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=formation_energy_per_atom&page=10227",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=10225",
"results": [
{
"id": "mp-1244927",
"created_at": "2022-09-04T14:40:23.599654Z",
"structure_string": "Ga50 N50\n1.0\n10.847955 -0.006101 0.113853\n-0.017248 11.784953 -0.219028\n0.121076 -0.221212 11.535103\nGa N\n50 50\ndirect\n0.064811 0.580434 0.720128 Ga\n0.226888 0.637648 0.413246 Ga\n0.159593 0.667748 0.100881 Ga\n0.938494 0.723192 0.551296 Ga\n0.110943 0.201778 0.134212 Ga\n0.499774 0.535552 0.766405 Ga\n0.469546 0.817918 0.789845 Ga\n0.100972 0.967968 0.090640 Ga\n0.443383 0.442917 0.510498 Ga\n0.862136 0.011979 0.188817 Ga\n0.259662 0.818099 0.902783 Ga\n0.189936 0.050256 0.802189 Ga\n0.706514 0.406715 0.922359 Ga\n0.801430 0.205414 0.148257 Ga\n0.816123 0.162099 0.498246 Ga\n0.444813 0.045293 0.796246 Ga\n0.025721 0.019540 0.558056 Ga\n0.599939 0.668835 0.985795 Ga\n0.653836 0.641798 0.413587 Ga\n0.747725 0.026001 0.680250 Ga\n0.054086 0.840520 0.319861 Ga\n0.465566 0.731873 0.191075 Ga\n0.952360 0.407033 0.563223 Ga\n0.632180 0.199163 0.945812 Ga\n0.244935 0.321181 0.417908 Ga\n0.603310 0.933225 0.011598 Ga\n0.982032 0.393966 0.112390 Ga\n0.982535 0.570141 0.315652 Ga\n0.492302 0.013578 0.522706 Ga\n0.877562 0.037561 0.933362 Ga\n0.944988 0.566040 0.974997 Ga\n0.682154 0.371779 0.648668 Ga\n0.009115 0.217251 0.658298 Ga\n0.186462 0.413337 0.610606 Ga\n0.357986 0.015504 0.067263 Ga\n0.010205 0.309652 0.895818 Ga\n0.660045 0.773596 0.609588 Ga\n0.767649 0.752966 0.819999 Ga\n0.223837 0.457251 0.838126 Ga\n0.764208 0.565455 0.163389 Ga\n0.805357 0.403051 0.370812 Ga\n0.844289 0.799393 0.073692 Ga\n0.934966 0.899420 0.711088 Ga\n0.404786 0.240329 0.696296 Ga\n0.484436 0.928188 0.306844 Ga\n0.360658 0.645214 0.991405 Ga\n0.185356 0.086051 0.341831 Ga\n0.431861 0.659832 0.523914 Ga\n0.753394 0.575878 0.675444 Ga\n0.051250 0.764091 0.837009 Ga\n0.296144 0.167955 0.457234 N\n0.515098 0.066808 0.954912 N\n0.552774 0.135974 0.219151 N\n0.082073 0.978296 0.408644 N\n0.036640 0.701306 0.407689 N\n0.048935 0.473085 0.869095 N\n0.787475 0.555552 0.326864 N\n0.362726 0.534057 0.871057 N\n0.757573 0.833234 0.361381 N\n0.199948 0.784178 0.226318 N\n0.499523 0.689718 0.677232 N\n0.610716 0.807063 0.895810 N\n0.998192 0.304769 0.343792 N\n0.924181 0.566500 0.615859 N\n0.134563 0.234068 0.785488 N\n0.111596 0.254082 0.307296 N\n0.781873 0.141387 0.834449 N\n0.572244 0.221597 0.443852 N\n0.004810 0.418390 0.396712 N\n0.703810 0.703611 0.118899 N\n0.307766 0.436739 0.231263 N\n0.262703 0.439172 0.144533 N\n0.364596 0.291674 0.949328 N\n0.971697 0.875635 0.175479 N\n0.227260 0.811568 0.595262 N\n0.223688 0.968322 0.964139 N\n0.640899 0.547228 0.870445 N\n0.474176 0.909203 0.139129 N\n0.276648 0.895654 0.599984 N\n0.574451 0.449536 0.181514 N\n0.531162 0.294313 0.394119 N\n0.982841 0.098145 0.063046 N\n0.710031 0.914797 0.336807 N\n0.906557 0.315385 0.251696 N\n0.221237 0.073101 0.177290 N\n0.024632 0.563979 0.146177 N\n0.286739 0.728053 0.276847 N\n0.524932 0.425261 0.099457 N\n0.786237 0.338304 0.781703 N\n0.825285 0.458718 0.043160 N\n0.776365 0.950773 0.042013 N\n0.371057 0.142122 0.538082 N\n0.484455 0.193767 0.179584 N\n0.234200 0.307918 0.748248 N\n0.787970 0.329269 0.514213 N\n0.500023 0.385177 0.662925 N\n0.596177 0.940502 0.634424 N\n0.857612 0.240541 0.798707 N\n0.290476 0.240431 0.992954 N\n0.902796 0.716225 0.931898 N\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Ga",
"N"
],
"chemical_system": "Ga-N",
"density": 4.716331169953047,
"density_atomic": 0.06784309554685612,
"volume": 1473.989345473403,
"volume_molar": 8.876571317181103,
"formula_full": "Ga50 N50",
"formula_reduced": "GaN",
"formula_anonymous": "AB",
"energy": -563.6933243999999,
"energy_per_atom": -5.636933244,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -545.6433244,
"band_gap": 0.1326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.270000Z",
"spacegroup": 1
},
{
"id": "mp-1334909",
"created_at": "2022-09-04T14:40:23.601979Z",
"structure_string": "Tb24 Pb4 Se40\n1.0\n7.626911 0.000000 0.000000\n-2.556841 7.192920 0.000000\n-2.482058 -3.614729 31.217890\nTb Pb Se\n24 4 40\ndirect\n0.175891 0.801251 0.022129 Tb\n0.572255 0.206992 0.224971 Tb\n0.997313 0.369119 0.125869 Tb\n0.531182 0.403579 0.074227 Tb\n0.971397 0.611656 0.430636 Tb\n0.395956 0.767079 0.327057 Tb\n0.930328 0.802390 0.275378 Tb\n0.175030 0.923179 0.149934 Tb\n0.370590 0.991302 0.625698 Tb\n0.808188 0.167355 0.527909 Tb\n0.321401 0.198168 0.476215 Tb\n0.994932 0.120375 0.376238 Tb\n0.574140 0.323005 0.351157 Tb\n0.774916 0.402874 0.825903 Tb\n0.194904 0.567929 0.724701 Tb\n0.733631 0.600379 0.670852 Tb\n0.397494 0.541515 0.572681 Tb\n0.597211 0.978021 0.921642 Tb\n0.369375 0.124651 0.752842 Tb\n0.810426 0.924429 0.779004 Tb\n0.921559 0.177630 0.649068 Tb\n0.199833 0.322951 0.969559 Tb\n0.780683 0.538267 0.946594 Tb\n0.323756 0.570496 0.851200 Tb\n0.599295 0.725090 0.172933 Pb\n0.728659 0.970921 0.048134 Pb\n0.129870 0.377142 0.249489 Pb\n0.526202 0.769975 0.453837 Pb\n0.326172 0.692136 0.098276 Se\n0.245257 0.093136 0.302866 Se\n0.920319 0.419820 0.025688 Se\n0.335942 0.328374 0.167971 Se\n0.900607 0.042849 0.200264 Se\n0.638874 0.482082 0.502678 Se\n0.154249 0.147165 0.072259 Se\n0.142603 0.486843 0.499971 Se\n0.746769 0.741509 0.368957 Se\n0.610848 0.126060 0.130301 Se\n0.296710 0.432475 0.398090 Se\n0.859537 0.690408 0.098881 Se\n0.553217 0.543120 0.274334 Se\n0.310783 0.829650 0.230166 Se\n0.721528 0.232910 0.427022 Se\n0.900908 0.545765 0.199142 Se\n0.009946 0.518486 0.330699 Se\n0.151659 0.158606 0.574230 Se\n0.696515 0.848146 0.601612 Se\n0.947276 0.950399 0.469116 Se\n0.296171 0.945799 0.398972 Se\n0.729117 0.093741 0.300567 Se\n0.420124 0.927746 0.531156 Se\n0.546564 0.544460 0.772194 Se\n0.101115 0.254187 0.798590 Se\n0.348830 0.339760 0.673939 Se\n0.111375 0.605374 0.632272 Se\n0.526501 0.018078 0.826627 Se\n0.689490 0.328906 0.602357 Se\n0.808187 0.315259 0.727220 Se\n0.944065 0.939373 0.969871 Se\n0.494524 0.630192 0.998782 Se\n0.034819 0.903293 0.700275 Se\n0.736102 0.744430 0.869318 Se\n0.101818 0.735653 0.797949 Se\n0.533296 0.898972 0.702232 Se\n0.216789 0.707235 0.928842 Se\n0.451953 0.300161 0.898709 Se\n0.495475 0.146849 0.996859 Se\n0.937548 0.307875 0.899891 Se\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Tb",
"Pb",
"Se"
],
"chemical_system": "Pb-Se-Tb",
"density": 7.564228794698649,
"density_atomic": 0.03970557211133634,
"volume": 1712.6059740261323,
"volume_molar": 15.166991532356285,
"formula_full": "Tb24 Pb4 Se40",
"formula_reduced": "Tb6PbSe10",
"formula_anonymous": "AB6C10",
"energy": -384.8115205,
"energy_per_atom": -5.658992948529411,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -365.9315205,
"band_gap": 0.6600999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0030436,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.255000Z",
"spacegroup": 1
},
{
"id": "mp-1216002",
"created_at": "2022-09-04T14:40:23.636780Z",
"structure_string": "Y1 Th1 B4 Ru6\n1.0\n0.000000 0.000000 -3.052419\n-2.773562 -4.803951 0.000000\n-8.294798 4.789004 0.000000\nY Th B Ru\n1 1 4 6\ndirect\n0.000000 0.500064 0.500000 Y\n0.000000 0.999939 0.000000 Th\n0.000000 0.999945 0.331739 B\n0.000000 0.499989 0.834019 B\n0.000000 0.499989 0.165981 B\n0.000000 0.999945 0.668261 B\n0.500000 0.000025 0.500000 Ru\n0.500000 0.499984 0.000000 Ru\n0.500000 0.255252 0.255091 Ru\n0.500000 0.744708 0.744924 Ru\n0.500000 0.744708 0.255076 Ru\n0.500000 0.255252 0.744909 Ru\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Y",
"Th",
"B",
"Ru"
],
"chemical_system": "B-Ru-Th-Y",
"density": 9.938152765253784,
"density_atomic": 0.07399357155548923,
"volume": 162.17625055442775,
"volume_molar": 8.138735073064934,
"formula_full": "Y1 Th1 B4 Ru6",
"formula_reduced": "YTh(B2Ru3)2",
"formula_anonymous": "ABC4D6",
"energy": -102.10439082,
"energy_per_atom": -8.508699235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -102.10439082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0617539,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.603000Z",
"spacegroup": 47
},
{
"id": "mp-1405076",
"created_at": "2022-09-04T14:40:26.098161Z",
"structure_string": "La2 O6\n1.0\n4.661293 0.000000 0.000000\n-2.192199 4.359929 0.000000\n-0.199795 -2.693685 7.100771\nLa O\n2 6\ndirect\n0.380421 0.018183 0.262929 La\n0.619579 0.981817 0.737071 La\n0.349726 0.724803 0.041752 O\n0.291063 0.191932 0.608199 O\n0.904144 0.152556 0.344898 O\n0.708937 0.808068 0.391801 O\n0.650274 0.275197 0.958248 O\n0.095856 0.847444 0.655102 O\n",
"nsites": 8,
"nelements": 2,
"elements": [
"La",
"O"
],
"chemical_system": "La-O",
"density": 4.301358054988858,
"density_atomic": 0.055436864723425454,
"volume": 144.30830531113193,
"volume_molar": 10.863061592758651,
"formula_full": "La2 O6",
"formula_reduced": "LaO3",
"formula_anonymous": "AB3",
"energy": -53.19509336,
"energy_per_atom": -6.64938667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.07309336,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004066,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.275000Z",
"spacegroup": 2
},
{
"id": "mp-1202492",
"created_at": "2022-09-04T14:40:21.489299Z",
"structure_string": "Cs40 Ge8 O36\n1.0\n11.790110 0.000000 0.000000\n0.000000 13.071870 0.000000\n0.000000 11.806969 15.326563\nCs Ge O\n40 8 36\ndirect\n0.416029 0.796704 0.323403 Cs\n0.916029 0.203296 0.176597 Cs\n0.583971 0.203296 0.676597 Cs\n0.083971 0.796704 0.823403 Cs\n0.390845 0.380509 0.496842 Cs\n0.890845 0.619491 0.003158 Cs\n0.609155 0.619491 0.503158 Cs\n0.109155 0.380509 0.996842 Cs\n0.328283 0.303283 0.337715 Cs\n0.828283 0.696717 0.162285 Cs\n0.671717 0.696717 0.662285 Cs\n0.171717 0.303283 0.837715 Cs\n0.712521 0.927684 0.211703 Cs\n0.212521 0.072316 0.288297 Cs\n0.287479 0.072316 0.788297 Cs\n0.787479 0.927684 0.711703 Cs\n0.137596 0.751148 0.463883 Cs\n0.637596 0.248852 0.036117 Cs\n0.862404 0.248852 0.536117 Cs\n0.362404 0.751148 0.963883 Cs\n0.388991 0.352845 0.127327 Cs\n0.888991 0.647155 0.372673 Cs\n0.611009 0.647155 0.872673 Cs\n0.111009 0.352845 0.627327 Cs\n0.158785 0.633103 0.253397 Cs\n0.658785 0.366897 0.246603 Cs\n0.841215 0.366897 0.746603 Cs\n0.341215 0.633103 0.753397 Cs\n0.468342 0.708496 0.162041 Cs\n0.968342 0.291504 0.337959 Cs\n0.531658 0.291504 0.837959 Cs\n0.031658 0.708496 0.662041 Cs\n0.819402 0.961792 0.417698 Cs\n0.319402 0.038208 0.082302 Cs\n0.180598 0.038208 0.582302 Cs\n0.680598 0.961792 0.917698 Cs\n0.095385 0.879027 0.006540 Cs\n0.595385 0.120973 0.493460 Cs\n0.904615 0.120973 0.993460 Cs\n0.404615 0.879027 0.506540 Cs\n0.148014 0.510453 0.130492 Ge\n0.648014 0.489547 0.369508 Ge\n0.851986 0.489547 0.869508 Ge\n0.351986 0.510453 0.630492 Ge\n0.054661 0.924207 0.214166 Ge\n0.554661 0.075793 0.285834 Ge\n0.945339 0.075793 0.785834 Ge\n0.445339 0.924207 0.714166 Ge\n0.151941 0.338259 0.187800 O\n0.651941 0.661741 0.312200 O\n0.848059 0.661741 0.812200 O\n0.348059 0.338259 0.687800 O\n0.279271 0.554347 0.156216 O\n0.779271 0.445653 0.343784 O\n0.720729 0.445653 0.843784 O\n0.220729 0.554347 0.656216 O\n0.025218 0.550359 0.166064 O\n0.525218 0.449641 0.333936 O\n0.974782 0.449641 0.833936 O\n0.474782 0.550359 0.666064 O\n0.139170 0.593932 0.014440 O\n0.639170 0.406068 0.485560 O\n0.860830 0.406068 0.985560 O\n0.360830 0.593932 0.514440 O\n0.520241 0.830689 0.687411 O\n0.020241 0.169311 0.812589 O\n0.479759 0.169311 0.312589 O\n0.979759 0.830689 0.187411 O\n0.191974 0.849863 0.257157 O\n0.691974 0.150137 0.242843 O\n0.808026 0.150137 0.742843 O\n0.308026 0.849863 0.757157 O\n0.575684 0.910699 0.379557 O\n0.075684 0.089301 0.120443 O\n0.424316 0.089301 0.620443 O\n0.924316 0.910699 0.879557 O\n0.527624 0.914522 0.796786 O\n0.027624 0.085478 0.703214 O\n0.472376 0.085478 0.203214 O\n0.972376 0.914522 0.296786 O\n0.321661 0.947591 0.977121 O\n0.821661 0.052409 0.522879 O\n0.678339 0.052409 0.022879 O\n0.178339 0.947591 0.477121 O\n",
"nsites": 84,
"nelements": 3,
"elements": [
"Cs",
"Ge",
"O"
],
"chemical_system": "Cs-Ge-O",
"density": 4.550672540752936,
"density_atomic": 0.03556140687928771,
"volume": 2362.1112709386293,
"volume_molar": 16.934484005208244,
"formula_full": "Cs40 Ge8 O36",
"formula_reduced": "Cs10Ge2O9",
"formula_anonymous": "A2B9C10",
"energy": -394.56698802000005,
"energy_per_atom": -4.697226047857144,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -369.83498802,
"band_gap": 0.4011,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001681,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.788000Z",
"spacegroup": 14
},
{
"id": "mp-1028932",
"created_at": "2022-09-04T14:40:21.500742Z",
"structure_string": "Te4 Mo1 W3 S4\n1.0\n1.678771 -2.907717 0.000000\n1.678771 2.907717 0.000000\n0.000000 0.000000 39.954393\nTe Mo W S\n4 1 3 4\ndirect\n0.000000 0.000000 0.327801 Te\n0.333333 0.666667 0.423427 Te\n0.333333 0.666667 0.518526 Te\n0.000000 0.000000 0.233105 Te\n0.333333 0.666667 0.280455 Mo\n0.000000 0.000000 0.093770 W\n0.000000 0.000000 0.470999 W\n0.333333 0.666667 0.657708 W\n0.000000 0.000000 0.695680 S\n0.333333 0.666667 0.055797 S\n0.333333 0.666667 0.131814 S\n0.000000 0.000000 0.619667 S\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Te",
"Mo",
"W",
"S"
],
"chemical_system": "Mo-S-Te-W",
"density": 5.475105128952431,
"density_atomic": 0.030764022430638385,
"volume": 390.06602686809276,
"volume_molar": 19.57527099577997,
"formula_full": "Te4 Mo1 W3 S4",
"formula_reduced": "Te4MoW3S4",
"formula_anonymous": "AB3C4D4",
"energy": -87.53703900000001,
"energy_per_atom": -7.29475325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.837039,
"band_gap": 3.2388000000000003,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.73e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:05.934000Z",
"spacegroup": 156
},
{
"id": "mp-764796",
"created_at": "2022-09-04T14:40:21.508380Z",
"structure_string": "Li3 Fe8 B8 O24\n1.0\n5.296962 0.000000 0.000000\n-0.049709 9.047791 0.000000\n-2.469950 -4.479183 10.110643\nLi Fe B O\n3 8 8 24\ndirect\n0.825444 0.182567 0.339955 Li\n0.399552 0.036406 0.091684 Li\n0.065796 0.405120 0.836781 Li\n0.593611 0.606681 0.870799 Fe\n0.910230 0.891242 0.119667 Fe\n0.154998 0.475153 0.613037 Fe\n0.344116 0.013090 0.374940 Fe\n0.650179 0.981561 0.628961 Fe\n0.852610 0.534463 0.367460 Fe\n0.095298 0.084355 0.869451 Fe\n0.398218 0.399902 0.125024 Fe\n0.350945 0.342610 0.365779 B\n0.114513 0.760232 0.875227 B\n0.857930 0.867537 0.376541 B\n0.592468 0.275490 0.871369 B\n0.145636 0.141333 0.623946 B\n0.400997 0.728441 0.122826 B\n0.653589 0.643261 0.623857 B\n0.892133 0.231515 0.123788 B\n0.881601 0.764485 0.912102 O\n0.528479 0.543173 0.667119 O\n0.779425 0.104498 0.138962 O\n0.469555 0.205658 0.361782 O\n0.122823 0.373058 0.413008 O\n0.205814 0.606208 0.823350 O\n0.714737 0.407435 0.866762 O\n0.961073 0.982574 0.337764 O\n0.309611 0.882325 0.176196 O\n0.361547 0.094659 0.571388 O\n0.061794 0.289489 0.640722 O\n0.604081 0.721194 0.062764 O\n0.362015 0.289071 0.916648 O\n0.637091 0.908266 0.427992 O\n0.697287 0.128403 0.826389 O\n0.024977 0.039289 0.663658 O\n0.285238 0.596322 0.125129 O\n0.773605 0.373750 0.150578 O\n0.870937 0.591964 0.575381 O\n0.558365 0.783334 0.629032 O\n0.967275 0.732932 0.363274 O\n0.253539 0.899747 0.898702 O\n0.454176 0.446397 0.321839 O\n0.131398 0.218485 0.086968 O\n",
"nsites": 43,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.2146222584889066,
"density_atomic": 0.08874017119160946,
"volume": 484.56070596430993,
"volume_molar": 6.78626227460941,
"formula_full": "Li3 Fe8 B8 O24",
"formula_reduced": "Li3Fe8(BO3)8",
"formula_anonymous": "A3B8C8D24",
"energy": -342.36508299,
"energy_per_atom": -7.961978674186047,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -307.82908299,
"band_gap": 1.6373,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 37.0053015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.501000Z",
"spacegroup": 1
},
{
"id": "mp-1666679",
"created_at": "2022-09-04T14:40:21.512709Z",
"structure_string": "Co4 Sb4 P8 O32\n1.0\n0.243279 -0.007795 4.933896\n10.035664 6.487248 0.491086\n-9.998930 6.429249 -0.513134\nCo Sb P O\n4 4 8 32\ndirect\n0.424384 0.950638 0.732990 Co\n0.601850 0.995095 0.216789 Co\n0.394048 0.494639 0.274017 Co\n0.576948 0.546824 0.763238 Co\n0.962026 0.270768 0.979398 Sb\n0.912030 0.768161 0.468050 Sb\n0.092292 0.728429 0.028996 Sb\n0.035968 0.230519 0.521922 Sb\n0.419014 0.183919 0.078171 P\n0.382252 0.667893 0.570297 P\n0.622750 0.829529 0.926010 P\n0.580861 0.319055 0.426561 P\n0.846075 0.563675 0.151055 P\n0.877285 0.091375 0.689303 P\n0.123351 0.408764 0.812138 P\n0.149283 0.938511 0.348972 P\n0.591446 0.388819 0.347683 O\n0.644646 0.908647 0.855690 O\n0.355977 0.589400 0.641022 O\n0.410278 0.114150 0.157303 O\n0.719696 0.197379 0.057823 O\n0.681810 0.685903 0.560034 O\n0.324285 0.811649 0.938828 O\n0.279186 0.304922 0.445176 O\n0.155477 0.563982 0.171503 O\n0.182807 0.072673 0.700247 O\n0.817871 0.428144 0.803032 O\n0.839130 0.940088 0.329148 O\n0.202581 0.342194 0.901504 O\n0.248544 0.853815 0.413712 O\n0.746511 0.647105 0.084822 O\n0.798828 0.158789 0.600906 O\n0.239663 0.126516 0.951687 O\n0.217242 0.615744 0.438976 O\n0.249277 0.314383 0.130552 O\n0.215411 0.797153 0.627887 O\n0.789699 0.700517 0.868490 O\n0.752030 0.189791 0.373947 O\n0.789119 0.882905 0.056769 O\n0.757170 0.376529 0.554166 O\n0.707048 0.597058 0.273803 O\n0.756906 0.177838 0.819905 O\n0.749295 0.425813 0.065049 O\n0.725356 0.971716 0.640315 O\n0.242436 0.321765 0.681829 O\n0.285060 0.903575 0.224920 O\n0.276655 0.528184 0.859563 O\n0.248145 0.075061 0.435803 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Co",
"Sb",
"P",
"O"
],
"chemical_system": "Co-O-P-Sb",
"density": 3.8659030762939204,
"density_atomic": 0.07537643699774633,
"volume": 636.8037799589166,
"volume_molar": 7.9894208321097135,
"formula_full": "Co4 Sb4 P8 O32",
"formula_reduced": "CoSb(PO4)2",
"formula_anonymous": "ABC2D8",
"energy": -353.71402329,
"energy_per_atom": -7.369042151875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -325.17802329,
"band_gap": 1.6506000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000049,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.872000Z",
"spacegroup": 1
},
{
"id": "mp-1031034",
"created_at": "2022-09-04T14:40:21.523616Z",
"structure_string": "Li1 Mg6 Cr1 O8\n1.0\n8.567206 0.000000 0.000000\n0.000000 4.204381 0.000000\n0.000000 0.000000 4.204381\nLi Mg Cr O\n1 6 1 8\ndirect\n0.000000 0.000000 0.000000 Li\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.246015 0.000000 0.500000 Mg\n0.753985 0.000000 0.500000 Mg\n0.246015 0.500000 0.000000 Mg\n0.753985 0.500000 0.000000 Mg\n0.000000 0.500000 0.500000 Cr\n0.256885 0.000000 0.000000 O\n0.743115 0.000000 0.000000 O\n0.238633 0.500000 0.500000 O\n0.761367 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Li",
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Li-Mg-O",
"density": 3.6487144410937886,
"density_atomic": 0.10565173742292296,
"volume": 151.44095487944645,
"volume_molar": 5.6999921694552205,
"formula_full": "Li1 Mg6 Cr1 O8",
"formula_reduced": "LiMg6CrO8",
"formula_anonymous": "ABC6D8",
"energy": -106.3182033,
"energy_per_atom": -6.64488770625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.8232033,
"band_gap": 1.5545,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 2.9999999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.622000Z",
"spacegroup": 123
},
{
"id": "mp-1098327",
"created_at": "2022-09-04T14:40:21.527825Z",
"structure_string": "Rb1 Mg6 Co1\n1.0\n3.071869 -7.926740 0.000000\n3.071869 7.926740 0.000000\n0.000000 0.000000 4.522613\nRb Mg Co\n1 6 1\ndirect\n0.281004 0.718996 0.500000 Rb\n0.212063 0.282394 0.000000 Mg\n0.717606 0.787937 0.000000 Mg\n0.665334 0.334666 0.000000 Mg\n0.314547 0.148613 0.500000 Mg\n0.851387 0.685453 0.500000 Mg\n0.862670 0.137330 0.500000 Mg\n0.095391 0.904609 0.000000 Co\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"Co"
],
"chemical_system": "Co-Mg-Rb",
"density": 2.1881453197959675,
"density_atomic": 0.03632229320979403,
"volume": 220.2504107819619,
"volume_molar": 16.579737202209955,
"formula_full": "Rb1 Mg6 Co1",
"formula_reduced": "RbMg6Co",
"formula_anonymous": "ABC6",
"energy": -14.99018444,
"energy_per_atom": -1.873773055,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.99018444,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1057285,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.054000Z",
"spacegroup": 38
},
{
"id": "mp-22031",
"created_at": "2022-09-04T14:40:21.991982Z",
"structure_string": "Eu4 Sn4 Pd4\n1.0\n4.734746 0.000000 0.000000\n0.000000 7.572356 0.000000\n0.000000 0.000000 8.127819\nEu Sn Pd\n4 4 4\ndirect\n0.250000 0.522597 0.185401 Eu\n0.750000 0.477403 0.814599 Eu\n0.250000 0.022597 0.314599 Eu\n0.750000 0.977403 0.685401 Eu\n0.250000 0.164821 0.925953 Sn\n0.750000 0.335179 0.425953 Sn\n0.250000 0.664821 0.574047 Sn\n0.750000 0.835179 0.074047 Sn\n0.750000 0.207926 0.105759 Pd\n0.250000 0.292074 0.605759 Pd\n0.750000 0.707926 0.394241 Pd\n0.250000 0.792074 0.894241 Pd\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Sn",
"Pd"
],
"chemical_system": "Eu-Pd-Sn",
"density": 8.595219626775847,
"density_atomic": 0.0411793524745394,
"volume": 291.40817615865683,
"volume_molar": 14.62417546201923,
"formula_full": "Eu4 Sn4 Pd4",
"formula_reduced": "EuSnPd",
"formula_anonymous": "ABC",
"energy": -87.60818338,
"energy_per_atom": -7.300681948333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -87.60818338,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.1050872,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:05.082000Z",
"spacegroup": 62
},
{
"id": "mp-1519196",
"created_at": "2022-09-04T14:40:21.493936Z",
"structure_string": "K4 Sr4 Ce4 Nb4 O24\n1.0\n8.466685 0.000000 0.000000\n0.000000 8.499417 0.000000\n0.000000 0.000000 8.482831\nK Sr Ce Nb O\n4 4 4 4 24\ndirect\n0.500000 0.000000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.500000 -0.000000 K\n0.000000 0.000000 0.500000 K\n0.000000 0.500000 0.500000 Sr\n0.500000 0.000000 0.000000 Sr\n0.000000 0.000000 -0.000000 Sr\n0.500000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.750000 Ce\n0.250000 0.750000 0.250000 Ce\n0.750000 0.250000 0.250000 Ce\n0.250000 0.250000 0.250000 Nb\n0.750000 0.750000 0.250000 Nb\n0.750000 0.250000 0.750000 Nb\n0.250000 0.750000 0.750000 Nb\n0.013347 0.236624 0.262301 O\n0.986653 0.763376 0.262301 O\n0.986653 0.236624 0.737699 O\n0.013347 0.763376 0.737699 O\n0.263641 0.012983 0.223487 O\n0.263641 0.987017 0.776513 O\n0.736359 0.987017 0.223487 O\n0.736359 0.012983 0.776513 O\n0.235348 0.253216 0.012897 O\n0.764652 0.253216 0.987103 O\n0.235348 0.746784 0.987103 O\n0.764652 0.746784 0.012897 O\n0.486653 0.263376 0.237699 O\n0.513347 0.736624 0.237699 O\n0.513347 0.263376 0.762301 O\n0.486653 0.736624 0.762301 O\n0.236359 0.487017 0.276513 O\n0.236359 0.512983 0.723487 O\n0.763641 0.512983 0.276513 O\n0.763641 0.487017 0.723487 O\n0.264652 0.246784 0.487103 O\n0.735348 0.246784 0.512897 O\n0.264652 0.753216 0.512897 O\n0.735348 0.753216 0.487103 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"K",
"Sr",
"Ce",
"Nb",
"O"
],
"chemical_system": "Ce-K-Nb-O-Sr",
"density": 4.958840047135266,
"density_atomic": 0.06552644954958145,
"volume": 610.440520964492,
"volume_molar": 9.190396857139753,
"formula_full": "K4 Sr4 Ce4 Nb4 O24",
"formula_reduced": "KSrCeNbO6",
"formula_anonymous": "ABCDE6",
"energy": -322.87872035,
"energy_per_atom": -8.07196800875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.39072035,
"band_gap": 2.0721,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.270000Z",
"spacegroup": 48
}
]
}