HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=106",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=104",
"results": [
{
"id": "mp-557659",
"created_at": "2022-09-04T14:47:13.128643Z",
"structure_string": "K2 V8 P14 O48\n1.0\n10.264588 0.000000 0.000000\n-2.585367 10.050253 0.000000\n-4.006306 -4.639485 8.944650\nK V P O\n2 8 14 48\ndirect\n0.540714 0.249103 0.674682 K\n0.459286 0.750897 0.325318 K\n0.986368 0.830252 0.411796 V\n0.499402 0.895192 0.745117 V\n0.999968 0.385526 0.075088 V\n0.489272 0.338451 0.113959 V\n0.500598 0.104808 0.254883 V\n0.510728 0.661549 0.886041 V\n0.000032 0.614474 0.924912 V\n0.013632 0.169748 0.588204 V\n0.807376 0.376989 0.565302 P\n0.749997 0.541291 0.052467 P\n0.260502 0.035508 0.759444 P\n0.802706 0.059020 0.739005 P\n0.772597 0.780841 0.773163 P\n0.250003 0.458709 0.947533 P\n0.249314 0.390945 0.521904 P\n0.267316 0.823393 0.883810 P\n0.732684 0.176607 0.116190 P\n0.192624 0.623011 0.434698 P\n0.197294 0.940980 0.260995 P\n0.739498 0.964492 0.240556 P\n0.750686 0.609055 0.478096 P\n0.227403 0.219159 0.226837 P\n0.838759 0.440502 0.726920 O\n0.871210 0.497181 0.009551 O\n0.880399 0.972842 0.369567 O\n0.307333 0.336556 0.401447 O\n0.363393 0.591313 0.951252 O\n0.394161 0.490944 0.669218 O\n0.636607 0.408687 0.048748 O\n0.910436 0.302731 0.539072 O\n0.089564 0.697269 0.460928 O\n0.865293 0.314208 0.156659 O\n0.854561 0.749904 0.492338 O\n0.837537 0.678218 0.203211 O\n0.379089 0.782772 0.826516 O\n0.139172 0.058004 0.206110 O\n0.627100 0.992480 0.296939 O\n0.692667 0.663444 0.598553 O\n0.885412 0.742483 0.869656 O\n0.372900 0.007520 0.703061 O\n0.162463 0.321782 0.796789 O\n0.114588 0.257517 0.130344 O\n0.652873 0.565270 0.920449 O\n0.643738 0.059896 0.953698 O\n0.126391 0.792084 0.124504 O\n0.119601 0.027158 0.630433 O\n0.366371 0.722006 0.538468 O\n0.356262 0.940104 0.046302 O\n0.152532 0.479839 0.470047 O\n0.847468 0.520161 0.529953 O\n0.620911 0.217228 0.173484 O\n0.633629 0.277994 0.461532 O\n0.186074 0.895403 0.782789 O\n0.813926 0.104597 0.217211 O\n0.605839 0.509056 0.330782 O\n0.145439 0.250096 0.507662 O\n0.347127 0.434730 0.079551 O\n0.145349 0.933997 0.373239 O\n0.161241 0.559498 0.273080 O\n0.873609 0.207916 0.875496 O\n0.365335 0.220744 0.200785 O\n0.134707 0.685792 0.843341 O\n0.625852 0.985500 0.661911 O\n0.338310 0.174848 0.905138 O\n0.374148 0.014500 0.338089 O\n0.128790 0.502819 0.990449 O\n0.860828 0.941996 0.793890 O\n0.854651 0.066003 0.626761 O\n0.634665 0.779256 0.799215 O\n0.661690 0.825152 0.094862 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"K",
"V",
"P",
"O"
],
"chemical_system": "K-O-P-V",
"density": 3.036462293039392,
"density_atomic": 0.07802802743290235,
"volume": 922.7453566209147,
"volume_molar": 7.717920032232703,
"formula_full": "K2 V8 P14 O48",
"formula_reduced": "KV4P7O24",
"formula_anonymous": "AB4C7D24",
"energy": -582.36791342,
"energy_per_atom": -8.088443241944445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -535.79191342,
"band_gap": 1.9235,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999996,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.160000Z",
"spacegroup": 2
},
{
"id": "mp-1209887",
"created_at": "2022-09-04T14:47:16.882560Z",
"structure_string": "Nb4 Fe4 Si4\n1.0\n3.682838 0.000000 0.000000\n0.000000 6.231309 0.000000\n0.000000 0.000000 7.132816\nNb Fe Si\n4 4 4\ndirect\n0.250000 0.524298 0.182051 Nb\n0.750000 0.475702 0.817949 Nb\n0.750000 0.975702 0.682051 Nb\n0.250000 0.024298 0.317949 Nb\n0.250000 0.640960 0.560256 Fe\n0.750000 0.359040 0.439744 Fe\n0.750000 0.859040 0.060256 Fe\n0.250000 0.140960 0.939744 Fe\n0.250000 0.771710 0.877810 Si\n0.750000 0.228290 0.122190 Si\n0.750000 0.728290 0.377810 Si\n0.250000 0.271710 0.622190 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Nb",
"Fe",
"Si"
],
"chemical_system": "Fe-Nb-Si",
"density": 7.175613005873237,
"density_atomic": 0.07330917324868322,
"volume": 163.6902923361715,
"volume_molar": 8.214716512449785,
"formula_full": "Nb4 Fe4 Si4",
"formula_reduced": "NbFeSi",
"formula_anonymous": "ABC",
"energy": -102.95860971,
"energy_per_atom": -8.579884142500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.24260971,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6384535,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.187000Z",
"spacegroup": 62
},
{
"id": "mp-1186195",
"created_at": "2022-09-04T14:47:12.095394Z",
"structure_string": "Na1 Np3\n1.0\n-2.332097 2.332097 4.323652\n2.332097 -2.332097 4.323652\n2.332097 2.332097 -4.323652\nNa Np\n1 3\ndirect\n0.000000 0.000000 0.000000 Na\n0.750000 0.250000 0.500000 Np\n0.250000 0.750000 0.500000 Np\n0.500000 0.500000 0.000000 Np\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Na",
"Np"
],
"chemical_system": "Na-Np",
"density": 12.95791601278703,
"density_atomic": 0.04252614817167031,
"volume": 94.05977667793304,
"volume_molar": 14.16103037521695,
"formula_full": "Na1 Np3",
"formula_reduced": "NaNp3",
"formula_anonymous": "AB3",
"energy": -35.80313267,
"energy_per_atom": -8.9507831675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.80313267,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.6314594,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.584000Z",
"spacegroup": 139
},
{
"id": "mp-1378086",
"created_at": "2022-09-04T14:47:15.211970Z",
"structure_string": "V4 Zn4 O12\n1.0\n5.150506 0.000000 0.000000\n0.000000 5.153864 0.000000\n0.000000 0.000000 7.643512\nV Zn O\n4 4 12\ndirect\n0.000000 0.000000 0.500000 V\n0.500000 0.500000 0.500000 V\n0.500000 0.500000 0.000000 V\n0.000000 0.000000 0.000000 V\n0.966442 0.493136 0.750000 Zn\n0.533558 0.993136 0.250000 Zn\n0.466442 0.006864 0.750000 Zn\n0.033558 0.506864 0.250000 Zn\n0.427214 0.613811 0.250000 O\n0.072786 0.113811 0.750000 O\n0.927214 0.886189 0.250000 O\n0.572786 0.386189 0.750000 O\n0.691350 0.829747 0.937865 O\n0.808650 0.329747 0.062135 O\n0.191350 0.670253 0.562135 O\n0.308650 0.170253 0.437865 O\n0.691350 0.829747 0.562135 O\n0.808650 0.329747 0.437865 O\n0.308650 0.170253 0.062135 O\n0.191350 0.670253 0.937865 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"V",
"Zn",
"O"
],
"chemical_system": "O-V-Zn",
"density": 5.380214103185048,
"density_atomic": 0.09857214160962152,
"volume": 202.89708302378835,
"volume_molar": 6.1093739688132995,
"formula_full": "V4 Zn4 O12",
"formula_reduced": "VZnO3",
"formula_anonymous": "ABC3",
"energy": -143.24038763,
"energy_per_atom": -7.1620193814999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.19638763,
"band_gap": 0.8621000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9999889,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:00.263000Z",
"spacegroup": 62
},
{
"id": "mp-20597",
"created_at": "2022-09-04T14:47:16.765108Z",
"structure_string": "Tb4 Mn4 Si4\n1.0\n4.116275 0.000000 0.000000\n0.000000 7.034896 0.000000\n0.000000 0.000000 7.580329\nTb Mn Si\n4 4 4\ndirect\n0.250000 0.507167 0.185597 Tb\n0.750000 0.492833 0.814403 Tb\n0.250000 0.007167 0.314403 Tb\n0.750000 0.992833 0.685597 Tb\n0.750000 0.863288 0.058486 Mn\n0.250000 0.136712 0.941514 Mn\n0.750000 0.363288 0.441514 Mn\n0.250000 0.636712 0.558486 Mn\n0.250000 0.789872 0.890018 Si\n0.750000 0.210128 0.109982 Si\n0.250000 0.289872 0.609982 Si\n0.750000 0.710128 0.390018 Si\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tb",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Tb",
"density": 7.321205776998574,
"density_atomic": 0.05466774097552325,
"volume": 219.50788135498115,
"volume_molar": 11.015894662075633,
"formula_full": "Tb4 Mn4 Si4",
"formula_reduced": "TbMnSi",
"formula_anonymous": "ABC",
"energy": -82.62103861,
"energy_per_atom": -6.885086550833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.90503861,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.7170273,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:01.696000Z",
"spacegroup": 62
},
{
"id": "mp-1099665",
"created_at": "2022-09-04T14:47:15.391283Z",
"structure_string": "Sr16 Ca16 Fe8 Co24 O80\n1.0\n-0.013638 -0.005172 10.787133\n11.237521 -0.001924 -0.014183\n-5.614441 15.635666 -5.393327\nSr Ca Fe Co O\n16 16 8 24 80\ndirect\n0.303999 0.565973 0.609251 Sr\n0.806617 0.062190 0.608888 Sr\n0.809732 0.560078 0.610428 Sr\n0.192884 0.438961 0.382358 Sr\n0.202186 0.437762 0.895715 Sr\n0.693802 0.431396 0.383554 Sr\n0.695601 0.931988 0.382200 Sr\n0.699304 0.941896 0.893604 Sr\n0.054164 0.293968 0.609983 Sr\n0.061951 0.797540 0.609406 Sr\n0.558578 0.296571 0.610767 Sr\n0.554529 0.798752 0.610311 Sr\n0.444332 0.202194 0.383456 Sr\n0.452848 0.205745 0.893166 Sr\n0.940964 0.199051 0.384489 Sr\n0.945510 0.202120 0.894203 Sr\n0.301277 0.067711 0.107225 Ca\n0.303524 0.065401 0.607247 Ca\n0.309335 0.565541 0.111336 Ca\n0.804986 0.069837 0.109016 Ca\n0.803482 0.566582 0.111072 Ca\n0.192884 0.928852 0.387881 Ca\n0.196014 0.932118 0.897136 Ca\n0.696380 0.433198 0.898035 Ca\n0.054757 0.289115 0.108402 Ca\n0.056350 0.792498 0.109859 Ca\n0.551891 0.296004 0.107525 Ca\n0.552502 0.788892 0.107608 Ca\n0.440047 0.702430 0.385825 Ca\n0.443010 0.712848 0.895691 Ca\n0.951609 0.705421 0.387519 Ca\n0.950196 0.715654 0.897408 Ca\n0.115103 0.090855 0.756746 Fe\n0.109227 0.596140 0.754427 Fe\n0.609715 0.593487 0.755999 Fe\n0.360561 0.411331 0.752472 Fe\n0.352234 0.904253 0.246435 Fe\n0.358944 0.910868 0.754844 Fe\n0.857818 0.415354 0.759148 Fe\n0.861437 0.907467 0.751627 Fe\n0.009206 0.001924 0.006344 Co\n0.003940 0.997338 0.496049 Co\n0.005660 0.499950 0.004595 Co\n0.001477 0.498702 0.495936 Co\n0.508941 0.004140 0.006134 Co\n0.499242 0.994547 0.492391 Co\n0.508389 0.503099 0.004037 Co\n0.504972 0.501599 0.501051 Co\n0.256745 0.251258 0.004138 Co\n0.251965 0.247684 0.496940 Co\n0.259665 0.752420 0.007217 Co\n0.254716 0.750751 0.497561 Co\n0.761105 0.258299 0.013645 Co\n0.751731 0.247362 0.498443 Co\n0.758376 0.751303 0.002592 Co\n0.753036 0.745477 0.495328 Co\n0.106561 0.089372 0.247002 Co\n0.105588 0.595417 0.243347 Co\n0.604785 0.087672 0.241750 Co\n0.605222 0.098134 0.748501 Co\n0.608369 0.593287 0.246993 Co\n0.353410 0.406819 0.242199 Co\n0.856402 0.409615 0.246589 Co\n0.859372 0.899580 0.243245 Co\n0.119093 0.111102 0.489349 O\n0.128640 0.119858 0.994510 O\n0.118865 0.624284 0.484088 O\n0.131057 0.632482 0.992297 O\n0.617031 0.113848 0.490501 O\n0.629755 0.132847 0.998187 O\n0.615259 0.612050 0.487341 O\n0.631495 0.629560 0.991087 O\n0.132634 0.388441 0.017070 O\n0.135909 0.368644 0.503864 O\n0.137197 0.883322 0.018816 O\n0.140007 0.878708 0.504718 O\n0.640735 0.387915 0.017839 O\n0.631825 0.370498 0.504346 O\n0.631545 0.888259 0.016919 O\n0.634968 0.864268 0.501417 O\n0.362935 0.123016 0.487400 O\n0.378429 0.110144 0.994701 O\n0.370762 0.624352 0.484674 O\n0.381486 0.621821 0.992093 O\n0.869114 0.120665 0.490850 O\n0.877716 0.119747 0.998200 O\n0.869497 0.625887 0.488397 O\n0.882302 0.611940 0.990629 O\n0.388034 0.385103 0.018244 O\n0.385013 0.387069 0.503618 O\n0.381804 0.877004 0.016474 O\n0.384041 0.885660 0.504022 O\n0.883094 0.382006 0.016966 O\n0.880410 0.377229 0.505430 O\n0.885071 0.877286 0.015585 O\n0.890235 0.882386 0.503053 O\n0.095369 0.105015 0.145582 O\n0.096298 0.092490 0.645798 O\n0.086863 0.603819 0.137619 O\n0.080025 0.594375 0.642218 O\n0.586876 0.107619 0.140108 O\n0.578892 0.089442 0.639026 O\n0.589872 0.606951 0.143136 O\n0.581517 0.591027 0.642251 O\n0.432415 0.400086 0.347708 O\n0.449401 0.402549 0.860937 O\n0.440545 0.898048 0.357186 O\n0.448750 0.902267 0.864674 O\n0.932045 0.404945 0.353426 O\n0.948185 0.402633 0.865843 O\n0.941542 0.898792 0.352527 O\n0.951781 0.897749 0.860615 O\n0.332045 0.290802 0.136683 O\n0.333744 0.292682 0.641275 O\n0.339787 0.780265 0.141372 O\n0.332777 0.795903 0.644975 O\n0.846454 0.290083 0.145245 O\n0.832105 0.300351 0.648207 O\n0.842937 0.783324 0.139037 O\n0.831312 0.795501 0.639091 O\n0.184485 0.200649 0.354739 O\n0.195069 0.206033 0.868384 O\n0.192446 0.706103 0.348860 O\n0.204497 0.714728 0.861390 O\n0.681776 0.192490 0.350572 O\n0.683655 0.210616 0.853985 O\n0.697162 0.696925 0.355813 O\n0.707675 0.711544 0.862892 O\n0.422234 0.055922 0.238648 O\n0.422447 0.065087 0.745687 O\n0.427306 0.568916 0.247579 O\n0.431308 0.574804 0.758770 O\n0.924153 0.057063 0.239234 O\n0.935180 0.064741 0.751882 O\n0.926711 0.570037 0.247309 O\n0.932986 0.574501 0.761883 O\n0.172780 0.434391 0.237760 O\n0.182408 0.438113 0.753033 O\n0.173625 0.927376 0.248051 O\n0.182556 0.933907 0.761607 O\n0.673087 0.430574 0.238743 O\n0.678371 0.436521 0.761136 O\n0.677764 0.928526 0.237619 O\n0.685663 0.942521 0.752906 O\n",
"nsites": 144,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Fe",
"Co",
"O"
],
"chemical_system": "Ca-Co-Fe-O-Sr",
"density": 4.543009977832121,
"density_atomic": 0.07599218184640459,
"volume": 1894.9317745745586,
"volume_molar": 7.924684636864292,
"formula_full": "Sr16 Ca16 Fe8 Co24 O80",
"formula_reduced": "Sr2Ca2FeCo3O10",
"formula_anonymous": "AB2C2D3E10",
"energy": -1009.71337088,
"energy_per_atom": -7.0118984088888885,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -897.39337088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 118.0000013,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.695000Z",
"spacegroup": 1
},
{
"id": "mp-16672",
"created_at": "2022-09-04T14:47:15.396715Z",
"structure_string": "Nd4 Mo20 O32\n1.0\n9.206307 0.000000 0.000000\n0.000000 8.304040 0.000000\n0.000000 3.777382 9.748303\nNd Mo O\n4 20 32\ndirect\n0.020588 0.724783 0.016394 Nd\n0.520588 0.275217 0.483606 Nd\n0.979412 0.275217 0.983606 Nd\n0.479412 0.724783 0.516394 Nd\n0.377129 0.993288 0.075273 Mo\n0.877129 0.006712 0.424727 Mo\n0.622871 0.006712 0.924727 Mo\n0.122871 0.993288 0.575273 Mo\n0.355078 0.209397 0.783825 Mo\n0.855078 0.790603 0.716175 Mo\n0.644922 0.790603 0.216175 Mo\n0.144922 0.209397 0.283825 Mo\n0.373494 0.807828 0.866340 Mo\n0.873494 0.192172 0.633660 Mo\n0.626506 0.192172 0.133660 Mo\n0.126506 0.807828 0.366340 Mo\n0.377258 0.600985 0.185175 Mo\n0.877258 0.399015 0.314825 Mo\n0.622742 0.399015 0.814825 Mo\n0.122742 0.600985 0.685175 Mo\n0.362209 0.385098 0.982184 Mo\n0.862209 0.614902 0.517816 Mo\n0.637791 0.614902 0.017816 Mo\n0.137791 0.385098 0.482184 Mo\n0.499542 0.594513 0.856542 O\n0.999542 0.405487 0.643458 O\n0.500458 0.405487 0.143458 O\n0.000458 0.594513 0.356542 O\n0.291391 0.378893 0.334475 O\n0.791391 0.621107 0.165525 O\n0.708609 0.621107 0.665525 O\n0.208609 0.378893 0.834475 O\n0.272804 0.793872 0.688837 O\n0.772804 0.206128 0.811163 O\n0.727196 0.206128 0.311163 O\n0.227196 0.793872 0.188837 O\n0.266634 0.185072 0.604829 O\n0.766634 0.814928 0.895171 O\n0.733366 0.814928 0.395171 O\n0.233366 0.185072 0.104829 O\n0.246597 0.600829 0.509912 O\n0.746597 0.399171 0.990088 O\n0.753403 0.399171 0.490088 O\n0.253403 0.600829 0.009912 O\n0.502633 0.031774 0.747014 O\n0.002633 0.968226 0.752986 O\n0.497367 0.968226 0.252986 O\n0.997367 0.031774 0.247014 O\n0.988508 0.592349 0.853309 O\n0.488508 0.407651 0.646691 O\n0.011492 0.407651 0.146691 O\n0.511492 0.592349 0.353309 O\n0.238552 0.989183 0.916139 O\n0.738552 0.010817 0.583861 O\n0.761448 0.010817 0.083861 O\n0.261448 0.989183 0.416139 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Nd",
"Mo",
"O"
],
"chemical_system": "Mo-Nd-O",
"density": 6.701727338661906,
"density_atomic": 0.0751422373244907,
"volume": 745.2532955356684,
"volume_molar": 8.014321870660133,
"formula_full": "Nd4 Mo20 O32",
"formula_reduced": "NdMo5O8",
"formula_anonymous": "AB5C8",
"energy": -489.31644304,
"energy_per_atom": -8.737793625714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -403.29244304,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 56.0761164,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.286000Z",
"spacegroup": 14
},
{
"id": "mp-1207220",
"created_at": "2022-09-04T14:47:15.407538Z",
"structure_string": "Sr2 Er1 U1 O6\n1.0\n0.000000 4.328309 4.328309\n4.328309 0.000000 4.328309\n4.328309 4.328309 0.000000\nSr Er U O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Er\n0.000000 0.000000 0.000000 U\n0.753529 0.246471 0.246471 O\n0.246471 0.753529 0.753529 O\n0.246471 0.753529 0.246471 O\n0.753529 0.246471 0.753529 O\n0.246471 0.246471 0.753529 O\n0.753529 0.753529 0.246471 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Er",
"U",
"O"
],
"chemical_system": "Er-O-Sr-U",
"density": 6.927040642308882,
"density_atomic": 0.06166166270158264,
"volume": 162.17532194024562,
"volume_molar": 9.766426165224756,
"formula_full": "Sr2 Er1 U1 O6",
"formula_reduced": "Sr2ErUO6",
"formula_anonymous": "ABC2D6",
"energy": -84.95817186,
"energy_per_atom": -8.495817186,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.83617186,
"band_gap": 0.9143999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0001067,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.775000Z",
"spacegroup": 225
},
{
"id": "mp-761540",
"created_at": "2022-09-04T14:47:15.412246Z",
"structure_string": "Co6 Sb2 O16\n1.0\n4.901072 2.850124 0.000000\n-4.901072 2.850124 0.000000\n0.000000 0.062346 9.099654\nCo Sb O\n6 2 16\ndirect\n0.829576 0.661133 0.785402 Co\n0.334053 0.167502 0.789383 Co\n0.830181 0.169027 0.784212 Co\n0.169027 0.830181 0.284212 Co\n0.661133 0.829576 0.285402 Co\n0.167502 0.334053 0.289383 Co\n0.669851 0.338348 0.507925 Sb\n0.338348 0.669851 0.007925 Sb\n0.843436 0.684653 0.401233 O\n0.512693 0.481042 0.667597 O\n0.668146 0.330197 0.888671 O\n0.996312 0.003758 0.689972 O\n0.003758 0.996312 0.189972 O\n0.318616 0.160858 0.398389 O\n0.968572 0.481897 0.665120 O\n0.514014 0.031683 0.666854 O\n0.161170 0.843473 0.897379 O\n0.843473 0.161170 0.397379 O\n0.481897 0.968572 0.165120 O\n0.031683 0.514014 0.166854 O\n0.330197 0.668146 0.388671 O\n0.684653 0.843436 0.901233 O\n0.481042 0.512693 0.167597 O\n0.160858 0.318616 0.898389 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"Sb",
"O"
],
"chemical_system": "Co-O-Sb",
"density": 5.57242457040401,
"density_atomic": 0.09440641998392506,
"volume": 254.21999906454002,
"volume_molar": 6.378952576557202,
"formula_full": "Co6 Sb2 O16",
"formula_reduced": "Co3SbO8",
"formula_anonymous": "AB3C8",
"energy": -160.26128624,
"energy_per_atom": -6.677553593333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.44128624,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1184497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:05.035000Z",
"spacegroup": 9
},
{
"id": "mp-1111417",
"created_at": "2022-09-04T14:47:15.413237Z",
"structure_string": "K2 Tl1 Ru1 F6\n1.0\n0.000000 4.624529 4.624529\n4.624529 0.000000 4.624529\n4.624529 4.624529 0.000000\nK Tl Ru F\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 K\n0.750000 0.750000 0.750000 K\n0.500000 0.500000 0.500000 Tl\n0.000000 0.000000 0.000000 Ru\n0.219013 0.219013 0.780987 F\n0.219013 0.780987 0.780987 F\n0.780987 0.780987 0.219013 F\n0.219013 0.780987 0.219013 F\n0.780987 0.219013 0.780987 F\n0.780987 0.219013 0.219013 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Tl",
"Ru",
"F"
],
"chemical_system": "F-K-Ru-Tl",
"density": 4.177650844611595,
"density_atomic": 0.0505553920581082,
"volume": 197.80283749962877,
"volume_molar": 11.91196530150171,
"formula_full": "K2 Tl1 Ru1 F6",
"formula_reduced": "K2TlRuF6",
"formula_anonymous": "ABC2D6",
"energy": -48.87528153,
"energy_per_atom": -4.887528153,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.10328152999999,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9997486,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:01.740000Z",
"spacegroup": 225
},
{
"id": "mp-758332",
"created_at": "2022-09-04T14:47:16.707210Z",
"structure_string": "Ca4 Gd16 O28\n1.0\n7.215800 0.000000 0.000000\n0.008320 9.208065 0.000000\n-1.823276 -3.496841 10.948618\nCa Gd O\n4 16 28\ndirect\n0.289826 0.070300 0.160072 Ca\n0.110156 0.324195 0.436391 Ca\n0.889844 0.675805 0.563609 Ca\n0.710174 0.929700 0.839928 Ca\n0.019209 0.717442 0.070888 Gd\n0.516065 0.715887 0.069782 Gd\n0.812309 0.499317 0.240550 Gd\n0.308605 0.496242 0.239421 Gd\n0.789100 0.065501 0.155468 Gd\n0.092737 0.869888 0.375435 Gd\n0.594238 0.869279 0.373182 Gd\n0.608858 0.326292 0.437454 Gd\n0.391142 0.673708 0.562546 Gd\n0.405762 0.130721 0.626818 Gd\n0.907263 0.130112 0.624565 Gd\n0.210900 0.934499 0.844532 Gd\n0.187691 0.500683 0.759450 Gd\n0.691395 0.503758 0.760579 Gd\n0.980791 0.282558 0.929112 Gd\n0.483935 0.284113 0.930218 Gd\n0.250508 0.177036 0.000617 O\n0.752023 0.181015 0.006491 O\n0.050004 0.975455 0.216884 O\n0.559251 0.978426 0.218463 O\n0.026815 0.474557 0.114431 O\n0.530854 0.475435 0.115069 O\n0.806203 0.737599 0.230249 O\n0.308743 0.737719 0.227236 O\n0.334598 0.293863 0.312168 O\n0.821919 0.290646 0.309452 O\n0.107959 0.587350 0.399025 O\n0.592908 0.580035 0.402483 O\n0.872621 0.883633 0.497785 O\n0.377458 0.881078 0.500700 O\n0.622542 0.118922 0.499300 O\n0.127379 0.116367 0.502215 O\n0.892041 0.412650 0.600975 O\n0.407092 0.419965 0.597517 O\n0.178081 0.709354 0.690548 O\n0.665402 0.706137 0.687832 O\n0.691257 0.262281 0.772764 O\n0.193797 0.262401 0.769751 O\n0.973185 0.525443 0.885569 O\n0.469146 0.524565 0.884931 O\n0.949996 0.024544 0.783116 O\n0.440749 0.021574 0.781537 O\n0.749492 0.822964 0.999383 O\n0.247977 0.818985 0.993509 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Ca",
"Gd",
"O"
],
"chemical_system": "Ca-Gd-O",
"density": 7.1316330993116015,
"density_atomic": 0.06598254616284094,
"volume": 727.4651069320498,
"volume_molar": 9.126869316527616,
"formula_full": "Ca4 Gd16 O28",
"formula_reduced": "CaGd4O7",
"formula_anonymous": "AB4C7",
"energy": -551.98927175,
"energy_per_atom": -11.499776494791666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -532.75327175,
"band_gap": 2.8515,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 111.9988672,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:02.173000Z",
"spacegroup": 2
},
{
"id": "mp-1278154",
"created_at": "2022-09-04T14:47:19.556940Z",
"structure_string": "Sr4 Fe2 W2 O12\n1.0\n0.049216 0.044415 5.762457\n4.881004 0.020760 -2.832254\n-3.174893 9.321916 0.055052\nSr Fe W O\n4 2 2 12\ndirect\n0.373956 0.751510 0.121699 Sr\n0.877058 0.750340 0.628884 Sr\n0.126091 0.248552 0.378352 Sr\n0.622864 0.249576 0.871118 Sr\n0.249971 0.499984 0.750023 Fe\n0.750111 0.500123 0.249831 Fe\n0.999167 0.007442 0.001413 W\n0.500866 0.992544 0.498539 W\n0.353597 0.245426 0.120427 O\n0.855521 0.224451 0.618433 O\n0.146430 0.754502 0.379540 O\n0.644410 0.775563 0.881663 O\n0.596780 0.704205 0.408260 O\n0.089219 0.719881 0.903875 O\n0.903311 0.295804 0.091751 O\n0.410649 0.280024 0.596160 O\n0.855875 0.815874 0.145098 O\n0.350417 0.796804 0.642436 O\n0.644186 0.184249 0.354928 O\n0.149519 0.203149 0.857571 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-O-Sr-W",
"density": 6.420979391315379,
"density_atomic": 0.0756829557832637,
"volume": 264.2602920699186,
"volume_molar": 7.957063380618807,
"formula_full": "Sr4 Fe2 W2 O12",
"formula_reduced": "Sr2FeWO6",
"formula_anonymous": "ABC2D6",
"energy": -162.19254425999998,
"energy_per_atom": -8.109627213,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.56054426,
"band_gap": 2.3908,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0002122,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:06.483000Z",
"spacegroup": 2
}
]
}