GET /third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12096
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_theoretical&page=12097",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_theoretical&page=12095",
    "results": [
        {
            "id": "mp-1205193",
            "created_at": "2022-09-04T14:44:31.251874Z",
            "structure_string": "H28 C8 S4 N4 O8\n1.0\n6.339570 0.000000 0.000000\n-0.173604 6.617682 0.000000\n-2.836090 -1.863219 12.999251\nH C S N O\n28 8 4 4 8\ndirect\n0.857198 0.298543 0.634355 H\n0.142802 0.701457 0.365645 H\n0.675228 0.156865 0.523571 H\n0.324772 0.843135 0.476429 H\n0.667203 0.430608 0.549954 H\n0.332797 0.569392 0.450046 H\n0.699773 0.171375 0.883778 H\n0.300227 0.828625 0.116222 H\n0.819148 0.363041 0.992091 H\n0.180852 0.636959 0.007909 H\n0.530392 0.338510 0.944830 H\n0.469608 0.661490 0.055170 H\n0.189587 0.677672 0.784049 H\n0.810413 0.322328 0.215951 H\n0.351761 0.842178 0.747241 H\n0.648239 0.157822 0.252759 H\n0.079050 0.666171 0.605452 H\n0.920950 0.333829 0.394548 H\n0.878405 0.784327 0.667113 H\n0.121595 0.215673 0.332887 H\n0.064607 0.939085 0.621603 H\n0.935393 0.060915 0.378397 H\n0.270399 0.990533 0.905003 H\n0.729601 0.009467 0.094997 H\n0.145789 0.125411 0.802190 H\n0.854211 0.874589 0.197810 H\n0.987546 0.943712 0.847885 H\n0.012454 0.056288 0.152115 H\n0.696354 0.289396 0.583752 C\n0.303646 0.710604 0.416248 C\n0.687796 0.324434 0.923940 C\n0.312204 0.675566 0.076060 C\n0.043050 0.799804 0.654954 C\n0.956950 0.200196 0.345046 C\n0.146944 0.981125 0.833808 C\n0.853056 0.018875 0.166192 C\n0.496618 0.258036 0.656521 S\n0.503382 0.741964 0.343479 S\n0.711182 0.506305 0.839878 S\n0.288818 0.493695 0.160122 S\n0.515885 0.456948 0.741144 N\n0.484115 0.543052 0.258856 N\n0.196177 0.816035 0.756814 N\n0.803823 0.183965 0.243186 N\n0.287266 0.261170 0.586678 O\n0.712734 0.738830 0.413322 O\n0.540042 0.068099 0.701552 O\n0.459958 0.931901 0.298448 O\n0.671773 0.704742 0.892109 O\n0.328227 0.295258 0.107891 O\n0.926672 0.486652 0.815772 O\n0.073328 0.513348 0.184228 O\n",
            "nsites": 52,
            "nelements": 5,
            "elements": [
                "H",
                "C",
                "S",
                "N",
                "O"
            ],
            "chemical_system": "C-H-N-O-S",
            "density": 1.3293482760476334,
            "density_atomic": 0.09534969723758478,
            "volume": 545.3609346071707,
            "volume_molar": 6.315846756172188,
            "formula_full": "H28 C8 S4 N4 O8",
            "formula_reduced": "H7C2SNO2",
            "formula_anonymous": "ABC2D2E7",
            "energy": -286.07360976,
            "energy_per_atom": -5.5014155723076925,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -279.13360976,
            "band_gap": 5.5432,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0642784,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.110000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-16251",
            "created_at": "2022-09-04T14:44:30.949625Z",
            "structure_string": "Yb1 Si2 Au2\n1.0\n-2.184098 2.184098 5.005283\n2.184098 -2.184098 5.005283\n2.184098 2.184098 -5.005283\nYb Si Au\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.615002 0.615002 0.000000 Si\n0.384999 0.384999 0.000000 Si\n0.750000 0.250000 0.500000 Au\n0.250000 0.750000 0.500000 Au\n",
            "nsites": 5,
            "nelements": 3,
            "elements": [
                "Yb",
                "Si",
                "Au"
            ],
            "chemical_system": "Au-Si-Yb",
            "density": 10.834396872167318,
            "density_atomic": 0.052352464749048984,
            "volume": 95.50648711512342,
            "volume_molar": 11.503070178007992,
            "formula_full": "Yb1 Si2 Au2",
            "formula_reduced": "Yb(SiAu)2",
            "formula_anonymous": "AB2C2",
            "energy": -21.559485030000005,
            "energy_per_atom": -4.311897006000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -21.559485030000005,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0022793,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:40.760000Z",
            "spacegroup": 139
        },
        {
            "id": "mp-504891",
            "created_at": "2022-09-04T14:44:31.249688Z",
            "structure_string": "La6 Mn2 Ga2 S14\n1.0\n5.132512 -8.889771 0.000000\n5.132512 8.889771 0.000000\n0.000000 0.000000 6.074695\nLa Mn Ga S\n6 2 2 14\ndirect\n0.139282 0.374290 0.000596 La\n0.764992 0.139282 0.500596 La\n0.374290 0.235008 0.500596 La\n0.625710 0.764992 0.000596 La\n0.235008 0.860718 0.000596 La\n0.860718 0.625710 0.500596 La\n0.000000 0.000000 0.227068 Mn\n0.000000 0.000000 0.727068 Mn\n0.666667 0.333333 0.081242 Ga\n0.333333 0.666667 0.581242 Ga\n0.234692 0.146194 0.965351 S\n0.088498 0.234692 0.465351 S\n0.146194 0.911502 0.465351 S\n0.853806 0.088498 0.965351 S\n0.911502 0.765308 0.965351 S\n0.765308 0.853806 0.465351 S\n0.517116 0.098726 0.231441 S\n0.418390 0.517116 0.731441 S\n0.098726 0.581610 0.731441 S\n0.901274 0.418390 0.231441 S\n0.581610 0.482884 0.231441 S\n0.482884 0.901274 0.731441 S\n0.333333 0.666667 0.210226 S\n0.666667 0.333333 0.710226 S\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "La",
                "Mn",
                "Ga",
                "S"
            ],
            "chemical_system": "Ga-La-Mn-S",
            "density": 4.5881524521104575,
            "density_atomic": 0.043294848199396586,
            "volume": 554.3384720848726,
            "volume_molar": 13.909601281576807,
            "formula_full": "La6 Mn2 Ga2 S14",
            "formula_reduced": "La3MnGaS7",
            "formula_anonymous": "ABC3D7",
            "energy": -158.21085032,
            "energy_per_atom": -6.592118763333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -151.16885032,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 10.0020358,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.966000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-1078552",
            "created_at": "2022-09-04T14:44:31.251266Z",
            "structure_string": "Li2 H6 Pt1\n1.0\n0.000000 3.375820 3.375820\n3.375820 0.000000 3.375820\n3.375820 3.375820 0.000000\nLi H Pt\n2 6 1\ndirect\n0.750000 0.750000 0.750000 Li\n0.250000 0.250000 0.250000 Li\n0.756016 0.756016 0.243984 H\n0.243984 0.756016 0.243984 H\n0.756016 0.243984 0.243984 H\n0.243984 0.243984 0.756016 H\n0.756016 0.243984 0.756016 H\n0.243984 0.756016 0.756016 H\n0.000000 0.000000 0.000000 Pt\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Li",
                "H",
                "Pt"
            ],
            "chemical_system": "H-Li-Pt",
            "density": 4.64031291551786,
            "density_atomic": 0.11697004804726086,
            "volume": 76.94277424220274,
            "volume_molar": 5.148446855016082,
            "formula_full": "Li2 H6 Pt1",
            "formula_reduced": "Li2H6Pt",
            "formula_anonymous": "AB2C6",
            "energy": -33.44517926,
            "energy_per_atom": -3.7161310288888894,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -33.44517926,
            "band_gap": 3.0722,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001051,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:38.647000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-581586",
            "created_at": "2022-09-04T14:44:39.412677Z",
            "structure_string": "Tl8 Sb21 As19 Pb4 S68\n1.0\n8.599675 0.000000 0.000000\n0.195694 17.042050 0.000000\n2.075445 1.902093 21.536697\nTl Sb As Pb S\n8 21 19 4 68\ndirect\n0.408347 0.729198 0.323147 Tl\n0.556038 0.274643 0.688144 Tl\n0.066307 0.776635 0.688202 Tl\n0.076901 0.281707 0.687868 Tl\n0.428887 0.235759 0.315548 Tl\n0.904592 0.229929 0.317989 Tl\n0.915376 0.736287 0.317529 Tl\n0.573604 0.785296 0.683303 Tl\n0.939083 0.163495 0.056888 Sb\n0.828505 0.004903 0.610637 Sb\n0.869591 0.342685 0.485424 Sb\n0.479515 0.842031 0.934019 Sb\n0.215682 0.833803 0.119863 Sb\n0.111754 0.170851 0.521062 Sb\n0.153010 0.509949 0.395045 Sb\n0.763103 0.679914 0.887106 Sb\n0.412164 0.492211 0.240701 Sb\n0.724277 0.491384 0.981339 Sb\n0.940412 0.663085 0.058440 Sb\n0.331544 0.500444 0.614043 Sb\n0.043831 0.527444 0.766567 Sb\n0.576827 0.022961 0.765171 Sb\n0.762709 0.183219 0.884561 Sb\n0.247677 0.676509 0.873123 Sb\n0.217076 0.336074 0.125030 Sb\n0.957263 0.979446 0.234545 Sb\n0.648805 0.014542 0.389133 Sb\n0.612840 0.670211 0.520664 Sb\n0.370057 0.844764 0.484515 Sb\n0.632816 0.157762 0.493701 As\n0.329345 0.999325 0.631492 As\n0.732826 0.997102 0.961217 As\n0.820811 0.496900 0.631831 As\n0.718257 0.327610 0.133058 As\n0.472648 0.346302 0.933577 As\n0.740249 0.828375 0.137153 As\n0.060704 0.850642 0.937268 As\n0.515011 0.166201 0.069055 As\n0.651824 0.514340 0.374145 As\n0.064486 0.349072 0.943286 As\n0.521406 0.673726 0.077039 As\n0.258722 0.017408 0.037562 As\n0.258709 0.523196 0.046199 As\n0.850139 0.856606 0.510487 As\n0.261445 0.186896 0.872415 As\n0.349638 0.355346 0.510712 As\n0.132636 0.658306 0.495076 As\n0.161143 0.014806 0.370877 As\n0.454665 0.003071 0.224846 Pb\n0.927409 0.493039 0.229116 Pb\n0.054437 0.021061 0.777710 Pb\n0.547460 0.513265 0.778050 Pb\n0.548986 0.089929 0.935627 S\n0.691565 0.372387 0.228292 S\n0.105765 0.279410 0.432470 S\n0.671966 0.596316 0.286938 S\n0.696988 0.579215 0.104254 S\n0.875049 0.234094 0.573869 S\n0.917083 0.239846 0.154869 S\n0.068197 0.280020 0.853610 S\n0.435130 0.427134 0.072215 S\n0.372993 0.934343 0.355588 S\n0.050279 0.781666 0.847627 S\n0.828818 0.735875 0.568200 S\n0.032904 0.906669 0.567982 S\n0.776753 0.130258 0.769200 S\n0.691807 0.076805 0.100068 S\n0.482288 0.762802 0.839126 S\n0.444094 0.108379 0.438556 S\n0.947755 0.072386 0.923713 S\n0.153416 0.778936 0.437217 S\n0.283988 0.098428 0.118922 S\n0.280486 0.433250 0.907813 S\n0.712956 0.922143 0.877192 S\n0.517820 0.749703 0.163805 S\n0.606020 0.781095 0.432057 S\n0.325511 0.235916 0.570394 S\n0.501079 0.243649 0.155651 S\n0.948693 0.607594 0.438327 S\n0.537632 0.592622 0.945001 S\n0.197912 0.757918 0.990686 S\n0.790295 0.931770 0.716841 S\n0.724346 0.876470 0.236408 S\n0.655158 0.278358 0.435644 S\n0.773254 0.762669 0.012582 S\n0.799480 0.629102 0.781353 S\n0.954336 0.934703 0.347428 S\n0.291887 0.427729 0.717670 S\n0.305632 0.916400 0.717711 S\n0.536148 0.405471 0.566627 S\n0.841562 0.094967 0.444768 S\n0.639854 0.920131 0.558873 S\n0.040937 0.944793 0.077683 S\n0.271518 0.934747 0.901354 S\n0.450418 0.432379 0.349679 S\n0.025531 0.577396 0.656174 S\n0.342637 0.595181 0.446019 S\n0.611278 0.578727 0.648070 S\n0.281754 0.144909 0.776815 S\n0.775126 0.255930 0.999752 S\n0.478998 0.269986 0.848376 S\n0.192066 0.582371 0.288584 S\n0.439426 0.925072 0.063935 S\n0.189469 0.880046 0.226882 S\n0.194580 0.262171 0.003225 S\n0.531417 0.081344 0.656054 S\n0.288502 0.603321 0.126767 S\n0.111777 0.077797 0.650548 S\n0.206738 0.383497 0.237278 S\n0.950928 0.575802 0.934501 S\n0.685820 0.087255 0.285681 S\n0.376779 0.733895 0.573059 S\n0.933850 0.738744 0.159152 S\n0.040183 0.451560 0.086224 S\n0.690671 0.414289 0.885135 S\n0.258266 0.633968 0.763022 S\n0.870016 0.436214 0.355727 S\n0.796169 0.419283 0.722064 S\n0.184480 0.091150 0.279913 S\n0.140716 0.420380 0.557573 S\n",
            "nsites": 120,
            "nelements": 5,
            "elements": [
                "Tl",
                "Sb",
                "As",
                "Pb",
                "S"
            ],
            "chemical_system": "As-Pb-S-Sb-Tl",
            "density": 4.537461816411457,
            "density_atomic": 0.03801878855667874,
            "volume": 3156.334132559299,
            "volume_molar": 15.839907026553833,
            "formula_full": "Tl8 Sb21 As19 Pb4 S68",
            "formula_reduced": "Tl8Sb21As19(PbS17)4",
            "formula_anonymous": "A4B8C19D21E68",
            "energy": -554.1640493299999,
            "energy_per_atom": -4.618033744416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -519.96004933,
            "band_gap": 1.4184,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1536829,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:05.124000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1183033",
            "created_at": "2022-09-04T14:44:30.977913Z",
            "structure_string": "Ag16 S16 O64\n1.0\n7.879210 0.000000 0.000000\n0.000000 10.677467 0.000000\n0.000000 0.363976 15.202295\nAg S O\n16 16 64\ndirect\n0.490194 0.345555 0.889602 Ag\n0.990194 0.154445 0.110398 Ag\n0.509806 0.654445 0.110398 Ag\n0.009806 0.845555 0.889602 Ag\n0.010668 0.347057 0.893894 Ag\n0.510668 0.152943 0.106106 Ag\n0.989332 0.652943 0.106106 Ag\n0.489332 0.847057 0.893894 Ag\n0.510898 0.594852 0.608828 Ag\n0.010898 0.905148 0.391172 Ag\n0.489102 0.405148 0.391172 Ag\n0.989102 0.094852 0.608828 Ag\n0.996686 0.597788 0.613542 Ag\n0.496686 0.902212 0.386458 Ag\n0.003314 0.402212 0.386458 Ag\n0.503314 0.097788 0.613542 Ag\n0.767294 0.359129 0.704586 S\n0.267294 0.140871 0.295414 S\n0.232706 0.640871 0.295414 S\n0.732706 0.859129 0.704586 S\n0.261565 0.599516 0.797626 S\n0.761565 0.900484 0.202374 S\n0.738435 0.400484 0.202374 S\n0.238435 0.099516 0.797626 S\n0.757414 0.592626 0.927361 S\n0.257414 0.907374 0.072639 S\n0.242586 0.407374 0.072639 S\n0.742586 0.092626 0.927361 S\n0.256968 0.336256 0.571857 S\n0.756968 0.163744 0.428143 S\n0.743032 0.663744 0.428143 S\n0.243032 0.836256 0.571857 S\n0.772003 0.482938 0.651508 O\n0.272003 0.017062 0.348492 O\n0.227997 0.517062 0.348492 O\n0.727997 0.982938 0.651508 O\n0.765324 0.253433 0.643604 O\n0.265324 0.246567 0.356396 O\n0.234676 0.746567 0.356396 O\n0.734676 0.753433 0.643604 O\n0.607732 0.364326 0.755553 O\n0.107732 0.135674 0.244447 O\n0.392268 0.635674 0.244447 O\n0.892268 0.864326 0.755553 O\n0.924524 0.351366 0.758142 O\n0.424524 0.148634 0.241858 O\n0.075476 0.648634 0.241858 O\n0.575476 0.851366 0.758142 O\n0.260518 0.710844 0.856534 O\n0.760518 0.789156 0.143466 O\n0.739482 0.289156 0.143466 O\n0.239482 0.210844 0.856534 O\n0.097858 0.599570 0.749061 O\n0.597858 0.900430 0.250939 O\n0.902142 0.400430 0.250939 O\n0.402142 0.099570 0.749061 O\n0.267954 0.480889 0.852318 O\n0.767954 0.019111 0.147682 O\n0.732046 0.519111 0.147682 O\n0.232046 0.980889 0.852318 O\n0.415121 0.610401 0.742264 O\n0.915121 0.889599 0.257736 O\n0.584879 0.389599 0.257736 O\n0.084879 0.110401 0.742264 O\n0.755292 0.622647 0.834154 O\n0.255292 0.877353 0.165846 O\n0.244708 0.377353 0.165846 O\n0.744708 0.122647 0.834154 O\n0.775869 0.455083 0.947775 O\n0.275869 0.044917 0.052225 O\n0.224131 0.544917 0.052225 O\n0.724131 0.955083 0.947775 O\n0.908601 0.661461 0.966930 O\n0.408601 0.838539 0.033070 O\n0.091399 0.338539 0.033070 O\n0.591399 0.161461 0.966930 O\n0.597006 0.637801 0.969249 O\n0.097006 0.862199 0.030751 O\n0.402994 0.362199 0.030751 O\n0.902994 0.137801 0.969249 O\n0.253714 0.372036 0.663003 O\n0.753714 0.127964 0.336997 O\n0.746286 0.627964 0.336997 O\n0.246286 0.872036 0.663003 O\n0.098147 0.378694 0.526388 O\n0.598147 0.121306 0.473612 O\n0.901853 0.621306 0.473612 O\n0.401853 0.878694 0.526388 O\n0.411933 0.395525 0.529364 O\n0.911933 0.104475 0.470636 O\n0.588067 0.604475 0.470636 O\n0.088067 0.895525 0.529364 O\n0.268442 0.194677 0.562603 O\n0.768442 0.305323 0.437397 O\n0.731558 0.805323 0.437397 O\n0.231558 0.694677 0.562603 O\n",
            "nsites": 96,
            "nelements": 3,
            "elements": [
                "Ag",
                "S",
                "O"
            ],
            "chemical_system": "Ag-O-S",
            "density": 4.236350002217609,
            "density_atomic": 0.07506045000793539,
            "volume": 1278.9691507291907,
            "volume_molar": 8.023054430613378,
            "formula_full": "Ag16 S16 O64",
            "formula_reduced": "AgSO4",
            "formula_anonymous": "ABC4",
            "energy": -556.68531017,
            "energy_per_atom": -5.798805314270833,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -512.71731017,
            "band_gap": 0.0651999999999999,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0018423,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.492000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-23993",
            "created_at": "2022-09-04T14:44:31.052970Z",
            "structure_string": "H16 C4 S4 N8\n1.0\n7.130678 0.000000 0.000000\n0.000000 4.299758 0.000000\n0.000000 1.282182 13.301067\nH C S N\n16 4 4 8\ndirect\n0.959298 0.682551 0.590198 H\n0.459298 0.317449 0.909802 H\n0.040702 0.317449 0.409802 H\n0.540702 0.682551 0.090198 H\n0.730341 0.680194 0.629690 H\n0.230341 0.319806 0.870310 H\n0.269659 0.319806 0.370310 H\n0.769659 0.680194 0.129690 H\n0.879390 0.393452 0.674273 H\n0.691697 0.409809 0.052270 H\n0.120610 0.606548 0.325727 H\n0.620610 0.393452 0.174273 H\n0.808303 0.409809 0.552270 H\n0.308303 0.590191 0.947730 H\n0.191697 0.590191 0.447730 H\n0.379390 0.606548 0.825727 H\n0.820942 0.109124 0.887232 C\n0.179058 0.890876 0.112768 C\n0.679058 0.109124 0.387232 C\n0.320942 0.890876 0.612768 C\n0.481699 0.975679 0.692644 S\n0.981699 0.024321 0.807356 S\n0.518301 0.024321 0.307356 S\n0.018301 0.975679 0.192644 S\n0.843021 0.543157 0.611473 N\n0.702832 0.170476 0.945022 N\n0.797168 0.170476 0.445022 N\n0.297168 0.829524 0.054978 N\n0.202832 0.829524 0.554978 N\n0.656979 0.543157 0.111473 N\n0.156979 0.456843 0.388527 N\n0.343021 0.456843 0.888527 N\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "H",
                "C",
                "S",
                "N"
            ],
            "chemical_system": "C-H-N-S",
            "density": 1.2397994954357476,
            "density_atomic": 0.07846729086635358,
            "volume": 407.81323844228007,
            "volume_molar": 7.674714767783918,
            "formula_full": "H16 C4 S4 N8",
            "formula_reduced": "H4CSN2",
            "formula_anonymous": "ABC2D4",
            "energy": -185.80799008,
            "energy_per_atom": -5.80649969,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -180.90799008,
            "band_gap": 4.332,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0003261,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:39.535000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-634117",
            "created_at": "2022-09-04T14:44:31.078001Z",
            "structure_string": "B4 H12\n1.0\n6.619432 0.000000 0.000000\n0.000000 4.310509 0.000000\n0.000000 2.751827 5.601828\nB H\n4 12\ndirect\n0.542449 0.139557 0.357621 B\n0.042449 0.860443 0.142379 B\n0.457551 0.860443 0.642379 B\n0.957551 0.139557 0.857621 B\n0.641408 0.385906 0.332226 H\n0.141408 0.614094 0.167774 H\n0.358592 0.614094 0.667774 H\n0.858592 0.385906 0.832226 H\n0.501300 0.081907 0.192288 H\n0.001300 0.918093 0.307712 H\n0.498700 0.918093 0.807712 H\n0.998700 0.081907 0.692288 H\n0.624646 0.858788 0.527236 H\n0.124646 0.141212 0.972764 H\n0.375354 0.141212 0.472764 H\n0.875354 0.858788 0.027236 H\n",
            "nsites": 16,
            "nelements": 2,
            "elements": [
                "B",
                "H"
            ],
            "chemical_system": "B-H",
            "density": 0.5749148817169997,
            "density_atomic": 0.10010157975065785,
            "volume": 159.8376373265463,
            "volume_molar": 6.016029692039323,
            "formula_full": "B4 H12",
            "formula_reduced": "BH3",
            "formula_anonymous": "AB3",
            "energy": -70.05840237,
            "energy_per_atom": -4.378650148125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -67.91040237,
            "band_gap": 5.3252,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004938,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.127000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-623814",
            "created_at": "2022-09-04T14:44:31.095639Z",
            "structure_string": "Hf16 Fe2 Te12\n1.0\n3.738266 0.000000 0.000000\n0.000000 7.691725 0.000000\n0.000000 0.000000 26.076736\nHf Fe Te\n16 2 12\ndirect\n0.500000 0.739211 0.433886 Hf\n0.000000 0.260789 0.066114 Hf\n0.500000 0.073789 0.500000 Hf\n0.000000 0.057696 0.801538 Hf\n0.000000 0.260789 0.933886 Hf\n0.500000 0.942304 0.698462 Hf\n0.500000 0.943882 0.900606 Hf\n0.000000 0.056118 0.599394 Hf\n0.000000 0.056118 0.400606 Hf\n0.500000 0.942304 0.301538 Hf\n0.000000 0.459232 0.500000 Hf\n0.000000 0.926211 0.000000 Hf\n0.500000 0.540768 0.000000 Hf\n0.000000 0.057696 0.198462 Hf\n0.500000 0.943882 0.099394 Hf\n0.500000 0.739211 0.566114 Hf\n0.000000 0.816177 0.500000 Fe\n0.500000 0.183823 0.000000 Fe\n0.000000 0.699413 0.344134 Te\n0.000000 0.649329 0.082139 Te\n0.500000 0.350671 0.417861 Te\n0.000000 0.649329 0.917861 Te\n0.500000 0.300587 0.155866 Te\n0.500000 0.300587 0.844134 Te\n0.500000 0.775488 0.202505 Te\n0.000000 0.224512 0.702505 Te\n0.000000 0.224512 0.297495 Te\n0.500000 0.350671 0.582139 Te\n0.500000 0.775488 0.797495 Te\n0.000000 0.699413 0.655866 Te\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Hf",
                "Fe",
                "Te"
            ],
            "chemical_system": "Fe-Hf-Te",
            "density": 9.963039375344623,
            "density_atomic": 0.04001050887904951,
            "volume": 749.8030102713526,
            "volume_molar": 15.051397567086038,
            "formula_full": "Hf16 Fe2 Te12",
            "formula_reduced": "Hf8FeTe6",
            "formula_anonymous": "AB6C8",
            "energy": -237.77874367,
            "energy_per_atom": -7.925958122333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -232.71474367,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0137244,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:46.674000Z",
            "spacegroup": 59
        },
        {
            "id": "mp-559663",
            "created_at": "2022-09-04T14:44:31.259017Z",
            "structure_string": "Sr2 Li2 Ni2 F12\n1.0\n2.611614 -4.523449 0.000000\n2.611614 4.523449 0.000000\n0.000000 0.000000 10.470123\nSr Li Ni F\n2 2 2 12\ndirect\n0.000000 0.000000 0.000000 Sr\n0.000000 0.000000 0.500000 Sr\n0.333333 0.666667 0.250000 Li\n0.666667 0.333333 0.750000 Li\n0.666667 0.333333 0.250000 Ni\n0.333333 0.666667 0.750000 Ni\n0.377449 0.019865 0.145718 F\n0.622551 0.642417 0.645718 F\n0.357583 0.980135 0.645718 F\n0.019865 0.377449 0.645718 F\n0.980135 0.622551 0.354282 F\n0.980135 0.357583 0.145718 F\n0.642417 0.622551 0.145718 F\n0.642417 0.019865 0.354282 F\n0.019865 0.642417 0.854282 F\n0.377449 0.357583 0.354282 F\n0.622551 0.980135 0.854282 F\n0.357583 0.377449 0.854282 F\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Sr",
                "Li",
                "Ni",
                "F"
            ],
            "chemical_system": "F-Li-Ni-Sr",
            "density": 3.587797494873021,
            "density_atomic": 0.07276324175032174,
            "volume": 247.37765342787807,
            "volume_molar": 8.276350276784324,
            "formula_full": "Sr2 Li2 Ni2 F12",
            "formula_reduced": "SrLiNiF6",
            "formula_anonymous": "ABCD6",
            "energy": -95.55123986,
            "energy_per_atom": -5.3084022144444445,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -84.92523986,
            "band_gap": 0.0,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 6.0016005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:45.198000Z",
            "spacegroup": 163
        },
        {
            "id": "mp-553974",
            "created_at": "2022-09-04T14:44:31.302726Z",
            "structure_string": "Ba7 Fe6 Cu1 F34\n1.0\n5.800489 8.605988 0.000000\n-5.800489 8.605988 0.000000\n0.000000 1.577876 7.658659\nBa Fe Cu F\n7 6 1 34\ndirect\n0.440431 0.841194 0.698981 Ba\n0.158806 0.559569 0.301019 Ba\n0.559569 0.158806 0.301019 Ba\n0.841194 0.440431 0.698981 Ba\n0.735638 0.735638 0.125723 Ba\n0.264362 0.264362 0.874277 Ba\n0.000000 0.000000 0.000000 Ba\n0.352876 0.866715 0.199524 Fe\n0.133285 0.647124 0.800476 Fe\n0.647124 0.133285 0.800476 Fe\n0.866715 0.352876 0.199524 Fe\n0.826439 0.826439 0.541050 Fe\n0.173561 0.173561 0.458950 Fe\n0.500000 0.500000 0.500000 Cu\n0.560512 0.560512 0.674143 F\n0.439488 0.439488 0.325857 F\n0.888874 0.888874 0.305816 F\n0.111126 0.111126 0.694184 F\n0.746272 0.746272 0.759367 F\n0.253728 0.253728 0.240633 F\n0.355743 0.119997 0.544450 F\n0.880003 0.644257 0.455550 F\n0.644257 0.880003 0.455550 F\n0.119997 0.355743 0.544450 F\n0.231185 0.985510 0.386002 F\n0.014490 0.768815 0.613998 F\n0.768815 0.014490 0.613998 F\n0.985510 0.231185 0.386002 F\n0.246538 0.513580 0.971489 F\n0.486420 0.753462 0.028511 F\n0.753462 0.486420 0.028511 F\n0.513580 0.246538 0.971489 F\n0.004568 0.263628 0.007114 F\n0.736372 0.995432 0.992886 F\n0.995432 0.736372 0.992886 F\n0.263628 0.004568 0.007114 F\n0.040894 0.515944 0.803275 F\n0.484056 0.959106 0.196725 F\n0.959106 0.484056 0.196725 F\n0.515944 0.040894 0.803275 F\n0.793542 0.206830 0.200946 F\n0.793170 0.206458 0.799054 F\n0.206458 0.793170 0.799054 F\n0.206830 0.793542 0.200946 F\n0.276132 0.554272 0.614380 F\n0.445728 0.723868 0.385620 F\n0.723868 0.445728 0.385620 F\n0.554272 0.276132 0.614380 F\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Ba",
                "Fe",
                "Cu",
                "F"
            ],
            "chemical_system": "Ba-Cu-F-Fe",
            "density": 4.35611795694242,
            "density_atomic": 0.06277593138395941,
            "volume": 764.6242587213134,
            "volume_molar": 9.593072738605015,
            "formula_full": "Ba7 Fe6 Cu1 F34",
            "formula_reduced": "Ba7Fe6CuF34",
            "formula_anonymous": "AB6C7D34",
            "energy": -291.81998721,
            "energy_per_atom": -6.079583066875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -262.57598721,
            "band_gap": 0.6143000000000001,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 31.0006771,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:42.070000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-1203335",
            "created_at": "2022-09-04T14:44:31.095080Z",
            "structure_string": "Mn12 As4 O32\n1.0\n9.155404 0.000000 0.000000\n0.000000 12.455834 0.000000\n0.000000 0.000000 5.156372\nMn As O\n12 4 32\ndirect\n0.525746 0.117934 0.029785 Mn\n0.025746 0.382066 0.470215 Mn\n0.474254 0.617934 0.970215 Mn\n0.974254 0.882066 0.529785 Mn\n0.474254 0.882066 0.970215 Mn\n0.974254 0.617934 0.529785 Mn\n0.525746 0.382066 0.029785 Mn\n0.025746 0.117934 0.470215 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.650764 0.750000 0.477730 As\n0.150764 0.750000 0.022270 As\n0.349236 0.250000 0.522270 As\n0.849236 0.250000 0.977730 As\n0.630239 0.091350 0.319471 O\n0.130239 0.408650 0.180529 O\n0.369761 0.591350 0.680529 O\n0.869761 0.908650 0.819471 O\n0.369761 0.908650 0.680529 O\n0.869761 0.591350 0.819471 O\n0.630239 0.408650 0.319471 O\n0.130239 0.091350 0.180529 O\n0.412673 0.137652 0.681028 O\n0.912673 0.362348 0.818972 O\n0.587327 0.637652 0.318972 O\n0.087327 0.862348 0.181027 O\n0.587327 0.862348 0.318972 O\n0.087327 0.637652 0.181027 O\n0.412673 0.362348 0.681028 O\n0.912673 0.137652 0.818972 O\n0.395244 0.005221 0.168094 O\n0.895244 0.494779 0.331906 O\n0.604756 0.505221 0.831906 O\n0.104756 0.994779 0.668094 O\n0.604756 0.994779 0.831906 O\n0.104756 0.505221 0.668094 O\n0.395244 0.494779 0.168094 O\n0.895244 0.005221 0.331906 O\n0.590307 0.750000 0.797725 O\n0.090307 0.750000 0.702275 O\n0.409693 0.250000 0.202275 O\n0.909693 0.250000 0.297725 O\n0.659704 0.250000 0.940668 O\n0.159704 0.250000 0.559332 O\n0.340296 0.750000 0.059332 O\n0.840296 0.750000 0.440668 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "Mn",
                "As",
                "O"
            ],
            "chemical_system": "As-Mn-O",
            "density": 4.153791454014122,
            "density_atomic": 0.08162941254557002,
            "volume": 588.023342360865,
            "volume_molar": 7.377415287214165,
            "formula_full": "Mn12 As4 O32",
            "formula_reduced": "Mn3AsO8",
            "formula_anonymous": "AB3C8",
            "energy": -367.44048029,
            "energy_per_atom": -7.655010006041667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -325.44048029,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.0583987,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:45.598000Z",
            "spacegroup": 62
        }
    ]
}