 0.014997 O\n0.606457 0.090634 0.586997 O\n0.797532 0.302006 0.799877 O\n0.418551 0.898613 0.401020 O\n",
"nsites": 25,
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"elements": [
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],
"chemical_system": "Ce-Co-Mn-O-Sr",
"density": 5.741292374720532,
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"volume_molar": 7.0316737680536265,
"formula_full": "Sr4 Ce1 Mn4 Co1 O15",
"formula_reduced": "Sr4CeMn4CoO15",
"formula_anonymous": "ABC4D4E15",
"energy": -193.59426018,
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"updated_at": "2021-11-28T01:37:23.411000Z",
"spacegroup": 8
},
{
"id": "mp-1218672",
"created_at": "2022-09-04T14:46:53.235396Z",
"structure_string": "Sr4 Ce1 Mn5 O15\n1.0\n2.754091 8.274326 0.000000\n-2.754091 8.274326 0.000000\n0.000000 1.819536 6.463066\nSr Ce Mn O\n4 1 5 15\ndirect\n0.399242 0.399242 0.397699 Sr\n0.801392 0.801392 0.799832 Sr\n0.198608 0.198608 0.200168 Sr\n0.600758 0.600758 0.602301 Sr\n0.000000 0.000000 0.000000 Ce\n0.000000 0.000000 0.500000 Mn\n0.200454 0.200454 0.698500 Mn\n0.600080 0.600080 0.100164 Mn\n0.399920 0.399920 0.899836 Mn\n0.799546 0.799546 0.301500 Mn\n0.711659 0.194227 0.711430 O\n0.899426 0.379574 0.904518 O\n0.288341 0.805773 0.288570 O\n0.100574 0.620426 0.095482 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.702090 0.702090 0.187587 O\n0.096058 0.096058 0.611376 O\n0.903942 0.903942 0.388624 O\n0.297910 0.297910 0.812413 O\n0.000000 0.500000 0.500000 O\n0.194227 0.711659 0.711430 O\n0.620426 0.100574 0.095482 O\n0.379574 0.899426 0.904518 O\n0.805773 0.288341 0.288570 O\n",
"nsites": 25,
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"elements": [
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],
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"density": 5.667029074276107,
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"volume": 294.56388576742404,
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"formula_full": "Sr4 Ce1 Mn5 O15",
"formula_reduced": "Sr4CeMn5O15",
"formula_anonymous": "AB4C5D15",
"energy": -197.90140061,
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"updated_at": "2021-11-28T01:37:43Z",
"spacegroup": 12
},
{
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