GET /third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=149
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=energy_per_atom&page=150",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=148",
    "results": [
        {
            "id": "mp-972810",
            "created_at": "2022-09-04T14:47:16.140503Z",
            "structure_string": "Si1 Tc2 W1\n1.0\n0.000000 3.059969 3.059969\n3.059969 0.000000 3.059969\n3.059969 3.059969 0.000000\nSi Tc W\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Si\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n0.000000 0.000000 0.000000 W\n",
            "nsites": 4,
            "nelements": 3,
            "elements": [
                "Si",
                "Tc",
                "W"
            ],
            "chemical_system": "Si-Tc-W",
            "density": 11.820854618546404,
            "density_atomic": 0.06980377587670612,
            "volume": 57.303490388043905,
            "volume_molar": 8.627242128902685,
            "formula_full": "Si1 Tc2 W1",
            "formula_reduced": "SiTc2W",
            "formula_anonymous": "ABC2",
            "energy": -40.17260599,
            "energy_per_atom": -10.0431514975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.17260599,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 4.22e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:00.962000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1079831",
            "created_at": "2022-09-04T14:44:25.521385Z",
            "structure_string": "Hf3 Re3 Si3\n1.0\n3.483382 -6.033395 0.000000\n3.483382 6.033395 0.000000\n0.000000 0.000000 3.405148\nHf Re Si\n3 3 3\ndirect\n0.404598 0.404598 0.500000 Hf\n0.595402 0.000000 0.500000 Hf\n0.000000 0.595402 0.500000 Hf\n0.744014 0.744014 0.000000 Re\n0.255986 0.000000 0.000000 Re\n0.000000 0.255986 0.000000 Re\n0.666667 0.333333 0.000000 Si\n0.333333 0.666667 0.000000 Si\n0.000000 0.000000 0.500000 Si\n",
            "nsites": 9,
            "nelements": 3,
            "elements": [
                "Hf",
                "Re",
                "Si"
            ],
            "chemical_system": "Hf-Re-Si",
            "density": 13.67079061174822,
            "density_atomic": 0.06288016298553391,
            "volume": 143.12939999965528,
            "volume_molar": 9.577171041025201,
            "formula_full": "Hf3 Re3 Si3",
            "formula_reduced": "HfReSi",
            "formula_anonymous": "ABC",
            "energy": -90.38079082000002,
            "energy_per_atom": -10.042310091111112,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -90.59379082,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0053491,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:34.818000Z",
            "spacegroup": 189
        },
        {
            "id": "mp-760080",
            "created_at": "2022-09-04T14:42:19.039740Z",
            "structure_string": "Ce1 Th9 O20\n1.0\n6.864090 0.000000 0.000000\n-2.286807 7.586671 0.000000\n-1.144569 -2.414430 8.446897\nCe Th O\n1 9 20\ndirect\n0.000000 0.500000 0.000000 Ce\n0.199498 0.899111 0.398919 Th\n0.199488 0.400047 0.398882 Th\n0.599749 0.699222 0.199384 Th\n0.601140 0.200747 0.199679 Th\n0.000000 0.000000 0.000000 Th\n0.800502 0.100889 0.601081 Th\n0.800512 0.599953 0.601118 Th\n0.400251 0.300778 0.800616 Th\n0.398860 0.799253 0.800321 Th\n0.849860 0.324996 0.449854 O\n0.150140 0.675004 0.550146 O\n0.150057 0.175111 0.550183 O\n0.849943 0.824889 0.449817 O\n0.549767 0.474990 0.349748 O\n0.549971 0.974816 0.349793 O\n0.247644 0.623632 0.247493 O\n0.950230 0.772343 0.148356 O\n0.249499 0.124960 0.249726 O\n0.950352 0.277026 0.148544 O\n0.346871 0.574211 0.950575 O\n0.349669 0.075070 0.949892 O\n0.049770 0.227657 0.851644 O\n0.650331 0.924930 0.050108 O\n0.653129 0.425789 0.049425 O\n0.049648 0.722974 0.851456 O\n0.450233 0.525010 0.650252 O\n0.450029 0.025184 0.650207 O\n0.750501 0.875040 0.750274 O\n0.752356 0.376368 0.752507 O\n",
            "nsites": 30,
            "nelements": 3,
            "elements": [
                "Ce",
                "Th",
                "O"
            ],
            "chemical_system": "Ce-O-Th",
            "density": 9.620401697807075,
            "density_atomic": 0.06820085762359186,
            "volume": 439.87716643643023,
            "volume_molar": 8.830007377967103,
            "formula_full": "Ce1 Th9 O20",
            "formula_reduced": "CeTh9O20",
            "formula_anonymous": "AB9C20",
            "energy": -301.26585487,
            "energy_per_atom": -10.042195162333334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -287.52585487,
            "band_gap": 1.9639999999999995,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.96e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.207000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-581427",
            "created_at": "2022-09-04T14:44:55.148609Z",
            "structure_string": "Eu6 Re2 O14\n1.0\n3.832617 -5.505031 0.000000\n3.832617 5.505031 0.000000\n0.000000 0.000000 7.640037\nEu Re O\n6 2 14\ndirect\n0.488056 0.968440 0.750000 Eu\n0.000000 0.000000 0.500000 Eu\n0.031560 0.511944 0.250000 Eu\n0.968440 0.488056 0.750000 Eu\n0.511944 0.031560 0.250000 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.147783 0.878072 0.250000 O\n0.556710 0.799871 0.481586 O\n0.799871 0.556710 0.018414 O\n0.443290 0.200129 0.981586 O\n0.556710 0.799871 0.018414 O\n0.530185 0.530185 0.750000 O\n0.852217 0.121928 0.750000 O\n0.121928 0.852217 0.750000 O\n0.200129 0.443290 0.981586 O\n0.878072 0.147783 0.250000 O\n0.443290 0.200129 0.518414 O\n0.469815 0.469815 0.250000 O\n0.799871 0.556710 0.481586 O\n0.200129 0.443290 0.518414 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Eu",
                "Re",
                "O"
            ],
            "chemical_system": "Eu-O-Re",
            "density": 7.768271418282013,
            "density_atomic": 0.06824047368426414,
            "volume": 322.3893213547999,
            "volume_molar": 8.824881239633994,
            "formula_full": "Eu6 Re2 O14",
            "formula_reduced": "Eu3ReO7",
            "formula_anonymous": "AB3C7",
            "energy": -220.91036683,
            "energy_per_atom": -10.041380310454544,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -211.29236683,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.4072654,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:41.298000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-554636",
            "created_at": "2022-09-04T14:45:41.507461Z",
            "structure_string": "Gd16 B8 O24 F24\n1.0\n6.252088 0.000000 0.000000\n0.000000 8.391078 0.000000\n0.000000 0.992817 16.710914\nGd B O F\n16 8 24 24\ndirect\n0.147196 0.319804 0.809880 Gd\n0.139579 0.058237 0.325814 Gd\n0.868755 0.666798 0.430692 Gd\n0.631245 0.166798 0.430692 Gd\n0.368755 0.833202 0.569308 Gd\n0.144485 0.300475 0.055139 Gd\n0.852804 0.680196 0.190120 Gd\n0.360421 0.558237 0.325814 Gd\n0.639579 0.441763 0.674186 Gd\n0.131245 0.333202 0.569308 Gd\n0.355515 0.800475 0.055139 Gd\n0.855515 0.699525 0.944861 Gd\n0.352804 0.819804 0.809880 Gd\n0.860421 0.941763 0.674186 Gd\n0.644485 0.199525 0.944861 Gd\n0.647196 0.180196 0.190120 Gd\n0.158536 0.040545 0.946859 B\n0.847973 0.401212 0.327913 B\n0.152027 0.598788 0.672087 B\n0.341464 0.540545 0.946859 B\n0.652027 0.901212 0.327913 B\n0.658536 0.459455 0.053141 B\n0.347973 0.098788 0.672087 B\n0.841464 0.959455 0.053141 B\n0.694292 0.437058 0.385015 O\n0.194292 0.062942 0.614985 O\n0.648130 0.614672 0.076938 O\n0.856551 0.244987 0.305201 O\n0.356551 0.255013 0.694799 O\n0.805708 0.937058 0.385015 O\n0.695989 0.928837 0.991961 O\n0.305708 0.562942 0.614985 O\n0.195989 0.571163 0.008039 O\n0.012538 0.478425 0.696450 O\n0.804011 0.428837 0.991961 O\n0.143449 0.755013 0.694799 O\n0.512538 0.021575 0.303550 O\n0.487462 0.978425 0.696450 O\n0.643449 0.744987 0.305201 O\n0.851870 0.114672 0.076938 O\n0.520546 0.336732 0.076877 O\n0.479454 0.663268 0.923123 O\n0.020546 0.163268 0.923123 O\n0.351870 0.385328 0.923062 O\n0.979454 0.836732 0.076877 O\n0.304011 0.071163 0.008039 O\n0.148130 0.885328 0.923062 O\n0.987462 0.521575 0.303550 O\n0.174251 0.509891 0.451343 F\n0.429111 0.094677 0.849720 F\n0.172225 0.784848 0.353372 F\n0.929111 0.405323 0.150280 F\n0.228626 0.678801 0.188132 F\n0.271374 0.178801 0.188132 F\n0.728626 0.821199 0.811868 F\n0.429381 0.541835 0.770954 F\n0.523791 0.703524 0.467108 F\n0.070889 0.594677 0.849720 F\n0.827775 0.215152 0.646628 F\n0.570889 0.905323 0.150280 F\n0.672225 0.715152 0.646628 F\n0.570619 0.458165 0.229046 F\n0.476209 0.296476 0.532892 F\n0.327775 0.284848 0.353372 F\n0.976209 0.203524 0.467108 F\n0.023791 0.796476 0.532892 F\n0.929381 0.958165 0.229046 F\n0.325749 0.009891 0.451343 F\n0.825749 0.490109 0.548657 F\n0.070619 0.041835 0.770954 F\n0.771374 0.321199 0.811868 F\n0.674251 0.990109 0.548657 F\n",
            "nsites": 72,
            "nelements": 4,
            "elements": [
                "Gd",
                "B",
                "O",
                "F"
            ],
            "chemical_system": "B-F-Gd-O",
            "density": 6.5203639334982615,
            "density_atomic": 0.08212766054993999,
            "volume": 876.6839274110141,
            "volume_molar": 7.332658351248263,
            "formula_full": "Gd16 B8 O24 F24",
            "formula_reduced": "Gd2B(OF)3",
            "formula_anonymous": "AB2C3D3",
            "energy": -722.97612478,
            "energy_per_atom": -10.04133506638889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -695.40012478,
            "band_gap": 2.7369,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 112.0000005,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:14.903000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-770481",
            "created_at": "2022-09-04T14:47:19.105450Z",
            "structure_string": "Ta9 P1 O25\n1.0\n-7.868631 7.868631 1.939756\n7.868631 -7.868631 1.939756\n7.868631 7.868631 -1.939756\nTa P O\n9 1 25\ndirect\n0.000000 0.000000 0.000000 Ta\n0.106365 0.779715 0.884961 Ta\n0.887838 0.676016 0.555750 Ta\n0.667912 0.112162 0.788178 Ta\n0.220285 0.105245 0.326650 Ta\n0.778595 0.893635 0.673350 Ta\n0.323984 0.879734 0.211822 Ta\n0.120266 0.332088 0.444250 Ta\n0.894755 0.221405 0.115039 Ta\n0.750000 0.250000 0.500000 P\n0.500000 0.500000 0.000000 O\n0.049404 0.881247 0.934930 O\n0.823085 0.778605 0.606790 O\n0.614539 0.248086 0.859674 O\n0.994378 0.723465 0.709809 O\n0.783705 0.176915 0.955521 O\n0.351149 0.152901 0.510700 O\n0.159552 0.648851 0.801752 O\n0.751914 0.611588 0.366453 O\n0.584723 0.096470 0.616569 O\n0.903530 0.520099 0.488253 O\n0.118753 0.053682 0.168157 O\n0.715432 0.005622 0.729088 O\n0.276535 0.986344 0.270912 O\n0.885525 0.950596 0.831843 O\n0.031846 0.415277 0.511747 O\n0.479901 0.968154 0.383431 O\n0.245134 0.385461 0.633547 O\n0.847099 0.357799 0.198248 O\n0.642201 0.840448 0.489300 O\n0.221395 0.828185 0.044479 O\n0.013656 0.284568 0.290191 O\n0.388412 0.754866 0.140326 O\n0.171815 0.216295 0.393210 O\n0.946318 0.114475 0.065070 O\n",
            "nsites": 35,
            "nelements": 3,
            "elements": [
                "Ta",
                "P",
                "O"
            ],
            "chemical_system": "O-P-Ta",
            "density": 7.118742169449771,
            "density_atomic": 0.07285554144226224,
            "volume": 480.4027162125667,
            "volume_molar": 8.265865081481175,
            "formula_full": "Ta9 P1 O25",
            "formula_reduced": "Ta9PO25",
            "formula_anonymous": "AB9C25",
            "energy": -351.44217814,
            "energy_per_atom": -10.041205089714285,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -334.26717814,
            "band_gap": 2.7033,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0011294,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:06.714000Z",
            "spacegroup": 82
        },
        {
            "id": "mp-753676",
            "created_at": "2022-09-04T14:48:10.709256Z",
            "structure_string": "Ta4 Ti2 O12\n1.0\n3.423848 4.572327 0.000000\n-3.423848 4.572327 0.000000\n0.000000 3.080130 6.807173\nTa Ti O\n4 2 12\ndirect\n0.828805 0.828805 0.671457 Ta\n0.821418 0.821418 0.173192 Ta\n0.171195 0.171195 0.328543 Ta\n0.178582 0.178582 0.826808 Ta\n0.500000 0.500000 0.500000 Ti\n0.500000 0.500000 0.000000 Ti\n0.124770 0.532141 0.171531 O\n0.806435 0.193565 0.500000 O\n0.398261 0.398261 0.805102 O\n0.738837 0.738837 0.466445 O\n0.065659 0.065659 0.129222 O\n0.261163 0.261163 0.533555 O\n0.601739 0.601739 0.194898 O\n0.934341 0.934341 0.870778 O\n0.875230 0.467859 0.828469 O\n0.193565 0.806435 0.500000 O\n0.532141 0.124770 0.171531 O\n0.467859 0.875230 0.828469 O\n",
            "nsites": 18,
            "nelements": 3,
            "elements": [
                "Ta",
                "Ti",
                "O"
            ],
            "chemical_system": "O-Ta-Ti",
            "density": 7.880872621870206,
            "density_atomic": 0.08445472709034145,
            "volume": 213.1319420492041,
            "volume_molar": 7.130614197069278,
            "formula_full": "Ta4 Ti2 O12",
            "formula_reduced": "Ta2TiO6",
            "formula_anonymous": "AB2C6",
            "energy": -180.73741087,
            "energy_per_atom": -10.040967270555555,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -172.49341087,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.3565854,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:24.914000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-705743",
            "created_at": "2022-09-04T14:42:58.799889Z",
            "structure_string": "Ta16 Mn8 O48\n1.0\n17.514721 4.815532 0.000000\n-17.514721 4.815532 0.000000\n0.000000 0.085160 5.189395\nTa Mn O\n16 8 48\ndirect\n0.882650 0.607305 0.244148 Ta\n0.057389 0.942611 0.250000 Ta\n0.224747 0.282203 0.244442 Ta\n0.392695 0.117350 0.255852 Ta\n0.560466 0.947663 0.257757 Ta\n0.717797 0.775253 0.255558 Ta\n0.723139 0.276861 0.250000 Ta\n0.052337 0.439534 0.242243 Ta\n0.282203 0.224747 0.744442 Ta\n0.607305 0.882650 0.744148 Ta\n0.775253 0.717797 0.755558 Ta\n0.942611 0.057389 0.750000 Ta\n0.947663 0.560466 0.757757 Ta\n0.117350 0.392695 0.755852 Ta\n0.276861 0.723139 0.750000 Ta\n0.439534 0.052337 0.742243 Ta\n0.556373 0.443627 0.250000 Mn\n0.389248 0.610752 0.250000 Mn\n0.885396 0.114604 0.250000 Mn\n0.220673 0.779327 0.250000 Mn\n0.114604 0.885396 0.750000 Mn\n0.443627 0.556373 0.750000 Mn\n0.610752 0.389248 0.750000 Mn\n0.779327 0.220673 0.750000 Mn\n0.364416 0.330682 0.063763 O\n0.699866 0.002498 0.061799 O\n0.482567 0.273986 0.098606 O\n0.044115 0.673989 0.061064 O\n0.893232 0.849124 0.081626 O\n0.986602 0.781727 0.109237 O\n0.827322 0.948297 0.075632 O\n0.207606 0.505408 0.070849 O\n0.311842 0.437407 0.099287 O\n0.161063 0.615496 0.076749 O\n0.555436 0.179337 0.084130 O\n0.647843 0.112277 0.116835 O\n0.218273 0.013398 0.390763 O\n0.562593 0.688158 0.400713 O\n0.887723 0.352157 0.383165 O\n0.150876 0.106768 0.418374 O\n0.726014 0.517433 0.401394 O\n0.494592 0.792394 0.429151 O\n0.051703 0.172678 0.424368 O\n0.820663 0.444564 0.415870 O\n0.669318 0.635584 0.436237 O\n0.384504 0.838937 0.423251 O\n0.997502 0.300134 0.438201 O\n0.326011 0.955885 0.438936 O\n0.002498 0.699866 0.561799 O\n0.330682 0.364416 0.563763 O\n0.948297 0.827322 0.575632 O\n0.673989 0.044115 0.561064 O\n0.505408 0.207606 0.570849 O\n0.273986 0.482567 0.598606 O\n0.849124 0.893232 0.581626 O\n0.615496 0.161063 0.576749 O\n0.179337 0.555436 0.584130 O\n0.437407 0.311842 0.599287 O\n0.781727 0.986602 0.609237 O\n0.112277 0.647843 0.616835 O\n0.688158 0.562593 0.900713 O\n0.792394 0.494592 0.929151 O\n0.172678 0.051703 0.924368 O\n0.013398 0.218273 0.890763 O\n0.106768 0.150876 0.918374 O\n0.517433 0.726014 0.901394 O\n0.352157 0.887723 0.883165 O\n0.444564 0.820663 0.915870 O\n0.300134 0.997502 0.938201 O\n0.838937 0.384504 0.923251 O\n0.635584 0.669318 0.936237 O\n0.955885 0.326011 0.938936 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Ta",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-O-Ta",
            "density": 7.782487997469437,
            "density_atomic": 0.08225044852802892,
            "volume": 875.3751655890871,
            "volume_molar": 7.321711756924709,
            "formula_full": "Ta16 Mn8 O48",
            "formula_reduced": "Ta2MnO6",
            "formula_anonymous": "AB2C6",
            "energy": -722.9375930900001,
            "energy_per_atom": -10.040799904027779,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -676.61759309,
            "band_gap": 1.8626,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 40.0010756,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:57.440000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-28530",
            "created_at": "2022-09-04T14:41:52.395797Z",
            "structure_string": "K2 Ta15 O32\n1.0\n12.273436 -3.936287 0.000000\n12.273436 3.936287 0.000000\n11.011006 0.000000 6.699950\nK Ta O\n2 15 32\ndirect\n0.859462 0.859462 0.859462 K\n0.140538 0.140538 0.140538 K\n0.500000 0.500000 0.500000 Ta\n0.298249 0.974521 0.429304 Ta\n0.429304 0.298249 0.974521 Ta\n0.974521 0.429304 0.298249 Ta\n0.701751 0.025479 0.570696 Ta\n0.570696 0.701751 0.025479 Ta\n0.025479 0.570696 0.701751 Ta\n0.185724 0.771254 0.946554 Ta\n0.946554 0.185724 0.771254 Ta\n0.771254 0.946554 0.185724 Ta\n0.814276 0.228746 0.053446 Ta\n0.053446 0.814276 0.228746 Ta\n0.228746 0.053446 0.814276 Ta\n0.637346 0.637346 0.637346 Ta\n0.362654 0.362654 0.362654 Ta\n0.324674 0.737573 0.534394 O\n0.534394 0.324674 0.737573 O\n0.737573 0.534394 0.324674 O\n0.675326 0.262427 0.465606 O\n0.465606 0.675326 0.262427 O\n0.262427 0.465606 0.675326 O\n0.032247 0.151277 0.445114 O\n0.445114 0.032247 0.151277 O\n0.151277 0.445114 0.032247 O\n0.967753 0.848723 0.554886 O\n0.554886 0.967753 0.848723 O\n0.848723 0.554886 0.967753 O\n0.263163 0.263163 0.263163 O\n0.736837 0.736837 0.736837 O\n0.140422 0.960252 0.700675 O\n0.700675 0.140422 0.960252 O\n0.960252 0.700675 0.140422 O\n0.169442 0.259612 0.570829 O\n0.259612 0.570829 0.169442 O\n0.570829 0.169442 0.259612 O\n0.830558 0.740388 0.429171 O\n0.740388 0.429171 0.830558 O\n0.429171 0.830558 0.740388 O\n0.457838 0.154759 0.571072 O\n0.154759 0.571072 0.457838 O\n0.571072 0.457838 0.154759 O\n0.542162 0.845241 0.428928 O\n0.845241 0.428928 0.542162 O\n0.428928 0.542162 0.845241 O\n0.039748 0.299325 0.859578 O\n0.299325 0.859578 0.039748 O\n0.859578 0.039748 0.299325 O\n",
            "nsites": 49,
            "nelements": 3,
            "elements": [
                "K",
                "Ta",
                "O"
            ],
            "chemical_system": "K-O-Ta",
            "density": 8.475916255242234,
            "density_atomic": 0.07569054014166259,
            "volume": 647.3728408899116,
            "volume_molar": 7.956266065388023,
            "formula_full": "K2 Ta15 O32",
            "formula_reduced": "K2Ta15O32",
            "formula_anonymous": "A2B15C32",
            "energy": -491.9859747599999,
            "energy_per_atom": -10.040530097142856,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -470.00197476,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.00503,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:27.281000Z",
            "spacegroup": 148
        },
        {
            "id": "mp-34475",
            "created_at": "2022-09-04T14:40:40.986105Z",
            "structure_string": "Ta8 Mn4 O24\n1.0\n4.793827 0.000000 0.000000\n0.000000 5.200697 0.000000\n0.000000 0.000000 17.416589\nTa Mn O\n8 4 24\ndirect\n0.000000 0.250000 0.218596 Ta\n0.000000 0.250000 0.553984 Ta\n0.500000 0.750000 0.281404 Ta\n0.500000 0.750000 0.946016 Ta\n0.500000 0.250000 0.053984 Ta\n0.500000 0.250000 0.718596 Ta\n0.000000 0.750000 0.446016 Ta\n0.000000 0.750000 0.781404 Ta\n0.000000 0.250000 0.892793 Mn\n0.500000 0.750000 0.607207 Mn\n0.500000 0.250000 0.392793 Mn\n0.000000 0.750000 0.107207 Mn\n0.230586 0.108392 0.128394 O\n0.214633 0.067214 0.465434 O\n0.238072 0.072881 0.787347 O\n0.261928 0.072881 0.287347 O\n0.269414 0.108392 0.628394 O\n0.285367 0.067214 0.965434 O\n0.238072 0.572881 0.212653 O\n0.214633 0.567214 0.534566 O\n0.230586 0.608392 0.871606 O\n0.285367 0.567214 0.034566 O\n0.269414 0.608392 0.371606 O\n0.261928 0.572881 0.712653 O\n0.738072 0.427119 0.287347 O\n0.730586 0.391608 0.628394 O\n0.714633 0.432786 0.965434 O\n0.769414 0.391608 0.128394 O\n0.785367 0.432786 0.465434 O\n0.761928 0.427119 0.787347 O\n0.714633 0.932786 0.034566 O\n0.730586 0.891608 0.371606 O\n0.738072 0.927119 0.712653 O\n0.761928 0.927119 0.212653 O\n0.785367 0.932786 0.534566 O\n0.769414 0.891608 0.871606 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ta",
                "Mn",
                "O"
            ],
            "chemical_system": "Mn-O-Ta",
            "density": 7.844687955573806,
            "density_atomic": 0.08290781856884008,
            "volume": 434.21718990360904,
            "volume_molar": 7.263658438919958,
            "formula_full": "Ta8 Mn4 O24",
            "formula_reduced": "Ta2MnO6",
            "formula_anonymous": "AB2C6",
            "energy": -361.44066984,
            "energy_per_atom": -10.040018606666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -338.28066984,
            "band_gap": 1.6212999999999995,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0002337,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:06.156000Z",
            "spacegroup": 60
        },
        {
            "id": "mp-21512",
            "created_at": "2022-09-04T14:45:09.665953Z",
            "structure_string": "Ta8 Cr4 O24\n1.0\n4.850584 0.000029 -0.000011\n0.000058 9.701049 -0.000031\n-0.000021 -0.000030 9.222658\nTa Cr O\n8 4 24\ndirect\n0.500070 0.250004 0.167505 Ta\n0.500096 0.750029 0.167501 Ta\n0.000079 0.999969 0.667484 Ta\n0.000095 0.500003 0.667485 Ta\n0.500074 0.250005 0.832492 Ta\n0.500089 0.750025 0.832497 Ta\n0.000079 0.999964 0.332519 Ta\n0.000088 0.500003 0.332513 Ta\n0.499892 0.750149 0.499994 Cr\n0.999775 0.499819 0.999996 Cr\n0.499561 0.250279 0.500002 Cr\n0.999577 0.999729 0.000029 Cr\n0.316319 0.158128 0.000000 O\n0.316360 0.658150 0.999999 O\n0.183749 0.408177 0.499999 O\n0.183728 0.908110 0.500000 O\n0.816305 0.091847 0.499998 O\n0.816325 0.591906 0.499999 O\n0.683696 0.341845 0.000000 O\n0.683732 0.841842 0.999999 O\n0.296231 0.148093 0.323538 O\n0.296198 0.648111 0.323549 O\n0.203851 0.398127 0.823530 O\n0.203794 0.898104 0.823567 O\n0.796212 0.101876 0.823526 O\n0.796214 0.601923 0.823509 O\n0.796218 0.101874 0.176466 O\n0.796213 0.601924 0.176494 O\n0.203848 0.398130 0.176465 O\n0.203801 0.898098 0.176440 O\n0.703819 0.351898 0.323573 O\n0.703843 0.851883 0.323564 O\n0.296230 0.148094 0.676456 O\n0.296185 0.648106 0.676461 O\n0.703819 0.351898 0.676427 O\n0.703833 0.851877 0.676424 O\n",
            "nsites": 36,
            "nelements": 3,
            "elements": [
                "Ta",
                "Cr",
                "O"
            ],
            "chemical_system": "Cr-O-Ta",
            "density": 7.803964212750254,
            "density_atomic": 0.08295330018440329,
            "volume": 433.97911740669537,
            "volume_molar": 7.2596759220102385,
            "formula_full": "Ta8 Cr4 O24",
            "formula_reduced": "Ta2CrO6",
            "formula_anonymous": "AB2C6",
            "energy": -361.42732873,
            "energy_per_atom": -10.039648020277777,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -336.94332873,
            "band_gap": 0.2104000000000008,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:53.074000Z",
            "spacegroup": 136
        },
        {
            "id": "mp-28653",
            "created_at": "2022-09-04T14:41:15.240987Z",
            "structure_string": "Nd2 Ta6 O18\n1.0\n7.612965 0.000000 0.000000\n0.000000 5.439751 0.000000\n0.000000 0.351333 8.301220\nNd Ta O\n2 6 18\ndirect\n0.750000 0.034529 0.565466 Nd\n0.250000 0.965471 0.434534 Nd\n0.493249 0.526751 0.698252 Ta\n0.993249 0.473249 0.301748 Ta\n0.500000 0.000000 0.000000 Ta\n0.000000 0.000000 0.000000 Ta\n0.006751 0.526751 0.698252 Ta\n0.506751 0.473249 0.301748 Ta\n0.750000 0.439396 0.686749 O\n0.250000 0.560604 0.313251 O\n0.750000 0.083521 0.017632 O\n0.250000 0.916479 0.982368 O\n0.250000 0.647946 0.661006 O\n0.750000 0.352054 0.338994 O\n0.037899 0.264781 0.532671 O\n0.537899 0.735219 0.467329 O\n0.557024 0.845083 0.787380 O\n0.057024 0.154917 0.212620 O\n0.442976 0.154917 0.212620 O\n0.942976 0.845083 0.787380 O\n0.046986 0.318053 0.877502 O\n0.546986 0.681947 0.122498 O\n0.953014 0.681947 0.122498 O\n0.453014 0.318053 0.877502 O\n0.462101 0.264781 0.532671 O\n0.962101 0.735219 0.467329 O\n",
            "nsites": 26,
            "nelements": 3,
            "elements": [
                "Nd",
                "Ta",
                "O"
            ],
            "chemical_system": "Nd-O-Ta",
            "density": 8.028737743856457,
            "density_atomic": 0.07563077842632664,
            "volume": 343.77538537868,
            "volume_molar": 7.962552925283298,
            "formula_full": "Nd2 Ta6 O18",
            "formula_reduced": "NdTa3O9",
            "formula_anonymous": "AB3C9",
            "energy": -261.00167889,
            "energy_per_atom": -10.038526111153846,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -248.63567889,
            "band_gap": 3.2129000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0015702,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:19.449000Z",
            "spacegroup": 11
        }
    ]
}