GET /third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10396
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_uncorrected&page=10397",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10395",
    "results": [
        {
            "id": "mp-1198592",
            "created_at": "2022-09-04T14:42:09.461787Z",
            "structure_string": "B12 H12 O24\n1.0\n8.873701 0.000000 0.000000\n0.000000 6.925937 0.000000\n0.000000 0.106269 7.459933\nB H O\n12 12 24\ndirect\n0.788163 0.524618 0.241913 B\n0.288163 0.475382 0.258087 B\n0.211837 0.475382 0.758087 B\n0.711837 0.524618 0.741913 B\n0.836722 0.833189 0.101200 B\n0.336722 0.166811 0.398800 B\n0.163278 0.166811 0.898800 B\n0.663278 0.833189 0.601200 B\n0.043807 0.671094 0.269707 B\n0.543807 0.328906 0.230293 B\n0.956193 0.328906 0.730293 B\n0.456193 0.671094 0.769707 B\n0.137715 0.860389 0.474704 H\n0.637715 0.139611 0.025296 H\n0.862285 0.139611 0.525296 H\n0.362285 0.860389 0.974704 H\n0.871348 0.066722 0.954119 H\n0.371348 0.933278 0.545881 H\n0.128652 0.933278 0.045881 H\n0.628652 0.066722 0.454119 H\n0.049557 0.667967 0.561306 H\n0.549557 0.332033 0.938694 H\n0.950443 0.332033 0.438694 H\n0.450443 0.667967 0.061306 H\n0.694168 0.377035 0.286062 O\n0.194168 0.622965 0.213938 O\n0.305832 0.622965 0.713938 O\n0.805832 0.377035 0.786062 O\n0.938126 0.509644 0.293387 O\n0.438126 0.490356 0.206613 O\n0.061874 0.490356 0.706613 O\n0.561874 0.509644 0.793387 O\n0.737831 0.686889 0.148367 O\n0.237831 0.313111 0.351633 O\n0.262169 0.313111 0.851633 O\n0.762169 0.686889 0.648367 O\n0.986846 0.820728 0.147198 O\n0.486846 0.179272 0.352802 O\n0.013154 0.179272 0.852802 O\n0.513154 0.820728 0.647198 O\n0.784866 0.988090 0.001998 O\n0.284866 0.011910 0.498002 O\n0.215134 0.011910 0.998002 O\n0.715134 0.988090 0.501998 O\n0.052008 0.766170 0.458475 O\n0.552008 0.233830 0.041525 O\n0.947992 0.233830 0.541525 O\n0.447992 0.766170 0.958475 O\n",
            "nsites": 48,
            "nelements": 3,
            "elements": [
                "B",
                "H",
                "O"
            ],
            "chemical_system": "B-H-O",
            "density": 1.9044170578980093,
            "density_atomic": 0.10469428676486017,
            "volume": 458.4777401254605,
            "volume_molar": 5.7521197632546315,
            "formula_full": "B12 H12 O24",
            "formula_reduced": "BHO2",
            "formula_anonymous": "ABC2",
            "energy": -348.03588581,
            "energy_per_atom": -7.2507476210416675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.54788581,
            "band_gap": 6.2786,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0019881,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:39.842000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1042799",
            "created_at": "2022-09-04T14:41:36.763292Z",
            "structure_string": "Mg8 Ni8 Bi8 O40\n1.0\n5.254923 0.000000 0.000000\n0.000000 10.042160 0.000000\n0.000000 0.000000 14.963187\nMg Ni Bi O\n8 8 8 40\ndirect\n0.517702 0.371886 0.561411 Mg\n0.017702 0.128114 0.561411 Mg\n0.017702 0.628114 0.938589 Mg\n0.982298 0.371886 0.061411 Mg\n0.482298 0.128114 0.061411 Mg\n0.982298 0.871886 0.438589 Mg\n0.482298 0.628114 0.438589 Mg\n0.517702 0.871886 0.938589 Mg\n0.038360 0.402628 0.425937 Ni\n0.461640 0.902628 0.574063 Ni\n0.961640 0.597372 0.574063 Ni\n0.538360 0.097372 0.425937 Ni\n0.961640 0.097372 0.925937 Ni\n0.038360 0.902628 0.074063 Ni\n0.461640 0.402628 0.925937 Ni\n0.538360 0.597372 0.074063 Ni\n0.989953 0.856608 0.749366 Bi\n0.010047 0.143392 0.250634 Bi\n0.510047 0.356608 0.250634 Bi\n0.010047 0.643392 0.249366 Bi\n0.489953 0.143392 0.750634 Bi\n0.489953 0.643392 0.749366 Bi\n0.510047 0.856608 0.249366 Bi\n0.989953 0.356608 0.750634 Bi\n0.854360 0.314689 0.325289 O\n0.251492 0.014562 0.975318 O\n0.248508 0.514562 0.024682 O\n0.304069 0.796654 0.833487 O\n0.195931 0.296654 0.166513 O\n0.854360 0.814689 0.174711 O\n0.195931 0.796654 0.333487 O\n0.645640 0.814689 0.674711 O\n0.251492 0.514562 0.524682 O\n0.145640 0.685311 0.674711 O\n0.645640 0.314689 0.825289 O\n0.708640 0.224115 0.490512 O\n0.751492 0.985438 0.524682 O\n0.695931 0.703346 0.333487 O\n0.253747 0.001477 0.164384 O\n0.751492 0.485438 0.975318 O\n0.145640 0.185311 0.825289 O\n0.804069 0.203346 0.666513 O\n0.208640 0.775885 0.009488 O\n0.248508 0.014562 0.475318 O\n0.291360 0.775885 0.509488 O\n0.746253 0.998523 0.835616 O\n0.695931 0.203346 0.166513 O\n0.753747 0.998523 0.335616 O\n0.291360 0.275885 0.990512 O\n0.208640 0.275885 0.490512 O\n0.748508 0.485438 0.475318 O\n0.748508 0.985438 0.024682 O\n0.753747 0.498523 0.164384 O\n0.791360 0.724115 0.509488 O\n0.791360 0.224115 0.990512 O\n0.708640 0.724115 0.009488 O\n0.746253 0.498523 0.664384 O\n0.804069 0.703346 0.833487 O\n0.304069 0.296654 0.666513 O\n0.253747 0.501477 0.335616 O\n0.246253 0.501477 0.835616 O\n0.354360 0.185311 0.325289 O\n0.246253 0.001477 0.664384 O\n0.354360 0.685311 0.174711 O\n",
            "nsites": 64,
            "nelements": 4,
            "elements": [
                "Mg",
                "Ni",
                "Bi",
                "O"
            ],
            "chemical_system": "Bi-Mg-Ni-O",
            "density": 6.258008865721755,
            "density_atomic": 0.08105174644098467,
            "volume": 789.6190126711165,
            "volume_molar": 7.429995064183886,
            "formula_full": "Mg8 Ni8 Bi8 O40",
            "formula_reduced": "MgNiBiO5",
            "formula_anonymous": "ABCD5",
            "energy": -379.37809599,
            "energy_per_atom": -5.92778274984375,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.57009599,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 25.6673819,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:30.780000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-753865",
            "created_at": "2022-09-04T14:46:31.611644Z",
            "structure_string": "Li4 V4 P8 H4 O28\n1.0\n6.541981 -0.061177 0.025268\n-0.724779 3.730730 5.411575\n0.392679 -11.242688 5.579968\nLi V P H O\n4 4 8 4 28\ndirect\n0.119744 0.686997 0.425302 Li\n0.119732 0.186978 0.925312 Li\n0.880309 0.812990 0.074725 Li\n0.880143 0.312964 0.574676 Li\n0.350779 0.739168 0.641203 V\n0.649319 0.260881 0.358787 V\n0.350579 0.239155 0.141201 V\n0.649641 0.760879 0.858751 V\n0.154653 0.156460 0.383045 P\n0.154879 0.656423 0.883058 P\n0.845213 0.343543 0.116952 P\n0.845304 0.843558 0.616935 P\n0.390362 0.728617 0.089981 P\n0.390285 0.228678 0.589943 P\n0.609631 0.771390 0.410034 P\n0.609654 0.271319 0.910043 P\n0.172283 0.905329 0.248883 H\n0.172345 0.405349 0.748870 H\n0.827630 0.594671 0.251117 H\n0.827668 0.094640 0.751132 H\n0.094509 0.929996 0.324633 O\n0.094641 0.429983 0.824638 O\n0.905397 0.569996 0.175367 O\n0.905390 0.070023 0.675372 O\n0.029913 0.222759 0.088914 O\n0.030036 0.722858 0.588883 O\n0.969933 0.277177 0.411097 O\n0.970201 0.777237 0.911104 O\n0.237613 0.110413 0.493085 O\n0.237806 0.610298 0.993083 O\n0.762265 0.389635 0.006926 O\n0.762247 0.889622 0.506931 O\n0.271661 0.909158 0.142492 O\n0.271718 0.409269 0.642483 O\n0.728233 0.590829 0.357505 O\n0.728319 0.090751 0.857541 O\n0.324388 0.266183 0.318723 O\n0.324656 0.766064 0.818735 O\n0.675429 0.233889 0.181273 O\n0.675575 0.733833 0.681263 O\n0.401923 0.566418 0.161249 O\n0.402023 0.066460 0.661183 O\n0.597953 0.933676 0.338792 O\n0.598032 0.433516 0.838779 O\n0.408943 0.698434 0.466654 O\n0.408929 0.198363 0.966667 O\n0.591116 0.801547 0.033370 O\n0.590995 0.301614 0.533308 O\n",
            "nsites": 48,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-O-P-V",
            "density": 2.8961201946837987,
            "density_atomic": 0.08988821815185681,
            "volume": 533.9965680364137,
            "volume_molar": 6.699588537650418,
            "formula_full": "Li4 V4 P8 H4 O28",
            "formula_reduced": "LiVP2HO7",
            "formula_anonymous": "ABCD2E7",
            "energy": -357.60929738,
            "energy_per_atom": -7.450193695416666,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.57329738,
            "band_gap": 2.4174,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.11e-05,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:31.675000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-1195661",
            "created_at": "2022-09-04T14:42:57.736256Z",
            "structure_string": "Rb2 Na4 Fe6 P8 Cl2 O28\n1.0\n2.629922 10.560756 0.000000\n-2.629922 10.560756 0.000000\n0.000000 6.702108 12.178600\nRb Na Fe P Cl O\n2 4 6 8 2 28\ndirect\n0.500000 0.500000 0.000000 Rb\n0.500000 0.500000 0.500000 Rb\n0.247945 0.309945 0.150993 Na\n0.690055 0.752055 0.349007 Na\n0.752055 0.690055 0.849007 Na\n0.309945 0.247945 0.650993 Na\n0.664213 0.643525 0.157733 Fe\n0.356475 0.335787 0.342267 Fe\n0.335787 0.356475 0.842267 Fe\n0.643525 0.664213 0.657733 Fe\n0.939528 0.060472 0.250000 Fe\n0.060472 0.939528 0.750000 Fe\n0.178969 0.137214 0.007296 P\n0.862786 0.821031 0.492704 P\n0.821031 0.862786 0.992704 P\n0.137214 0.178969 0.507296 P\n0.871559 0.892363 0.172393 P\n0.107637 0.128441 0.327607 P\n0.128441 0.107637 0.827607 P\n0.892363 0.871559 0.672393 P\n0.461023 0.538977 0.250000 Cl\n0.538977 0.461023 0.750000 Cl\n0.954908 0.966345 0.147914 O\n0.033655 0.045092 0.352086 O\n0.045092 0.033655 0.852086 O\n0.966345 0.954908 0.647914 O\n0.067674 0.147056 0.950249 O\n0.852944 0.932326 0.549751 O\n0.932326 0.852944 0.049751 O\n0.147056 0.067674 0.450249 O\n0.882073 0.425941 0.289893 O\n0.574059 0.117927 0.210107 O\n0.117927 0.574059 0.710107 O\n0.425941 0.882073 0.789893 O\n0.987616 0.251596 0.114700 O\n0.748404 0.012384 0.385300 O\n0.012384 0.748404 0.885300 O\n0.251596 0.987616 0.614700 O\n0.465005 0.845435 0.026145 O\n0.154565 0.534995 0.473855 O\n0.534995 0.154565 0.973855 O\n0.845435 0.465005 0.526145 O\n0.040121 0.628629 0.245879 O\n0.371371 0.959879 0.254121 O\n0.959879 0.371371 0.754121 O\n0.628629 0.040121 0.745879 O\n0.846485 0.688266 0.073769 O\n0.311734 0.153515 0.426231 O\n0.153515 0.311734 0.926231 O\n0.688266 0.846485 0.573769 O\n",
            "nsites": 50,
            "nelements": 6,
            "elements": [
                "Rb",
                "Na",
                "Fe",
                "P",
                "Cl",
                "O"
            ],
            "chemical_system": "Cl-Fe-Na-O-P-Rb",
            "density": 3.3496792276981124,
            "density_atomic": 0.07391026602673961,
            "volume": 676.4960091188246,
            "volume_molar": 8.147908380983612,
            "formula_full": "Rb2 Na4 Fe6 P8 Cl2 O28",
            "formula_reduced": "RbNa2Fe3P4ClO14",
            "formula_anonymous": "ABC2D3E4F14",
            "energy": -365.58140406,
            "energy_per_atom": -7.3116280812,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.58140406,
            "band_gap": 3.8946,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0000662,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:59.616000Z",
            "spacegroup": 15
        },
        {
            "id": "mp-561237",
            "created_at": "2022-09-04T14:48:03.260308Z",
            "structure_string": "Li8 Ca8 B8 O24\n1.0\n6.127266 0.000000 0.000000\n0.000000 6.237534 0.000000\n0.000000 0.000000 13.344837\nLi Ca B O\n8 8 8 24\ndirect\n0.515594 0.209089 0.751985 Li\n0.484406 0.290911 0.251985 Li\n0.984406 0.709089 0.248015 Li\n0.015594 0.790911 0.748015 Li\n0.015594 0.290911 0.751985 Li\n0.484406 0.790911 0.248015 Li\n0.515594 0.709089 0.748015 Li\n0.984406 0.209089 0.251985 Li\n0.248902 0.509627 0.070268 Ca\n0.751098 0.990373 0.570268 Ca\n0.251098 0.009627 0.929732 Ca\n0.748902 0.990373 0.070268 Ca\n0.251098 0.509627 0.570268 Ca\n0.748902 0.490373 0.429732 Ca\n0.248902 0.009627 0.429732 Ca\n0.751098 0.490373 0.929732 Ca\n0.750072 0.482506 0.647823 B\n0.750072 0.982506 0.852177 B\n0.250072 0.017494 0.647823 B\n0.749928 0.482506 0.147823 B\n0.249928 0.017494 0.147823 B\n0.250072 0.517494 0.852177 B\n0.749928 0.982506 0.352177 B\n0.249928 0.517494 0.352177 B\n0.398286 0.144252 0.595161 O\n0.101714 0.644252 0.404839 O\n0.118066 0.373837 0.904773 O\n0.618066 0.626163 0.595227 O\n0.898286 0.855748 0.904839 O\n0.898286 0.355748 0.595161 O\n0.266270 0.534791 0.249149 O\n0.766270 0.965209 0.249149 O\n0.233730 0.034791 0.750851 O\n0.733730 0.465209 0.750851 O\n0.766270 0.465209 0.250851 O\n0.101714 0.144252 0.095161 O\n0.118066 0.873837 0.595227 O\n0.233730 0.534791 0.749149 O\n0.601714 0.855748 0.404839 O\n0.266270 0.034791 0.250851 O\n0.601714 0.355748 0.095161 O\n0.381934 0.373837 0.404773 O\n0.381934 0.873837 0.095227 O\n0.618066 0.126163 0.904773 O\n0.398286 0.644252 0.904839 O\n0.881934 0.126163 0.404773 O\n0.881934 0.626163 0.095227 O\n0.733730 0.965209 0.749149 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Li",
                "Ca",
                "B",
                "O"
            ],
            "chemical_system": "B-Ca-Li-O",
            "density": 2.756433756921279,
            "density_atomic": 0.0941127152433777,
            "volume": 510.02672567538684,
            "volume_molar": 6.398859861206428,
            "formula_full": "Li8 Ca8 B8 O24",
            "formula_reduced": "LiCaBO3",
            "formula_anonymous": "ABCD3",
            "energy": -348.07381106,
            "energy_per_atom": -7.2515377304166675,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.58581106,
            "band_gap": 5.040100000000001,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:25.697000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-1225302",
            "created_at": "2022-09-04T14:42:42.546703Z",
            "structure_string": "Fe10 P6 O34\n1.0\n2.610044 -6.872748 0.000000\n2.610044 6.872748 0.000000\n0.000000 0.000000 16.750123\nFe P O\n10 6 34\ndirect\n0.997599 0.997599 0.500000 Fe\n0.997599 0.997599 0.000000 Fe\n0.928806 0.073128 0.656648 Fe\n0.073128 0.928806 0.343352 Fe\n0.928806 0.073128 0.843352 Fe\n0.073128 0.928806 0.156648 Fe\n0.434044 0.088685 0.639371 Fe\n0.088685 0.434044 0.360629 Fe\n0.434044 0.088685 0.860629 Fe\n0.088685 0.434044 0.139371 Fe\n0.342349 0.646552 0.544073 P\n0.646552 0.342349 0.455927 P\n0.342349 0.646552 0.955927 P\n0.646552 0.342349 0.044073 P\n0.523604 0.488822 0.750000 P\n0.488822 0.523604 0.250000 P\n0.653000 0.826037 0.557890 O\n0.826037 0.653000 0.442110 O\n0.653000 0.826037 0.942110 O\n0.826037 0.653000 0.057890 O\n0.339916 0.160518 0.436625 O\n0.160518 0.339916 0.563375 O\n0.339916 0.160518 0.063375 O\n0.160518 0.339916 0.936625 O\n0.659511 0.288900 0.542433 O\n0.288900 0.659511 0.457567 O\n0.659511 0.288900 0.957567 O\n0.288900 0.659511 0.042433 O\n0.267927 0.736629 0.604687 O\n0.736629 0.267927 0.395313 O\n0.267927 0.736629 0.895313 O\n0.736629 0.267927 0.104687 O\n0.758731 0.178043 0.688900 O\n0.178043 0.758731 0.311100 O\n0.758731 0.178043 0.811100 O\n0.178043 0.758731 0.188900 O\n0.704436 0.800864 0.750000 O\n0.800864 0.704436 0.250000 O\n0.307981 0.208109 0.250000 O\n0.208109 0.307981 0.750000 O\n0.087948 0.967726 0.608799 O\n0.967726 0.087948 0.391201 O\n0.087948 0.967726 0.891201 O\n0.967726 0.087948 0.108799 O\n0.590597 0.441455 0.672464 O\n0.441455 0.590597 0.327536 O\n0.590597 0.441455 0.827536 O\n0.441455 0.590597 0.172464 O\n0.338957 0.961819 0.750000 O\n0.961819 0.338957 0.250000 O\n",
            "nsites": 50,
            "nelements": 3,
            "elements": [
                "Fe",
                "P",
                "O"
            ],
            "chemical_system": "Fe-O-P",
            "density": 3.5598399956077436,
            "density_atomic": 0.08320391455306574,
            "volume": 600.9332646015234,
            "volume_molar": 7.2378094135934,
            "formula_full": "Fe10 P6 O34",
            "formula_reduced": "Fe5P3O17",
            "formula_anonymous": "A3B5C17",
            "energy": -377.51006756,
            "energy_per_atom": -7.550201351199999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.59206756,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 42.0038014,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:54.256000Z",
            "spacegroup": 40
        },
        {
            "id": "mp-1046926",
            "created_at": "2022-09-04T14:45:07.663743Z",
            "structure_string": "Mg2 Ti6 P8 O28\n1.0\n7.391758 0.000000 0.000000\n0.000000 7.371164 0.000000\n0.000000 3.038247 9.181082\nMg Ti P O\n2 6 8 28\ndirect\n0.000000 0.500000 0.000000 Mg\n0.500000 0.500000 0.500000 Mg\n0.164406 0.826757 0.513234 Ti\n0.664406 0.173243 0.986766 Ti\n0.835594 0.173243 0.486766 Ti\n0.335594 0.826757 0.013234 Ti\n0.000000 0.000000 0.000000 Ti\n0.500000 0.000000 0.500000 Ti\n0.929459 0.433193 0.697256 P\n0.429459 0.566807 0.802744 P\n0.070541 0.566807 0.302744 P\n0.570541 0.433193 0.197256 P\n0.207140 0.142459 0.678573 P\n0.707140 0.857541 0.821427 P\n0.792860 0.857541 0.321427 P\n0.292860 0.142459 0.178573 P\n0.387704 0.202851 0.598332 O\n0.887704 0.797149 0.901668 O\n0.612296 0.797149 0.401668 O\n0.112296 0.202851 0.098332 O\n0.399023 0.653552 0.634761 O\n0.899023 0.346448 0.865239 O\n0.600977 0.346448 0.365239 O\n0.100977 0.653552 0.134761 O\n0.780564 0.376004 0.607620 O\n0.280564 0.623996 0.892380 O\n0.219436 0.623996 0.392380 O\n0.719436 0.376004 0.107620 O\n0.117690 0.343780 0.665629 O\n0.617690 0.656220 0.834371 O\n0.882310 0.656220 0.334371 O\n0.382310 0.343780 0.165629 O\n0.524961 0.643037 0.155279 O\n0.024961 0.356963 0.344721 O\n0.475039 0.356963 0.844721 O\n0.975039 0.643037 0.655279 O\n0.789136 0.963614 0.156495 O\n0.289136 0.036386 0.343505 O\n0.210864 0.036386 0.843505 O\n0.710864 0.963614 0.656495 O\n0.421210 0.041137 0.101891 O\n0.921210 0.958863 0.398109 O\n0.578790 0.958863 0.898109 O\n0.078790 0.041137 0.601891 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Mg",
                "Ti",
                "P",
                "O"
            ],
            "chemical_system": "Mg-O-P-Ti",
            "density": 3.4243374894036376,
            "density_atomic": 0.08795792923309058,
            "volume": 500.2391527817687,
            "volume_molar": 6.846614981170357,
            "formula_full": "Mg2 Ti6 P8 O28",
            "formula_reduced": "MgTi3(P2O7)2",
            "formula_anonymous": "AB3C4D14",
            "energy": -350.83189307,
            "energy_per_atom": -7.973452115227272,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.59589307,
            "band_gap": 0.0758,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.002554,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:49.229000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-556730",
            "created_at": "2022-09-04T14:48:16.711901Z",
            "structure_string": "Ca2 U2 Mo8 O32\n1.0\n6.748323 0.000000 0.000000\n0.000000 8.361701 0.000000\n0.000000 8.282364 11.645684\nCa U Mo O\n2 2 8 32\ndirect\n0.300179 0.500000 0.250000 Ca\n0.699821 0.500000 0.750000 Ca\n0.698735 0.000000 0.750000 U\n0.301265 0.000000 0.250000 U\n0.832740 0.798864 0.406916 Mo\n0.167260 0.201136 0.593084 Mo\n0.830619 0.301458 0.404039 Mo\n0.832740 0.201136 0.093084 Mo\n0.167260 0.798864 0.906916 Mo\n0.169381 0.698542 0.595961 Mo\n0.830619 0.698542 0.095961 Mo\n0.169381 0.301458 0.904039 Mo\n0.150552 0.184725 0.067937 O\n0.152926 0.093329 0.903447 O\n0.150552 0.815275 0.432063 O\n0.419995 0.635131 0.624383 O\n0.580005 0.364869 0.375617 O\n0.148325 0.314346 0.437162 O\n0.843761 0.594802 0.402517 O\n0.849448 0.184725 0.567937 O\n0.934172 0.500000 0.250000 O\n0.847074 0.906671 0.096553 O\n0.419995 0.364869 0.875617 O\n0.942480 0.000000 0.250000 O\n0.152926 0.906671 0.596553 O\n0.422268 0.872416 0.870790 O\n0.057520 0.000000 0.750000 O\n0.156239 0.405198 0.597483 O\n0.065828 0.500000 0.750000 O\n0.851675 0.685654 0.562838 O\n0.698948 0.783425 0.747258 O\n0.301052 0.783425 0.247258 O\n0.148325 0.685654 0.062838 O\n0.851675 0.314346 0.937162 O\n0.847074 0.093329 0.403447 O\n0.577732 0.127584 0.129210 O\n0.849448 0.815275 0.932063 O\n0.698948 0.216575 0.752742 O\n0.843761 0.405198 0.097483 O\n0.577732 0.872416 0.370790 O\n0.422268 0.127584 0.629210 O\n0.156239 0.594802 0.902517 O\n0.301052 0.216575 0.252742 O\n0.580005 0.635131 0.124383 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Ca",
                "U",
                "Mo",
                "O"
            ],
            "chemical_system": "Ca-Mo-O-U",
            "density": 4.638726502034017,
            "density_atomic": 0.06695718389441066,
            "volume": 657.1363585031681,
            "volume_molar": 8.994017385045233,
            "formula_full": "Ca2 U2 Mo8 O32",
            "formula_reduced": "CaU(MoO4)4",
            "formula_anonymous": "ABC4D16",
            "energy": -379.20055861,
            "energy_per_atom": -8.618194513863635,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.60055861,
            "band_gap": 2.0011,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0020355,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:47.573000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-675716",
            "created_at": "2022-09-04T14:45:03.756568Z",
            "structure_string": "Mg4 Zr10 O24\n1.0\n6.167204 0.000000 0.000000\n-0.965683 6.161128 0.000000\n-2.076732 -2.389521 12.156682\nMg Zr O\n4 10 24\ndirect\n0.404777 0.863988 0.090257 Mg\n0.861771 0.678766 0.453720 Mg\n0.138229 0.321234 0.546280 Mg\n0.595223 0.136012 0.909743 Mg\n0.990981 0.992994 0.251966 Zr\n0.321561 0.607741 0.819704 Zr\n0.382549 0.855000 0.588149 Zr\n0.009019 0.007006 0.748034 Zr\n0.862822 0.699053 0.949165 Zr\n0.304079 0.614548 0.320604 Zr\n0.137178 0.300947 0.050835 Zr\n0.678439 0.392259 0.180296 Zr\n0.695921 0.385452 0.679396 Zr\n0.617451 0.145000 0.411851 Zr\n0.331208 0.933437 0.789597 O\n0.064494 0.915214 0.089792 O\n0.316146 0.946831 0.308191 O\n0.573371 0.814874 0.959250 O\n0.057090 0.892368 0.590515 O\n0.914682 0.681574 0.784211 O\n0.579576 0.819191 0.457785 O\n0.173287 0.553651 0.953914 O\n0.418659 0.582936 0.159983 O\n0.913701 0.672836 0.279363 O\n0.184302 0.580841 0.460219 O\n0.581341 0.417064 0.840017 O\n0.440145 0.583528 0.662838 O\n0.826713 0.446349 0.046086 O\n0.085318 0.318426 0.215789 O\n0.559855 0.416472 0.337162 O\n0.815698 0.419159 0.539781 O\n0.426629 0.185126 0.040750 O\n0.086299 0.327164 0.720637 O\n0.935506 0.084786 0.910208 O\n0.420424 0.180809 0.542215 O\n0.668792 0.066563 0.210403 O\n0.942910 0.107632 0.409485 O\n0.683854 0.053169 0.691809 O\n",
            "nsites": 38,
            "nelements": 3,
            "elements": [
                "Mg",
                "Zr",
                "O"
            ],
            "chemical_system": "Mg-O-Zr",
            "density": 5.0092823756952205,
            "density_atomic": 0.08226592671942505,
            "volume": 461.9166344482113,
            "volume_molar": 7.320334189559456,
            "formula_full": "Mg4 Zr10 O24",
            "formula_reduced": "Mg2Zr5O12",
            "formula_anonymous": "A2B5C12",
            "energy": -348.09331451,
            "energy_per_atom": -9.160350381842106,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.6053145100001,
            "band_gap": 3.8874,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0031869,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:52.826000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-766894",
            "created_at": "2022-09-04T14:47:27.438581Z",
            "structure_string": "V8 Si8 O26\n1.0\n6.961064 0.000000 0.000000\n1.680245 7.647340 0.000000\n1.778687 3.534231 9.309492\nV Si O\n8 8 26\ndirect\n0.080395 0.198546 0.992137 V\n0.575785 0.196321 0.987454 V\n0.576587 0.555790 0.625726 V\n0.077260 0.551101 0.621878 V\n0.922740 0.448899 0.378122 V\n0.423413 0.444210 0.374274 V\n0.424215 0.803679 0.012546 V\n0.919605 0.801454 0.007863 V\n0.265695 0.589339 0.825784 Si\n0.728318 0.854849 0.717385 Si\n0.378164 0.152937 0.711350 Si\n0.932498 0.156940 0.709094 Si\n0.067502 0.843060 0.290906 Si\n0.621836 0.847063 0.288650 Si\n0.271682 0.145151 0.282615 Si\n0.734305 0.410661 0.174216 Si\n0.371471 0.109470 0.884804 O\n0.877544 0.103159 0.885290 O\n0.193723 0.725106 0.921553 O\n0.101968 0.448879 0.849234 O\n0.494828 0.468640 0.839809 O\n0.719038 0.769179 0.892560 O\n0.415908 0.365647 0.603011 O\n0.850457 0.374821 0.611827 O\n0.285883 0.697931 0.650010 O\n0.776872 0.699724 0.639859 O\n0.166104 0.144910 0.677180 O\n0.518604 0.985363 0.668121 O\n0.886590 0.000830 0.655960 O\n0.113410 0.999170 0.344040 O\n0.481396 0.014637 0.331879 O\n0.833896 0.855090 0.322820 O\n0.223128 0.300276 0.360141 O\n0.714117 0.302069 0.349990 O\n0.149543 0.625179 0.388173 O\n0.584092 0.634353 0.396989 O\n0.280962 0.230821 0.107440 O\n0.505172 0.531360 0.160191 O\n0.898032 0.551121 0.150766 O\n0.806277 0.274894 0.078447 O\n0.122456 0.896841 0.114710 O\n0.628529 0.890530 0.115196 O\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "V",
                "Si",
                "O"
            ],
            "chemical_system": "O-Si-V",
            "density": 3.512217556782465,
            "density_atomic": 0.0847495266733212,
            "volume": 495.5779890298954,
            "volume_molar": 7.105810494037538,
            "formula_full": "V8 Si8 O26",
            "formula_reduced": "V4Si4O13",
            "formula_anonymous": "A4B4C13",
            "energy": -363.07003087999993,
            "energy_per_atom": -8.644524544761904,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.60803088,
            "band_gap": 0.6473999999999993,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9997977,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:08.603000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-531343",
            "created_at": "2022-09-04T14:46:55.381233Z",
            "structure_string": "Zn12 Mo12 O32\n1.0\n5.742735 0.068871 9.767207\n2.711247 5.062893 9.767207\n0.226533 0.137511 22.659354\nZn Mo O\n12 12 32\ndirect\n0.000000 0.000000 0.000000 Zn\n0.179703 0.179703 0.089784 Zn\n0.308489 0.308489 0.154626 Zn\n0.000000 0.000000 0.500000 Zn\n0.499831 0.499831 0.249749 Zn\n0.179755 0.179755 0.589949 Zn\n0.309389 0.309389 0.654310 Zn\n0.690611 0.690611 0.345690 Zn\n0.820245 0.820245 0.410051 Zn\n0.500169 0.500169 0.750251 Zn\n0.691511 0.691511 0.845374 Zn\n0.820297 0.820297 0.910216 Zn\n0.270014 0.270014 0.353104 Mo\n0.269962 0.706057 0.135076 Mo\n0.706057 0.269962 0.135076 Mo\n0.293545 0.729530 0.364861 Mo\n0.729530 0.293545 0.364861 Mo\n0.729587 0.729587 0.146844 Mo\n0.270413 0.270413 0.853156 Mo\n0.270470 0.706455 0.635139 Mo\n0.706455 0.270470 0.635139 Mo\n0.293943 0.730038 0.864924 Mo\n0.730038 0.293943 0.864924 Mo\n0.729986 0.729986 0.646896 Mo\n0.116517 0.116517 0.058496 O\n0.106844 0.106844 0.323891 O\n0.106712 0.647703 0.053766 O\n0.647703 0.106712 0.053766 O\n0.369917 0.369917 0.185018 O\n0.116973 0.116973 0.558263 O\n0.144483 0.615676 0.307808 O\n0.615676 0.144483 0.307808 O\n0.615722 0.615722 0.072145 O\n0.384284 0.384284 0.427174 O\n0.384251 0.854537 0.192086 O\n0.854537 0.384251 0.192086 O\n0.107494 0.107494 0.823825 O\n0.107615 0.647745 0.553399 O\n0.647745 0.107615 0.553399 O\n0.629619 0.629619 0.314879 O\n0.370381 0.370381 0.685121 O\n0.352255 0.892385 0.446601 O\n0.892385 0.352255 0.446601 O\n0.892506 0.892506 0.176175 O\n0.145463 0.615749 0.807914 O\n0.615749 0.145463 0.807914 O\n0.615716 0.615716 0.572826 O\n0.384278 0.384278 0.927855 O\n0.384324 0.855517 0.692192 O\n0.855517 0.384324 0.692192 O\n0.883027 0.883027 0.441737 O\n0.630083 0.630083 0.814982 O\n0.352297 0.893288 0.946234 O\n0.893288 0.352297 0.946234 O\n0.893156 0.893156 0.676109 O\n0.883483 0.883483 0.941504 O\n",
            "nsites": 56,
            "nelements": 3,
            "elements": [
                "Zn",
                "Mo",
                "O"
            ],
            "chemical_system": "Mo-O-Zn",
            "density": 6.357314687910534,
            "density_atomic": 0.0875732122510838,
            "volume": 639.4649523582704,
            "volume_molar": 6.8766927753360685,
            "formula_full": "Zn12 Mo12 O32",
            "formula_reduced": "Zn3Mo3O8",
            "formula_anonymous": "A3B3C8",
            "energy": -392.0255346,
            "energy_per_atom": -7.000455975,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.6175346,
            "band_gap": 0.4096000000000002,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 24.0013919,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:48.275000Z",
            "spacegroup": 166
        },
        {
            "id": "mp-1198455",
            "created_at": "2022-09-04T14:47:11.981409Z",
            "structure_string": "Mn8 P8 H8 O24\n1.0\n-6.729614 0.000000 4.638078\n0.000000 -8.421645 0.000000\n6.714986 0.000000 5.887260\nMn P H O\n8 8 8 24\ndirect\n0.555118 0.131818 0.374551 Mn\n0.944882 0.631818 0.125449 Mn\n0.444882 0.868182 0.625449 Mn\n0.055118 0.368182 0.874551 Mn\n0.510428 0.711563 0.986570 Mn\n0.989572 0.211563 0.513430 Mn\n0.489572 0.288437 0.013430 Mn\n0.010428 0.788437 0.486570 Mn\n0.778001 0.988747 0.188030 P\n0.721999 0.488747 0.311970 P\n0.221999 0.011253 0.811970 P\n0.278001 0.511253 0.688030 P\n0.785299 0.650971 0.737710 P\n0.714701 0.150971 0.762290 P\n0.214701 0.349029 0.262290 P\n0.285299 0.849029 0.237710 P\n0.894391 0.073930 0.126487 H\n0.605609 0.573930 0.373513 H\n0.105609 0.926070 0.873513 H\n0.394391 0.426070 0.626487 H\n0.737652 0.513261 0.648341 H\n0.762348 0.013261 0.851659 H\n0.262348 0.486739 0.351659 H\n0.237652 0.986739 0.148341 H\n0.752921 0.824819 0.107939 O\n0.747079 0.324819 0.392061 O\n0.247079 0.175181 0.892061 O\n0.252921 0.675181 0.607939 O\n0.848921 0.982383 0.366272 O\n0.651079 0.482383 0.133728 O\n0.151079 0.017617 0.633728 O\n0.348921 0.517617 0.866272 O\n0.622867 0.716499 0.775674 O\n0.877133 0.216499 0.724326 O\n0.377133 0.283501 0.224326 O\n0.122867 0.783501 0.275674 O\n0.911600 0.591418 0.887104 O\n0.588400 0.091418 0.612896 O\n0.088400 0.408582 0.112896 O\n0.411600 0.908582 0.387104 O\n0.362160 0.731505 0.145628 O\n0.137840 0.231505 0.354372 O\n0.637840 0.268495 0.854372 O\n0.862160 0.768495 0.645628 O\n0.610617 0.082929 0.153575 O\n0.889383 0.582929 0.346425 O\n0.389383 0.917071 0.846425 O\n0.110617 0.417071 0.653575 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Mn",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Mn-O-P",
            "density": 3.0074738505120995,
            "density_atomic": 0.08054420306022882,
            "volume": 595.9460541698684,
            "volume_molar": 7.476814632453191,
            "formula_full": "Mn8 P8 H8 O24",
            "formula_reduced": "MnPHO3",
            "formula_anonymous": "ABCD3",
            "energy": -362.89342345,
            "energy_per_atom": -7.560279655208333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -331.62942345,
            "band_gap": 4.2461,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 39.9993539,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:55.569000Z",
            "spacegroup": 14
        }
    ]
}