GET /third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10385
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&page=10386",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy&page=10384",
    "results": [
        {
            "id": "mp-1207891",
            "created_at": "2022-09-04T14:40:42.459456Z",
            "structure_string": "Y12 Al12 Cr8 O48\n1.0\n-6.141696 6.141696 6.141696\n6.141696 -6.141696 6.141696\n6.141696 6.141696 -6.141696\nY Al Cr O\n12 12 8 48\ndirect\n0.250000 0.375000 0.125000 Y\n0.750000 0.625000 0.875000 Y\n0.750000 0.125000 0.375000 Y\n0.125000 0.250000 0.375000 Y\n0.375000 0.750000 0.125000 Y\n0.250000 0.875000 0.625000 Y\n0.875000 0.750000 0.625000 Y\n0.625000 0.250000 0.875000 Y\n0.375000 0.125000 0.250000 Y\n0.625000 0.875000 0.750000 Y\n0.125000 0.375000 0.750000 Y\n0.875000 0.625000 0.250000 Y\n0.250000 0.625000 0.375000 Al\n0.750000 0.375000 0.625000 Al\n0.750000 0.875000 0.125000 Al\n0.375000 0.250000 0.625000 Al\n0.625000 0.750000 0.375000 Al\n0.250000 0.125000 0.875000 Al\n0.125000 0.750000 0.875000 Al\n0.875000 0.250000 0.125000 Al\n0.625000 0.375000 0.250000 Al\n0.375000 0.625000 0.750000 Al\n0.875000 0.125000 0.750000 Al\n0.125000 0.875000 0.250000 Al\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.500000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.000000 0.000000 Cr\n0.500000 0.500000 0.000000 Cr\n0.500000 0.500000 0.500000 Cr\n0.000000 0.000000 0.500000 Cr\n0.000000 0.500000 0.000000 Cr\n0.476452 0.377592 0.292214 O\n0.523548 0.622408 0.707786 O\n0.585378 0.184238 0.207786 O\n0.914622 0.122408 0.598860 O\n0.292214 0.476452 0.377592 O\n0.315762 0.914622 0.292214 O\n0.414622 0.815762 0.792214 O\n0.085378 0.877592 0.401140 O\n0.707786 0.523548 0.622408 O\n0.684238 0.085378 0.707786 O\n0.023548 0.315762 0.901140 O\n0.207786 0.585378 0.184238 O\n0.122408 0.023548 0.207786 O\n0.976452 0.684238 0.098860 O\n0.792214 0.414622 0.815762 O\n0.877592 0.976452 0.792214 O\n0.598860 0.914622 0.122408 O\n0.184238 0.476452 0.598860 O\n0.401140 0.085378 0.877592 O\n0.815762 0.523548 0.401140 O\n0.901140 0.023548 0.315762 O\n0.377592 0.585378 0.901140 O\n0.098860 0.976452 0.684238 O\n0.622408 0.414622 0.098860 O\n0.377592 0.292214 0.476452 O\n0.585378 0.901140 0.377592 O\n0.622408 0.707786 0.523548 O\n0.414622 0.098860 0.622408 O\n0.122408 0.598860 0.914622 O\n0.023548 0.207786 0.122408 O\n0.877592 0.401140 0.085378 O\n0.976452 0.792214 0.877592 O\n0.315762 0.901140 0.023548 O\n0.914622 0.292214 0.315762 O\n0.684238 0.098860 0.976452 O\n0.085378 0.707786 0.684238 O\n0.184238 0.207786 0.585378 O\n0.476452 0.598860 0.184238 O\n0.815762 0.792214 0.414622 O\n0.523548 0.401140 0.815762 O\n0.292214 0.315762 0.914622 O\n0.707786 0.684238 0.085378 O\n0.207786 0.122408 0.023548 O\n0.792214 0.877592 0.976452 O\n0.901140 0.377592 0.585378 O\n0.098860 0.622408 0.414622 O\n0.598860 0.184238 0.476452 O\n0.401140 0.815762 0.523548 O\n",
            "nsites": 80,
            "nelements": 4,
            "elements": [
                "Y",
                "Al",
                "Cr",
                "O"
            ],
            "chemical_system": "Al-Cr-O-Y",
            "density": 4.613515781687883,
            "density_atomic": 0.08633065729692102,
            "volume": 926.6696502130443,
            "volume_molar": 6.975668839503646,
            "formula_full": "Y12 Al12 Cr8 O48",
            "formula_reduced": "Y3Al3Cr2O12",
            "formula_anonymous": "A2B3C3D12",
            "energy": -710.9718778499998,
            "energy_per_atom": -8.887148473124999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -662.00387785,
            "band_gap": 3.5074,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 24.067166,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:07.703000Z",
            "spacegroup": 230
        },
        {
            "id": "mp-697618",
            "created_at": "2022-09-04T14:40:42.614636Z",
            "structure_string": "Na8 Al8 Si8 O32\n1.0\n-9.725804 0.000000 0.000000\n4.862902 -8.422794 0.000000\n0.000000 0.000000 9.681573\nNa Al Si O\n8 8 8 32\ndirect\n0.434693 0.589194 0.512028 Na\n0.565307 0.410806 0.012028 Na\n0.410806 0.023888 0.012028 Na\n0.589194 0.976112 0.512028 Na\n0.976112 0.434693 0.512028 Na\n0.000000 0.000000 0.988447 Na\n0.023888 0.565307 0.012028 Na\n0.000000 0.000000 0.488447 Na\n0.240965 0.082953 0.316847 Al\n0.917047 0.323918 0.816847 Al\n0.759035 0.917047 0.816847 Al\n0.082953 0.676082 0.316847 Al\n0.676082 0.240965 0.316847 Al\n0.333333 0.333333 0.827155 Al\n0.666667 0.666667 0.327155 Al\n0.323918 0.759035 0.816847 Al\n0.666667 0.666667 0.676548 Si\n0.333333 0.333333 0.176548 Si\n0.690177 0.193842 0.744561 Si\n0.884019 0.309823 0.244561 Si\n0.309823 0.806158 0.244561 Si\n0.115981 0.690177 0.744561 Si\n0.193842 0.115981 0.744561 Si\n0.806158 0.884019 0.244561 Si\n0.493252 0.668794 0.274956 O\n0.986894 0.251586 0.087858 O\n0.193898 0.771898 0.348247 O\n0.806102 0.228102 0.848247 O\n0.331206 0.162046 0.774956 O\n0.837954 0.493252 0.274956 O\n0.162046 0.506748 0.774956 O\n0.932283 0.388111 0.989412 O\n0.013106 0.748414 0.587858 O\n0.666667 0.666667 0.507728 O\n0.388111 0.679606 0.989412 O\n0.496172 0.328365 0.226516 O\n0.327857 0.174953 0.225970 O\n0.611889 0.320394 0.489412 O\n0.965795 0.806102 0.848247 O\n0.748414 0.238479 0.587858 O\n0.320394 0.067717 0.489412 O\n0.034205 0.193898 0.348247 O\n0.671635 0.824537 0.726516 O\n0.238479 0.013106 0.587858 O\n0.824537 0.503828 0.726516 O\n0.761521 0.986894 0.087858 O\n0.506748 0.331206 0.774956 O\n0.503828 0.671635 0.726516 O\n0.228102 0.965795 0.848247 O\n0.771898 0.034205 0.348247 O\n0.679606 0.932283 0.989412 O\n0.251586 0.761521 0.087858 O\n0.175463 0.496172 0.226516 O\n0.668794 0.837954 0.274956 O\n0.067717 0.611889 0.489412 O\n0.333333 0.333333 0.007728 O\n",
            "nsites": 56,
            "nelements": 4,
            "elements": [
                "Na",
                "Al",
                "Si",
                "O"
            ],
            "chemical_system": "Al-Na-O-Si",
            "density": 2.3793930131465117,
            "density_atomic": 0.07060905681933878,
            "volume": 793.0993915310653,
            "volume_molar": 8.528850307982905,
            "formula_full": "Na8 Al8 Si8 O32",
            "formula_reduced": "NaAlSiO4",
            "formula_anonymous": "ABCD4",
            "energy": -180.55399295,
            "energy_per_atom": -3.2241784455357143,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -175.40199295,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.6513401,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:03.492000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-32711",
            "created_at": "2022-09-04T14:40:53.435427Z",
            "structure_string": "Sr10 Br20\n1.0\n11.751271 0.000000 0.000000\n0.000000 11.751271 0.000000\n0.000000 0.000000 7.263813\nSr Br\n10 20\ndirect\n0.335057 0.354147 0.247873 Sr\n0.145853 0.835057 0.247873 Sr\n0.645853 0.335057 0.752127 Sr\n0.835057 0.854147 0.752127 Sr\n0.164943 0.145853 0.752127 Sr\n0.500000 0.000000 0.150556 Sr\n0.354147 0.664943 0.752127 Sr\n0.664943 0.645853 0.247873 Sr\n0.000000 0.500000 0.849444 Sr\n0.854147 0.164943 0.247873 Sr\n0.589096 0.792704 0.903509 Br\n0.000000 0.000000 0.000000 Br\n0.709684 0.902110 0.376240 Br\n0.207296 0.589096 0.096491 Br\n0.410904 0.207296 0.903509 Br\n0.597890 0.209684 0.376240 Br\n0.902110 0.290316 0.623760 Br\n0.290316 0.097890 0.376240 Br\n0.707296 0.089096 0.903509 Br\n0.292704 0.910904 0.903509 Br\n0.097890 0.709684 0.623760 Br\n0.402110 0.790316 0.376240 Br\n0.000000 0.000000 0.500000 Br\n0.500000 0.500000 0.000000 Br\n0.792704 0.410904 0.096491 Br\n0.790316 0.597890 0.623760 Br\n0.500000 0.500000 0.500000 Br\n0.910904 0.707296 0.096491 Br\n0.209684 0.402110 0.623760 Br\n0.089096 0.292704 0.096491 Br\n",
            "nsites": 30,
            "nelements": 2,
            "elements": [
                "Sr",
                "Br"
            ],
            "chemical_system": "Br-Sr",
            "density": 4.096034475926378,
            "density_atomic": 0.02990796859736873,
            "volume": 1003.0771532453517,
            "volume_molar": 20.135572699945328,
            "formula_full": "Sr10 Br20",
            "formula_reduced": "SrBr2",
            "formula_anonymous": "AB2",
            "energy": -124.36753328,
            "energy_per_atom": -4.145584442666666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -113.68753328,
            "band_gap": 4.299799999999999,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0007729,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:22.463000Z",
            "spacegroup": 85
        },
        {
            "id": "mp-1028919",
            "created_at": "2022-09-04T14:40:53.446024Z",
            "structure_string": "Te4 Mo2 W2 Se2 S2\n1.0\n1.698819 -2.942442 0.000000\n1.698819 2.942442 0.000000\n0.000000 0.000000 40.448430\nTe Mo W Se S\n4 2 2 2 2\ndirect\n0.333333 0.666667 0.706131 Te\n0.666667 0.333333 0.421420 Te\n0.666667 0.333333 0.514148 Te\n0.333333 0.666667 0.612934 Te\n0.333333 0.666667 0.467772 Mo\n0.666667 0.333333 0.281679 Mo\n0.333333 0.666667 0.093896 W\n0.666667 0.333333 0.659545 W\n0.666667 0.333333 0.052980 Se\n0.666667 0.333333 0.134840 Se\n0.333333 0.666667 0.318841 S\n0.333333 0.666667 0.244562 S\n",
            "nsites": 12,
            "nelements": 5,
            "elements": [
                "Te",
                "Mo",
                "W",
                "Se",
                "S"
            ],
            "chemical_system": "Mo-S-Se-Te-W",
            "density": 5.305524044250125,
            "density_atomic": 0.029675261904548878,
            "volume": 404.3772229744175,
            "volume_molar": 20.293471307415402,
            "formula_full": "Te4 Mo2 W2 Se2 S2",
            "formula_reduced": "Te2MoWSeS",
            "formula_anonymous": "ABCDE2",
            "energy": -83.73829748,
            "energy_per_atom": -6.978191456666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -80.10029748,
            "band_gap": 1.2454,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001241,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:57.365000Z",
            "spacegroup": 156
        },
        {
            "id": "mp-714931",
            "created_at": "2022-09-04T14:40:53.690604Z",
            "structure_string": "V4 O8\n1.0\n4.876362 0.000000 0.000000\n0.914236 6.431978 0.000000\n1.098887 0.863129 8.648888\nV O\n4 8\ndirect\n0.971439 0.172143 0.983396 V\n0.028561 0.827857 0.016604 V\n0.357230 0.009686 0.200164 V\n0.642770 0.990314 0.799836 V\n0.279971 0.754195 0.156766 O\n0.720029 0.245805 0.843234 O\n0.291646 0.015139 0.384499 O\n0.708354 0.984861 0.615501 O\n0.741408 0.005418 0.132591 O\n0.258592 0.994582 0.867409 O\n0.194225 0.261130 0.109308 O\n0.805775 0.738870 0.890692 O\n",
            "nsites": 12,
            "nelements": 2,
            "elements": [
                "V",
                "O"
            ],
            "chemical_system": "O-V",
            "density": 2.030831677065359,
            "density_atomic": 0.04423647210118917,
            "volume": 271.2693718556597,
            "volume_molar": 13.61351950992971,
            "formula_full": "V4 O8",
            "formula_reduced": "VO2",
            "formula_anonymous": "AB2",
            "energy": -99.84347841,
            "energy_per_atom": -8.3202898675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -87.54747841,
            "band_gap": 1.2589,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 5.4e-06,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:58.235000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-769495",
            "created_at": "2022-09-04T14:40:42.393454Z",
            "structure_string": "Na10 Ni4 P4 C4 O28\n1.0\n6.635436 0.000000 0.000000\n0.000000 5.198584 0.000000\n0.000000 0.512988 17.639592\nNa Ni P C O\n10 4 4 4 28\ndirect\n0.013714 0.254481 0.883423 Na\n0.486286 0.254481 0.883423 Na\n0.513714 0.745519 0.116577 Na\n0.986286 0.745519 0.116577 Na\n0.250000 0.776968 0.289766 Na\n0.007251 0.254512 0.382852 Na\n0.492749 0.254512 0.382852 Na\n0.507251 0.745488 0.617148 Na\n0.992749 0.745488 0.617148 Na\n0.750000 0.223032 0.710234 Na\n0.750000 0.777527 0.922600 Ni\n0.250000 0.222473 0.077400 Ni\n0.750000 0.777808 0.422677 Ni\n0.250000 0.222192 0.577323 Ni\n0.250000 0.719010 0.959356 P\n0.750000 0.280990 0.040644 P\n0.250000 0.719813 0.459446 P\n0.750000 0.280187 0.540554 P\n0.750000 0.710273 0.781725 C\n0.250000 0.289727 0.218275 C\n0.750000 0.712083 0.283201 C\n0.250000 0.287917 0.716799 C\n0.250000 0.317278 0.787253 O\n0.750000 0.935499 0.811382 O\n0.750000 0.510776 0.827922 O\n0.062654 0.791114 0.911051 O\n0.437346 0.791114 0.911051 O\n0.750000 0.142292 0.964433 O\n0.250000 0.421721 0.976566 O\n0.750000 0.578279 0.023434 O\n0.250000 0.857708 0.035567 O\n0.562654 0.208886 0.088949 O\n0.937346 0.208886 0.088949 O\n0.250000 0.489224 0.172078 O\n0.250000 0.064501 0.188618 O\n0.750000 0.682722 0.212747 O\n0.250000 0.313766 0.290617 O\n0.750000 0.937697 0.312852 O\n0.750000 0.519457 0.332295 O\n0.064428 0.787706 0.409076 O\n0.435572 0.787706 0.409076 O\n0.750000 0.136043 0.465405 O\n0.250000 0.424398 0.478619 O\n0.750000 0.575602 0.521381 O\n0.250000 0.863957 0.534595 O\n0.564428 0.212294 0.590924 O\n0.935572 0.212294 0.590924 O\n0.250000 0.480543 0.667705 O\n0.250000 0.062303 0.687148 O\n0.750000 0.686234 0.709383 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Ni",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Na-Ni-O-P",
            "density": 2.9598695059783333,
            "density_atomic": 0.08217258287683198,
            "volume": 608.475457987547,
            "volume_molar": 7.328649714012948,
            "formula_full": "Na10 Ni4 P4 C4 O28",
            "formula_reduced": "Na5Ni2P2(CO7)2",
            "formula_anonymous": "A2B2C2D5E14",
            "energy": -341.37850498,
            "energy_per_atom": -6.8275700996,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -311.97850498,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.3316045,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.297000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1120715",
            "created_at": "2022-09-04T14:40:42.400015Z",
            "structure_string": "Ag3 Bi1 Br6\n1.0\n0.000000 5.589855 5.589855\n5.589855 0.000000 5.589855\n5.589855 5.589855 0.000000\nAg Bi Br\n3 1 6\ndirect\n0.750000 0.750000 0.750000 Ag\n0.250000 0.250000 0.250000 Ag\n0.500000 0.500000 0.500000 Ag\n0.000000 0.000000 0.000000 Bi\n0.746425 0.746425 0.253575 Br\n0.253575 0.746425 0.253575 Br\n0.746425 0.253575 0.253575 Br\n0.253575 0.253575 0.746425 Br\n0.746425 0.253575 0.746425 Br\n0.253575 0.746425 0.746425 Br\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Ag",
                "Bi",
                "Br"
            ],
            "chemical_system": "Ag-Bi-Br",
            "density": 4.810628823628253,
            "density_atomic": 0.028626508193122853,
            "volume": 349.3265728581724,
            "volume_molar": 21.0369379296031,
            "formula_full": "Ag3 Bi1 Br6",
            "formula_reduced": "Ag3BiBr6",
            "formula_anonymous": "AB3C6",
            "energy": -27.16144356,
            "energy_per_atom": -2.716144356,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -23.95744356,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0041485,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.790000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1113588",
            "created_at": "2022-09-04T14:40:42.413357Z",
            "structure_string": "Cs2 In1 Ag1 F6\n1.0\n0.000000 4.624924 4.624924\n4.624924 0.000000 4.624924\n4.624924 4.624924 0.000000\nCs In Ag F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 Ag\n0.770681 0.229319 0.229319 F\n0.229319 0.229319 0.770681 F\n0.229319 0.770681 0.770681 F\n0.229319 0.770681 0.229319 F\n0.770681 0.229319 0.770681 F\n0.770681 0.770681 0.229319 F\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Cs",
                "In",
                "Ag",
                "F"
            ],
            "chemical_system": "Ag-Cs-F-In",
            "density": 5.056538959944953,
            "density_atomic": 0.0505424398402617,
            "volume": 197.85352728528312,
            "volume_molar": 11.915017911744757,
            "formula_full": "Cs2 In1 Ag1 F6",
            "formula_reduced": "Cs2InAgF6",
            "formula_anonymous": "ABC2D6",
            "energy": -45.22919119,
            "energy_per_atom": -4.522919119,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -42.45719119,
            "band_gap": 2.1888,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0001791,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:06.929000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1215880",
            "created_at": "2022-09-04T14:40:42.413673Z",
            "structure_string": "Zr32 As20\n1.0\n3.734931 0.000000 0.000000\n0.000000 10.212681 0.000000\n0.000000 0.000000 28.800934\nZr As\n32 20\ndirect\n0.500000 0.257940 0.417986 Zr\n0.500000 0.241115 0.582863 Zr\n0.500000 0.742060 0.917986 Zr\n0.500000 0.758885 0.082863 Zr\n0.500000 0.573984 0.380664 Zr\n0.500000 0.924039 0.618915 Zr\n0.500000 0.426016 0.880664 Zr\n0.500000 0.075961 0.118915 Zr\n0.500000 0.255026 0.235837 Zr\n0.500000 0.244840 0.765358 Zr\n0.500000 0.744974 0.735837 Zr\n0.500000 0.755160 0.265358 Zr\n0.500000 0.411386 0.126467 Zr\n0.500000 0.085205 0.873552 Zr\n0.500000 0.588614 0.626467 Zr\n0.500000 0.914795 0.373552 Zr\n0.000000 0.663360 0.170962 Zr\n0.000000 0.839386 0.829882 Zr\n0.000000 0.336640 0.670962 Zr\n0.000000 0.160614 0.329882 Zr\n0.000000 0.251466 0.500579 Zr\n0.000000 0.748534 0.000579 Zr\n0.500000 0.476404 0.007525 Zr\n0.500000 0.020227 0.993284 Zr\n0.500000 0.523596 0.507525 Zr\n0.500000 0.979773 0.493284 Zr\n0.000000 0.502042 0.283320 Zr\n0.000000 0.996538 0.716551 Zr\n0.000000 0.497958 0.783320 Zr\n0.000000 0.003462 0.216551 Zr\n0.000000 0.754180 0.443763 Zr\n0.000000 0.245820 0.943763 Zr\n0.000000 0.464004 0.439760 As\n0.000000 0.038045 0.561528 As\n0.000000 0.535996 0.939760 As\n0.000000 0.961955 0.061528 As\n0.000000 0.558248 0.076702 As\n0.000000 0.946267 0.925230 As\n0.000000 0.441752 0.576702 As\n0.000000 0.053733 0.425230 As\n0.500000 0.513429 0.213889 As\n0.500000 0.985666 0.785414 As\n0.500000 0.486571 0.713889 As\n0.500000 0.014334 0.285414 As\n0.500000 0.353776 0.328570 As\n0.500000 0.142998 0.671461 As\n0.500000 0.646224 0.828570 As\n0.500000 0.857002 0.171461 As\n0.000000 0.232338 0.162870 As\n0.000000 0.268218 0.839069 As\n0.000000 0.767662 0.662870 As\n0.000000 0.731782 0.339069 As\n",
            "nsites": 52,
            "nelements": 2,
            "elements": [
                "Zr",
                "As"
            ],
            "chemical_system": "As-Zr",
            "density": 6.677387275698976,
            "density_atomic": 0.0473341324939743,
            "volume": 1098.573001345692,
            "volume_molar": 12.7226177869989,
            "formula_full": "Zr32 As20",
            "formula_reduced": "Zr8As5",
            "formula_anonymous": "A5B8",
            "energy": -415.6572093,
            "energy_per_atom": -7.993407871153845,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -415.6572093,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002516,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:04.706000Z",
            "spacegroup": 26
        },
        {
            "id": "mp-755835",
            "created_at": "2022-09-04T14:40:42.422045Z",
            "structure_string": "Li2 Bi2 B4 O10\n1.0\n4.392905 0.000000 0.000000\n0.000000 5.356223 0.000000\n0.000000 0.728675 7.544471\nLi Bi B O\n2 2 4 10\ndirect\n0.327883 0.839245 0.110150 Li\n0.827883 0.160755 0.889850 Li\n0.356111 0.876321 0.706317 Bi\n0.856111 0.123679 0.293683 Bi\n0.795446 0.611867 0.935084 B\n0.334428 0.565271 0.408617 B\n0.834428 0.434729 0.591383 B\n0.295446 0.388133 0.064916 B\n0.670273 0.850040 0.963334 O\n0.295061 0.844283 0.368791 O\n0.727182 0.586735 0.736030 O\n0.130523 0.598776 0.960924 O\n0.669437 0.517347 0.427319 O\n0.169437 0.482653 0.572681 O\n0.630523 0.401224 0.039076 O\n0.227182 0.413265 0.263970 O\n0.795061 0.155717 0.631209 O\n0.170273 0.149960 0.036666 O\n",
            "nsites": 18,
            "nelements": 4,
            "elements": [
                "Li",
                "Bi",
                "B",
                "O"
            ],
            "chemical_system": "B-Bi-Li-O",
            "density": 5.940716472684729,
            "density_atomic": 0.10139890150516075,
            "volume": 177.51671598813013,
            "volume_molar": 5.939059171852568,
            "formula_full": "Li2 Bi2 B4 O10",
            "formula_reduced": "LiBiB2O5",
            "formula_anonymous": "ABC2D5",
            "energy": -130.7871474,
            "energy_per_atom": -7.265952633333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -123.9171474,
            "band_gap": 3.3119,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0049657,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:08.223000Z",
            "spacegroup": 4
        },
        {
            "id": "mp-558828",
            "created_at": "2022-09-04T14:40:42.426155Z",
            "structure_string": "K3 Nb3 B2 O12\n1.0\n4.458392 -7.722161 0.000000\n4.458392 7.722161 0.000000\n0.000000 0.000000 4.032865\nK Nb B O\n3 3 2 12\ndirect\n0.000000 0.596607 0.498339 K\n0.596607 0.000000 0.498339 K\n0.403393 0.403393 0.498339 K\n0.247149 0.000000 0.020111 Nb\n0.752851 0.752851 0.020111 Nb\n0.000000 0.247149 0.020111 Nb\n0.333333 0.666667 0.982239 B\n0.666667 0.333333 0.982239 B\n0.262301 0.000000 0.481445 O\n0.316370 0.811943 0.981784 O\n0.188057 0.504428 0.981784 O\n0.820908 0.000000 0.986345 O\n0.811943 0.316370 0.981784 O\n0.495572 0.683630 0.981784 O\n0.000000 0.820908 0.986345 O\n0.179092 0.179092 0.986345 O\n0.683630 0.495572 0.981784 O\n0.737699 0.737699 0.481445 O\n0.504428 0.188057 0.981784 O\n0.000000 0.262301 0.481445 O\n",
            "nsites": 20,
            "nelements": 4,
            "elements": [
                "K",
                "Nb",
                "B",
                "O"
            ],
            "chemical_system": "B-K-Nb-O",
            "density": 3.6454724370860956,
            "density_atomic": 0.07202266927010667,
            "volume": 277.6903467017306,
            "volume_molar": 8.361451777655118,
            "formula_full": "K3 Nb3 B2 O12",
            "formula_reduced": "K3Nb3(BO6)2",
            "formula_anonymous": "A2B3C3D12",
            "energy": -163.98364851,
            "energy_per_atom": -8.1991824255,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -155.73964851,
            "band_gap": 2.3347,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.000212,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:07.651000Z",
            "spacegroup": 157
        },
        {
            "id": "mp-849411",
            "created_at": "2022-09-04T14:40:42.428882Z",
            "structure_string": "Li8 V6 P16 O58\n1.0\n9.754171 0.000000 0.000000\n-4.850189 8.485855 0.000000\n-0.003029 -0.043294 14.203937\nLi V P O\n8 6 16 58\ndirect\n0.330957 0.096855 0.555351 Li\n0.907273 0.678076 0.057296 Li\n0.775863 0.083537 0.060569 Li\n0.908533 0.231516 0.556670 Li\n0.222616 0.917516 0.941970 Li\n0.088283 0.313178 0.950168 Li\n0.668153 0.899574 0.441845 Li\n0.008725 0.954723 0.490144 Li\n0.002223 0.569072 0.259786 V\n0.000734 0.438218 0.743780 V\n0.433733 0.002861 0.753141 V\n0.564895 0.998107 0.246563 V\n0.432597 0.435456 0.249606 V\n0.567159 0.564138 0.747137 V\n0.314577 0.233593 0.844226 P\n0.313510 0.089507 0.339677 P\n0.774102 0.695264 0.340950 P\n0.673719 0.339505 0.133198 P\n0.665095 0.331348 0.629769 P\n0.909864 0.681915 0.839484 P\n0.085896 0.781399 0.658402 P\n0.774444 0.094988 0.840914 P\n0.224665 0.907233 0.160417 P\n0.910232 0.224158 0.342839 P\n0.089048 0.320026 0.163281 P\n0.337402 0.666125 0.370360 P\n0.330670 0.663472 0.865989 P\n0.225071 0.305515 0.657932 P\n0.685195 0.912347 0.661774 P\n0.685374 0.768455 0.155023 P\n0.210857 0.202450 0.576535 O\n0.344852 0.260804 0.328007 O\n0.230688 0.983544 0.069334 O\n0.335808 0.086047 0.842344 O\n0.475607 0.382685 0.822251 O\n0.530340 0.344477 0.180996 O\n0.615039 0.541413 0.333175 O\n0.769024 0.759198 0.070538 O\n0.742332 0.658189 0.833798 O\n0.511248 0.187178 0.667226 O\n0.467811 0.085959 0.328820 O\n0.671811 0.481388 0.676589 O\n0.678579 0.351197 0.028766 O\n0.675610 0.335588 0.525330 O\n0.823227 0.486032 0.177868 O\n0.621335 0.102662 0.820471 O\n0.671724 0.185709 0.168340 O\n0.912310 0.657977 0.336304 O\n0.007312 0.798526 0.755057 O\n0.004473 0.797273 0.575024 O\n0.996299 0.750753 0.930011 O\n0.902697 0.522061 0.816908 O\n0.814219 0.323121 0.671112 O\n0.078069 0.739107 0.166531 O\n0.908212 0.381202 0.329162 O\n0.740056 0.081256 0.334671 O\n0.204025 0.997689 0.249452 O\n0.225200 0.020104 0.428920 O\n0.772801 0.994247 0.573472 O\n0.259677 0.918354 0.665046 O\n0.082204 0.620077 0.669126 O\n0.922341 0.262955 0.833758 O\n0.187342 0.669994 0.326934 O\n0.094924 0.478026 0.182774 O\n0.999360 0.242177 0.074923 O\n0.984581 0.216898 0.432691 O\n0.999970 0.207259 0.252129 O\n0.084437 0.340582 0.658299 O\n0.329337 0.815911 0.833270 O\n0.377518 0.898125 0.179881 O\n0.180135 0.518172 0.817157 O\n0.317604 0.641792 0.969680 O\n0.329209 0.656171 0.474509 O\n0.329953 0.517697 0.321130 O\n0.528543 0.910441 0.674053 O\n0.489825 0.812715 0.333308 O\n0.257133 0.343074 0.164781 O\n0.203609 0.209480 0.753532 O\n0.234126 0.244924 0.929630 O\n0.384092 0.461658 0.668253 O\n0.473279 0.659575 0.817946 O\n0.525185 0.618576 0.175575 O\n0.662052 0.914881 0.156535 O\n0.769407 0.020528 0.932592 O\n0.794039 0.001280 0.752895 O\n0.658358 0.742277 0.667916 O\n0.796402 0.800845 0.423175 O\n0.794261 0.794705 0.247128 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Li",
                "V",
                "P",
                "O"
            ],
            "chemical_system": "Li-O-P-V",
            "density": 2.5207226347225236,
            "density_atomic": 0.07484933794144648,
            "volume": 1175.6951019238286,
            "volume_molar": 8.045683402986185,
            "formula_full": "Li8 V6 P16 O58",
            "formula_reduced": "Li4V3P8O29",
            "formula_anonymous": "A3B4C8D29",
            "energy": -670.1268162,
            "energy_per_atom": -7.615077456818182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -620.0808162,
            "band_gap": 0.8246,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0288132,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:07.146000Z",
            "spacegroup": 1
        }
    ]
}