GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical
HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept

{
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    "results": [
        {
            "id": "mp-25408",
            "created_at": "2022-09-04T14:45:54.186590Z",
            "structure_string": "Li2 Mn2 P2 C2 O14\n1.0\n6.218402 0.000000 0.000000\n0.000000 5.159730 0.000000\n0.000000 0.536939 8.678073\nLi Mn P C O\n2 2 2 2 14\ndirect\n0.975435 0.219773 0.204889 Li\n0.475435 0.780227 0.795111 Li\n0.753725 0.786714 0.340549 Mn\n0.253725 0.213286 0.659451 Mn\n0.257789 0.725684 0.430458 P\n0.757789 0.274316 0.569542 P\n0.747620 0.722210 0.067187 C\n0.247620 0.277790 0.932813 C\n0.450442 0.793497 0.323655 O\n0.757651 0.951517 0.127399 O\n0.266481 0.466246 0.821966 O\n0.766481 0.533754 0.178034 O\n0.563214 0.185060 0.671121 O\n0.767377 0.136248 0.416877 O\n0.950442 0.206503 0.676345 O\n0.257651 0.048483 0.872601 O\n0.063214 0.814940 0.328879 O\n0.246565 0.427914 0.470960 O\n0.716900 0.686983 0.930002 O\n0.216900 0.313017 0.069998 O\n0.746565 0.572086 0.529040 O\n0.267377 0.863752 0.583123 O\n",
            "nsites": 22,
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                "Li",
                "Mn",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Li-Mn-O-P",
            "density": 2.5865929464480057,
            "density_atomic": 0.07901210114762404,
            "volume": 278.4383617250705,
            "volume_molar": 7.621795487691686,
            "formula_full": "Li2 Mn2 P2 C2 O14",
            "formula_reduced": "LiMnPCO7",
            "formula_anonymous": "ABCDE7",
            "energy": -168.85537612000002,
            "energy_per_atom": -7.67524436909091,
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            "updated_at": "2021-11-28T01:37:10.807000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-626268",
            "created_at": "2022-09-04T14:45:54.464391Z",
            "structure_string": "Ba2 H32 O20\n1.0\n4.605784 4.604469 0.000000\n-4.605784 4.604469 0.000000\n0.000000 0.004017 11.364858\nBa H O\n2 32 20\ndirect\n0.998137 0.001863 0.750000 Ba\n0.001863 0.998137 0.250000 Ba\n0.725250 0.597941 0.651873 H\n0.853008 0.665462 0.537614 H\n0.282854 0.405410 0.643070 H\n0.044483 0.460489 0.628070 H\n0.406291 0.728124 0.651747 H\n0.334211 0.854001 0.538181 H\n0.540509 0.046002 0.627694 H\n0.597742 0.284178 0.643530 H\n0.284178 0.597742 0.143530 H\n0.046002 0.540509 0.127694 H\n0.728124 0.406291 0.151747 H\n0.854001 0.334211 0.038181 H\n0.597941 0.725250 0.151873 H\n0.665462 0.853008 0.037614 H\n0.405410 0.282854 0.143070 H\n0.460489 0.044483 0.128070 H\n0.274750 0.402059 0.348127 H\n0.146992 0.334538 0.462386 H\n0.717146 0.594590 0.356930 H\n0.955517 0.539511 0.371930 H\n0.593709 0.271876 0.348253 H\n0.665789 0.145999 0.461819 H\n0.459491 0.953998 0.372306 H\n0.402258 0.715822 0.356470 H\n0.953998 0.459491 0.872306 H\n0.715822 0.402258 0.856470 H\n0.271876 0.593709 0.848253 H\n0.145999 0.665789 0.961819 H\n0.402059 0.274750 0.848127 H\n0.334538 0.146992 0.962386 H\n0.539511 0.955517 0.871930 H\n0.594590 0.717146 0.856930 H\n0.502996 0.504355 0.684335 O\n0.504355 0.502996 0.184335 O\n0.497004 0.495645 0.315665 O\n0.495645 0.497004 0.815665 O\n0.862885 0.656476 0.625012 O\n0.145150 0.345177 0.618883 O\n0.344398 0.864308 0.625431 O\n0.656102 0.146151 0.618075 O\n0.146151 0.656102 0.118075 O\n0.864308 0.344398 0.125431 O\n0.656476 0.862885 0.125012 O\n0.345177 0.145150 0.118883 O\n0.137115 0.343524 0.374988 O\n0.854850 0.654823 0.381117 O\n0.655602 0.135692 0.374569 O\n0.343898 0.853849 0.381925 O\n0.853849 0.343898 0.881925 O\n0.135692 0.655602 0.874569 O\n0.343524 0.137115 0.874988 O\n0.654823 0.854850 0.881117 O\n",
            "nsites": 54,
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            "elements": [
                "Ba",
                "H",
                "O"
            ],
            "chemical_system": "Ba-H-O",
            "density": 2.159571175216919,
            "density_atomic": 0.11202543275689635,
            "volume": 482.0333978729998,
            "volume_molar": 5.375690690763499,
            "formula_full": "Ba2 H32 O20",
            "formula_reduced": "Ba(H8O5)2",
            "formula_anonymous": "AB10C16",
            "energy": -286.84215228,
            "energy_per_atom": -5.311891708888889,
            "energy_above_hull": null,
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            "energy_uncorrected": -273.10215228,
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            "total_magnetization": 0.0002194,
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            "updated_at": "2021-11-28T01:37:14.987000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-1093986",
            "created_at": "2022-09-04T14:45:54.352919Z",
            "structure_string": "Zr2 Tl1 Tc1\n1.0\n-5.296662 7.270478 10.562975\n5.296662 -7.270478 10.562975\n5.296662 7.270478 -10.562975\nZr Tl Tc\n2 1 1\ndirect\n0.000000 0.211325 0.211325 Zr\n0.000000 0.788675 0.788675 Zr\n0.000000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Tc\n",
            "nsites": 4,
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            "elements": [
                "Zr",
                "Tl",
                "Tc"
            ],
            "chemical_system": "Tc-Tl-Zr",
            "density": 0.4947983915758999,
            "density_atomic": 0.0024583772235178742,
            "volume": 1627.0895946050555,
            "volume_molar": 244.96406419607453,
            "formula_full": "Zr2 Tl1 Tc1",
            "formula_reduced": "Zr2TlTc",
            "formula_anonymous": "ABC2",
            "energy": -18.07053743,
            "energy_per_atom": -4.5176343575,
            "energy_above_hull": null,
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            "band_gap": 0.0,
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            "total_magnetization": 1.9995947,
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            "updated_at": "2021-11-28T01:37:11.975000Z",
            "spacegroup": 71
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        {
            "id": "mp-1247647",
            "created_at": "2022-09-04T14:45:54.383857Z",
            "structure_string": "Sr4 Ca28 Ti8 Mn24 O88\n1.0\n10.922030 -0.027744 -0.104645\n-0.038092 15.774318 0.003729\n-0.102557 0.001830 10.888556\nSr Ca Ti Mn O\n4 28 8 24 88\ndirect\n0.988400 0.116928 0.512058 Sr\n0.501754 0.390906 0.001790 Sr\n0.243312 0.392988 0.247518 Sr\n0.223665 0.119927 0.226380 Sr\n0.980228 0.114722 0.012966 Ca\n0.011064 0.625894 0.495720 Ca\n0.012734 0.626723 0.996548 Ca\n0.546039 0.123877 0.483962 Ca\n0.545873 0.119509 0.983836 Ca\n0.523403 0.624851 0.499918 Ca\n0.523205 0.624828 0.001344 Ca\n0.497836 0.394452 0.504358 Ca\n0.498984 0.852764 0.997507 Ca\n0.497584 0.854122 0.498168 Ca\n0.965193 0.394381 0.000291 Ca\n0.961997 0.393136 0.498612 Ca\n0.966310 0.863213 0.007724 Ca\n0.965976 0.863820 0.509317 Ca\n0.236092 0.397683 0.736223 Ca\n0.231270 0.855642 0.259968 Ca\n0.231443 0.858387 0.758163 Ca\n0.736282 0.398906 0.256647 Ca\n0.730591 0.392621 0.751870 Ca\n0.727556 0.859221 0.247602 Ca\n0.728961 0.858949 0.747618 Ca\n0.223583 0.113854 0.736641 Ca\n0.269086 0.628309 0.258913 Ca\n0.270387 0.628716 0.759145 Ca\n0.770376 0.118079 0.247976 Ca\n0.776527 0.119862 0.754837 Ca\n0.768121 0.625138 0.253823 Ca\n0.769544 0.625302 0.756998 Ca\n0.988283 0.985265 0.260961 Ti\n0.988998 0.986532 0.761041 Ti\n0.233744 0.986447 0.007698 Ti\n0.232753 0.990973 0.513630 Ti\n0.264383 0.235043 0.932872 Ti\n0.271102 0.232840 0.450639 Ti\n0.974578 0.258681 0.271131 Ti\n0.986556 0.258777 0.774919 Ti\n0.003133 0.505417 0.246866 Mn\n0.002521 0.503817 0.748028 Mn\n0.502936 0.988788 0.229557 Mn\n0.505775 0.988275 0.735098 Mn\n0.498787 0.507405 0.252384 Mn\n0.496749 0.507307 0.750683 Mn\n0.249941 0.512073 0.000286 Mn\n0.248255 0.513235 0.504062 Mn\n0.745588 0.993560 0.993776 Mn\n0.739992 0.995077 0.492900 Mn\n0.750584 0.505756 0.001174 Mn\n0.749017 0.506446 0.504842 Mn\n0.250234 0.747673 0.007904 Mn\n0.249010 0.749402 0.507404 Mn\n0.748088 0.251643 0.005687 Mn\n0.744538 0.252594 0.507014 Mn\n0.751453 0.745328 0.000889 Mn\n0.750181 0.746156 0.500407 Mn\n0.000663 0.746680 0.250813 Mn\n0.001778 0.745950 0.750642 Mn\n0.522435 0.258446 0.254012 Mn\n0.515490 0.256476 0.752206 Mn\n0.498644 0.745455 0.254037 Mn\n0.498931 0.745493 0.753512 Mn\n0.107764 0.778282 0.110162 O\n0.110278 0.778501 0.607171 O\n0.586415 0.246833 0.087490 O\n0.584759 0.256200 0.584881 O\n0.609849 0.761812 0.112962 O\n0.611777 0.761224 0.610991 O\n0.397502 0.191013 0.354641 O\n0.396483 0.182076 0.854590 O\n0.395880 0.729597 0.401333 O\n0.393083 0.728699 0.904616 O\n0.905291 0.247924 0.419991 O\n0.918536 0.245128 0.925990 O\n0.897527 0.730794 0.393178 O\n0.894174 0.730972 0.896253 O\n0.156905 0.250540 0.328232 O\n0.173475 0.255922 0.790226 O\n0.149413 0.735804 0.354321 O\n0.148671 0.735125 0.855483 O\n0.661292 0.223085 0.356096 O\n0.664073 0.226884 0.853099 O\n0.644450 0.726790 0.357024 O\n0.644503 0.726773 0.859818 O\n0.355850 0.769650 0.149345 O\n0.355653 0.770705 0.646756 O\n0.843117 0.272068 0.161607 O\n0.859621 0.270497 0.660708 O\n0.859281 0.771308 0.144821 O\n0.860754 0.770341 0.643715 O\n0.361779 0.492423 0.137288 O\n0.355170 0.492265 0.642687 O\n0.364693 0.027565 0.108956 O\n0.354265 0.016619 0.637156 O\n0.862971 0.483941 0.141305 O\n0.859260 0.479814 0.643416 O\n0.858304 0.977210 0.143759 O\n0.857759 0.981687 0.646609 O\n0.146236 0.015235 0.364511 O\n0.158902 0.008808 0.857747 O\n0.145818 0.519744 0.354358 O\n0.151750 0.516683 0.848869 O\n0.631287 0.029986 0.346932 O\n0.640070 0.025788 0.847770 O\n0.641808 0.523950 0.363063 O\n0.641722 0.520651 0.857587 O\n0.388898 0.516207 0.399409 O\n0.393351 0.521061 0.894398 O\n0.884880 0.011634 0.389293 O\n0.893611 0.011074 0.896254 O\n0.889257 0.515819 0.394484 O\n0.897888 0.518599 0.889911 O\n0.111681 0.478703 0.098202 O\n0.108146 0.475011 0.600892 O\n0.108433 0.981197 0.115132 O\n0.104775 0.977839 0.613612 O\n0.616666 0.494427 0.120209 O\n0.608697 0.489592 0.614275 O\n0.602369 0.982728 0.082212 O\n0.595388 0.985655 0.580867 O\n0.007834 0.375238 0.278097 O\n0.012634 0.376958 0.787596 O\n0.007951 0.873857 0.295225 O\n0.007769 0.875052 0.794868 O\n0.500337 0.381960 0.279244 O\n0.493839 0.381084 0.771451 O\n0.504270 0.868513 0.283578 O\n0.505794 0.867637 0.784580 O\n0.484187 0.627098 0.215483 O\n0.486043 0.626483 0.712853 O\n0.991003 0.135897 0.226827 O\n0.001933 0.131981 0.740370 O\n0.993011 0.628796 0.212392 O\n0.993706 0.622566 0.711440 O\n0.186437 0.151939 0.013882 O\n0.217874 0.140503 0.534431 O\n0.228663 0.633203 0.043477 O\n0.228698 0.633755 0.543051 O\n0.758501 0.120096 0.032707 O\n0.752562 0.127726 0.540656 O\n0.750036 0.626341 0.037968 O\n0.750233 0.625110 0.541321 O\n0.300222 0.330642 0.529584 O\n0.290660 0.327866 0.022714 O\n0.279804 0.884871 0.469418 O\n0.277924 0.878929 0.973875 O\n0.743035 0.378437 0.472845 O\n0.746980 0.380450 0.970241 O\n0.748048 0.869422 0.463755 O\n0.749766 0.870129 0.961644 O\n",
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            "chemical_system": "Ca-Mn-O-Sr-Ti",
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            "volume": 1875.7820471171092,
            "volume_molar": 7.431726001855385,
            "formula_full": "Sr4 Ca28 Ti8 Mn24 O88",
            "formula_reduced": "SrCa7Ti2Mn6O22",
            "formula_anonymous": "AB2C6D7E22",
            "energy": -1203.6212502,
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        {
            "id": "mp-1027594",
            "created_at": "2022-09-04T14:45:54.455183Z",
            "structure_string": "Mo2 W2 Se2 S6\n1.0\n1.611087 -2.790484 0.000000\n1.611087 2.790484 0.000000\n0.000000 0.000000 36.390907\nMo W Se S\n2 2 2 6\ndirect\n0.000000 0.000000 0.093923 Mo\n0.333333 0.666667 0.281787 Mo\n0.000000 0.000000 0.469656 W\n0.333333 0.666667 0.657551 W\n0.333333 0.666667 0.422391 Se\n0.333333 0.666667 0.516925 Se\n0.000000 0.000000 0.324519 S\n0.000000 0.000000 0.700449 S\n0.333333 0.666667 0.051167 S\n0.333333 0.666667 0.136674 S\n0.000000 0.000000 0.239050 S\n0.000000 0.000000 0.614656 S\n",
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            "volume": 327.2061106892082,
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            "formula_full": "Mo2 W2 Se2 S6",
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        {
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}