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{
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{
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},
{
"id": "mp-1040786",
"created_at": "2022-09-04T14:45:00.297261Z",
"structure_string": "Zn2 W4 O8\n1.0\n5.373151 -3.259265 0.000000\n5.373151 3.259265 0.000000\n3.396135 0.000000 5.287705\nZn W O\n2 4 8\ndirect\n0.006078 0.006078 0.006078 Zn\n0.631588 0.631588 0.631588 Zn\n0.220364 0.220364 0.220364 W\n0.624200 0.123844 0.624200 W\n0.624200 0.624200 0.123844 W\n0.123844 0.624200 0.624200 W\n0.850760 0.387862 0.387862 O\n0.387862 0.387862 0.850760 O\n0.387862 0.850760 0.387862 O\n0.386653 0.386653 0.386653 O\n0.868314 0.868314 0.868314 O\n0.868759 0.400757 0.868759 O\n0.868759 0.868759 0.400757 O\n0.400757 0.868759 0.868759 O\n",
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{
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"energy": -24.19978405,
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},
{
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"formula_full": "Mo4 O8",
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{
"id": "mp-753063",
"created_at": "2022-09-04T14:45:00.362227Z",
"structure_string": "Li6 Cu2 F12\n1.0\n4.162744 -4.254076 0.000000\n4.162744 4.254076 0.000000\n-0.184668 0.000000 5.949076\nLi Cu F\n6 2 12\ndirect\n0.249019 0.068203 0.558243 Li\n0.558243 0.249019 0.068203 Li\n0.931797 0.441757 0.750981 Li\n0.068203 0.558243 0.249019 Li\n0.441757 0.750981 0.931797 Li\n0.750981 0.931797 0.441757 Li\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.500000 Cu\n0.925122 0.072628 0.694927 F\n0.305073 0.074878 0.927372 F\n0.546705 0.194833 0.404366 F\n0.927372 0.305073 0.074878 F\n0.194833 0.404366 0.546705 F\n0.595634 0.453295 0.805167 F\n0.404366 0.546705 0.194833 F\n0.805167 0.595634 0.453295 F\n0.072628 0.694927 0.925122 F\n0.453295 0.805167 0.595634 F\n0.694927 0.925122 0.072628 F\n0.074878 0.927372 0.305073 F\n",
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{
"id": "mp-756597",
"created_at": "2022-09-04T14:45:00.440924Z",
"structure_string": "Li4 Hf2 O6\n1.0\n4.659056 2.699494 0.000000\n-4.659056 2.699494 0.000000\n0.000000 1.819899 4.956373\nLi Hf O\n4 2 6\ndirect\n0.158110 0.841890 0.000000 Li\n0.841890 0.158110 0.000000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Li\n0.666408 0.333592 0.500000 Hf\n0.333592 0.666408 0.500000 Hf\n0.430792 0.079062 0.268524 O\n0.569208 0.920938 0.731476 O\n0.079062 0.430792 0.268524 O\n0.276326 0.276326 0.735669 O\n0.920938 0.569208 0.731476 O\n0.723674 0.723674 0.264331 O\n",
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{
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"structure_string": "Tb2 Cr2 C3\n1.0\n1.697976 5.202183 0.000000\n-1.697976 5.202183 0.000000\n0.000000 1.519899 5.400049\nTb Cr C\n2 2 3\ndirect\n0.395346 0.395346 0.317143 Tb\n0.604654 0.604654 0.682857 Tb\n0.157414 0.157414 0.107491 Cr\n0.842586 0.842586 0.892509 Cr\n0.712581 0.712581 0.228449 C\n0.287419 0.287419 0.771551 C\n0.000000 0.000000 0.000000 C\n",
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{
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"structure_string": "Li12 V6 P16 O58\n1.0\n4.916432 8.531941 0.000000\n-4.916432 8.531941 0.000000\n0.000000 0.039311 13.954148\nLi V P O\n12 6 16 58\ndirect\n0.907733 0.775329 0.688553 Li\n0.905515 0.321037 0.190270 Li\n0.666860 0.666560 0.866213 Li\n0.778105 0.315371 0.690506 Li\n0.312088 0.915220 0.689117 Li\n0.684629 0.221895 0.309494 Li\n0.318014 0.773116 0.191106 Li\n0.678963 0.094485 0.809730 Li\n0.226884 0.681986 0.808894 Li\n0.333440 0.333140 0.133787 Li\n0.084780 0.687912 0.310883 Li\n0.224671 0.092267 0.311447 Li\n0.568384 0.431616 0.500000 V\n0.434143 0.565857 0.000000 V\n0.568984 0.996047 0.004297 V\n0.432967 0.001855 0.498970 V\n0.998145 0.567033 0.501030 V\n0.003953 0.431016 0.995703 V\n0.911537 0.770196 0.909467 P\n0.768858 0.914150 0.409843 P\n0.912487 0.320980 0.407146 P\n0.664596 0.666855 0.624494 P\n0.667999 0.663386 0.123193 P\n0.771000 0.320343 0.908496 P\n0.679657 0.229000 0.091504 P\n0.320340 0.910978 0.905620 P\n0.679020 0.087513 0.592854 P\n0.320463 0.767939 0.409391 P\n0.232061 0.679537 0.590609 P\n0.333145 0.335404 0.375506 P\n0.336614 0.332001 0.876807 P\n0.089022 0.679660 0.094380 P\n0.229804 0.088463 0.090533 P\n0.085850 0.231142 0.590157 P\n0.003963 0.755648 0.184980 O\n0.913656 0.745805 0.412459 O\n0.757477 0.002046 0.684613 O\n0.748594 0.919884 0.908559 O\n0.887450 0.626760 0.924015 O\n0.812811 0.673655 0.586671 O\n0.898159 0.480199 0.426240 O\n0.994831 0.238015 0.676952 O\n0.915313 0.339181 0.910533 O\n0.660391 0.814702 0.077498 O\n0.617387 0.905208 0.427754 O\n0.819353 0.517309 0.081467 O\n0.667053 0.665819 0.732811 O\n0.661828 0.664323 0.229459 O\n0.672642 0.512813 0.586560 O\n0.485985 0.889926 0.923170 O\n0.512539 0.813636 0.585864 O\n0.748941 0.333718 0.409817 O\n0.786030 0.213970 0.000000 O\n0.756424 0.246701 0.180937 O\n0.753299 0.243576 0.819063 O\n0.624186 0.486549 0.923684 O\n0.518084 0.662458 0.080688 O\n0.666282 0.251059 0.590183 O\n0.480217 0.619274 0.427681 O\n0.335413 0.916860 0.409196 O\n0.793203 0.993544 0.505244 O\n0.761985 0.005169 0.323048 O\n0.246100 0.996389 0.181102 O\n0.660819 0.084687 0.089467 O\n0.513451 0.375814 0.076316 O\n0.334710 0.746692 0.909456 O\n0.487187 0.327358 0.413440 O\n0.380726 0.519783 0.572319 O\n0.243050 0.758020 0.681659 O\n0.241980 0.756950 0.318341 O\n0.209573 0.790427 0.500000 O\n0.253308 0.665290 0.090544 O\n0.482691 0.180647 0.918533 O\n0.519801 0.101841 0.573760 O\n0.337542 0.481916 0.919312 O\n0.335677 0.338172 0.770541 O\n0.334181 0.332947 0.267189 O\n0.186364 0.487461 0.414136 O\n0.373240 0.112550 0.075985 O\n0.326345 0.187189 0.413329 O\n0.083140 0.664587 0.590804 O\n0.000452 0.784938 0.001361 O\n0.003611 0.753900 0.818898 O\n0.110074 0.514015 0.076830 O\n0.185298 0.339609 0.922502 O\n0.094792 0.382613 0.572246 O\n0.254195 0.086344 0.587541 O\n0.244352 0.996037 0.815020 O\n0.215062 0.999548 0.998639 O\n0.080116 0.251406 0.091441 O\n0.997954 0.242523 0.315387 O\n0.006456 0.206797 0.494756 O\n",
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{
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"structure_string": "Ba8 Cu8 O20\n1.0\n4.138546 0.000000 0.000000\n0.000000 11.543447 0.000000\n0.000000 0.000000 13.764751\nBa Cu O\n8 8 20\ndirect\n0.258290 0.054338 0.860517 Ba\n0.259004 0.194100 0.543682 Ba\n0.759004 0.305900 0.043682 Ba\n0.758290 0.445662 0.360517 Ba\n0.241710 0.554338 0.860517 Ba\n0.240996 0.694100 0.543682 Ba\n0.740996 0.805900 0.043682 Ba\n0.741710 0.945662 0.360517 Ba\n0.234393 0.018567 0.156420 Cu\n0.271435 0.234538 0.249718 Cu\n0.771435 0.265462 0.749718 Cu\n0.734393 0.481433 0.656420 Cu\n0.265607 0.518567 0.156420 Cu\n0.228565 0.734538 0.249718 Cu\n0.728565 0.765462 0.749718 Cu\n0.765607 0.981433 0.656420 Cu\n0.230697 0.079827 0.283724 O\n0.725516 0.035876 0.531480 O\n0.906271 0.124054 0.700896 O\n0.273995 0.173142 0.123108 O\n0.743181 0.209498 0.874455 O\n0.243181 0.290502 0.374455 O\n0.773995 0.326858 0.623108 O\n0.406271 0.375946 0.200896 O\n0.225516 0.464124 0.031480 O\n0.730697 0.420173 0.783724 O\n0.269303 0.579827 0.283724 O\n0.774484 0.535876 0.531480 O\n0.593729 0.624054 0.700896 O\n0.226005 0.673142 0.123108 O\n0.756819 0.709498 0.874455 O\n0.256819 0.790502 0.374455 O\n0.726005 0.826858 0.623108 O\n0.093729 0.875946 0.200896 O\n0.274484 0.964124 0.031480 O\n0.769303 0.920173 0.783724 O\n",
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],
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"formula_full": "Ba8 Cu8 O20",
"formula_reduced": "Ba2Cu2O5",
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"updated_at": "2021-11-28T01:36:48.611000Z",
"spacegroup": 33
},
{
"id": "mp-1215565",
"created_at": "2022-09-04T14:45:00.242683Z",
"structure_string": "Zn2 Ga1 Cu1 Te4\n1.0\n-3.069102 3.069102 6.113880\n3.069102 -3.069102 6.113880\n3.069102 3.069102 -6.113880\nZn Ga Cu Te\n2 1 1 4\ndirect\n0.750000 0.250000 0.500000 Zn\n0.250000 0.750000 0.500000 Zn\n0.500000 0.500000 0.000000 Ga\n0.000000 0.000000 0.000000 Cu\n0.366973 0.366973 0.488829 Te\n0.121856 0.633027 0.000000 Te\n0.878144 0.878144 0.511171 Te\n0.633027 0.121856 0.000000 Te\n",
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],
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"volume": 230.35600927929474,
"volume_molar": 17.34045390989724,
"formula_full": "Zn2 Ga1 Cu1 Te4",
"formula_reduced": "Zn2GaCuTe4",
"formula_anonymous": "ABC2D4",
"energy": -26.90659662,
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"updated_at": "2021-11-28T01:36:47.541000Z",
"spacegroup": 121
},
{
"id": "mp-617407",
"created_at": "2022-09-04T14:45:00.261470Z",
"structure_string": "Na8 Eu4 Cl20\n1.0\n7.914092 0.000000 0.000000\n0.000000 8.565406 0.000000\n0.000000 0.000000 12.387650\nNa Eu Cl\n8 4 20\ndirect\n0.033947 0.001522 0.827469 Na\n0.466053 0.498478 0.327469 Na\n0.466053 0.001522 0.327469 Na\n0.533947 0.501522 0.672531 Na\n0.033947 0.498478 0.827469 Na\n0.533947 0.998478 0.672531 Na\n0.966053 0.998478 0.172531 Na\n0.966053 0.501522 0.172531 Na\n0.420614 0.750000 0.006548 Eu\n0.079386 0.750000 0.506548 Eu\n0.579386 0.250000 0.993452 Eu\n0.920614 0.250000 0.493452 Eu\n0.055212 0.750000 0.006108 Cl\n0.141156 0.250000 0.316492 Cl\n0.358844 0.250000 0.816492 Cl\n0.820133 0.250000 0.713514 Cl\n0.166230 0.454336 0.588634 Cl\n0.666230 0.954336 0.911366 Cl\n0.444788 0.750000 0.506108 Cl\n0.858844 0.750000 0.683508 Cl\n0.320133 0.750000 0.786486 Cl\n0.666230 0.545664 0.911366 Cl\n0.333770 0.454336 0.088634 Cl\n0.679867 0.250000 0.213514 Cl\n0.179867 0.750000 0.286486 Cl\n0.333770 0.045664 0.088634 Cl\n0.944788 0.250000 0.993892 Cl\n0.166230 0.045664 0.588634 Cl\n0.641156 0.750000 0.183508 Cl\n0.833770 0.545664 0.411366 Cl\n0.833770 0.954336 0.411366 Cl\n0.555212 0.250000 0.493892 Cl\n",
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"chemical_system": "Cl-Eu-Na",
"density": 2.967862849850341,
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"volume": 839.726723129663,
"volume_molar": 15.802976645688682,
"formula_full": "Na8 Eu4 Cl20",
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"updated_at": "2021-11-28T01:36:47.619000Z",
"spacegroup": 62
}
]
}