GET /third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=11517
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=-formula_full&page=11518",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_full&page=11516",
    "results": [
        {
            "id": "mp-27649",
            "created_at": "2022-09-04T14:43:34.043313Z",
            "structure_string": "Ba2 U4 O14\n1.0\n-3.601555 3.601555 6.124931\n3.601555 -3.601555 6.124931\n3.601555 3.601555 -6.124931\nBa U O\n2 4 14\ndirect\n0.000000 0.000000 0.000000 Ba\n0.750000 0.250000 0.500000 Ba\n0.875000 0.625000 0.250000 U\n0.375000 0.625000 0.250000 U\n0.375000 0.125000 0.750000 U\n0.375000 0.625000 0.750000 U\n0.250000 0.750000 0.500000 O\n0.500000 0.500000 0.000000 O\n0.717905 0.717905 0.000000 O\n0.467905 0.967905 0.500000 O\n0.032095 0.532095 0.500000 O\n0.282095 0.282095 0.000000 O\n0.875000 0.361415 0.986415 O\n0.111415 0.625000 0.986415 O\n0.638585 0.125000 0.013585 O\n0.375000 0.888585 0.013585 O\n0.875000 0.888585 0.513585 O\n0.638585 0.625000 0.513585 O\n0.111415 0.125000 0.486415 O\n0.375000 0.361415 0.486415 O\n",
            "nsites": 20,
            "nelements": 3,
            "elements": [
                "Ba",
                "U",
                "O"
            ],
            "chemical_system": "Ba-O-U",
            "density": 7.580602893204466,
            "density_atomic": 0.06293448766844185,
            "volume": 317.79078119084915,
            "volume_molar": 9.56890408280827,
            "formula_full": "Ba2 U4 O14",
            "formula_reduced": "BaU2O7",
            "formula_anonymous": "AB2C7",
            "energy": -191.04104309,
            "energy_per_atom": -9.5520521545,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -181.42304309,
            "band_gap": 1.8593,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0009307,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:21.178000Z",
            "spacegroup": 141
        },
        {
            "id": "mp-1202924",
            "created_at": "2022-09-04T14:41:30.271409Z",
            "structure_string": "Ba2 U4 As4 O44\n1.0\n7.181552 0.000000 0.000000\n0.000000 7.231094 0.000000\n0.000000 5.837675 18.870085\nBa U As O\n2 4 4 44\ndirect\n0.010332 0.500000 0.250000 Ba\n0.989668 0.500000 0.750000 Ba\n0.748459 0.707969 0.052118 U\n0.748459 0.292031 0.447882 U\n0.251541 0.292031 0.947882 U\n0.251541 0.707969 0.552118 U\n0.248422 0.747137 0.000965 As\n0.248422 0.252863 0.499035 As\n0.751578 0.252863 0.999035 As\n0.751578 0.747137 0.500965 As\n0.764511 0.626658 0.152058 O\n0.764511 0.373342 0.347942 O\n0.235489 0.373342 0.847942 O\n0.235489 0.626658 0.652058 O\n0.440176 0.673327 0.054543 O\n0.440176 0.326673 0.445457 O\n0.559824 0.326673 0.945457 O\n0.559824 0.673327 0.554543 O\n0.063526 0.730722 0.058128 O\n0.063526 0.269278 0.441872 O\n0.936474 0.269278 0.941872 O\n0.936474 0.730722 0.558128 O\n0.214432 0.603907 0.946456 O\n0.214432 0.396093 0.553544 O\n0.785568 0.396093 0.053544 O\n0.785568 0.603907 0.446456 O\n0.276498 0.981335 0.948168 O\n0.276498 0.018665 0.551832 O\n0.723502 0.018665 0.051832 O\n0.723502 0.981335 0.448168 O\n0.743167 0.781441 0.955995 O\n0.743167 0.218559 0.544005 O\n0.256833 0.218559 0.044005 O\n0.256833 0.781441 0.455995 O\n0.096371 0.970249 0.174603 O\n0.096371 0.029751 0.325397 O\n0.903629 0.029751 0.825397 O\n0.903629 0.970249 0.674603 O\n0.050270 0.137323 0.170263 O\n0.050270 0.862677 0.329737 O\n0.949730 0.862677 0.829737 O\n0.949730 0.137323 0.670263 O\n0.357119 0.368009 0.216964 O\n0.357119 0.631991 0.283036 O\n0.642881 0.631991 0.783036 O\n0.642881 0.368009 0.716964 O\n0.514588 0.722820 0.261740 O\n0.514588 0.277180 0.238260 O\n0.485412 0.277180 0.738260 O\n0.485412 0.722820 0.761740 O\n0.505814 0.112672 0.285683 O\n0.505814 0.887328 0.214317 O\n0.494186 0.887328 0.714317 O\n0.494186 0.112672 0.785683 O\n",
            "nsites": 54,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "As",
                "O"
            ],
            "chemical_system": "As-Ba-O-U",
            "density": 3.7795618109506246,
            "density_atomic": 0.055105834910114844,
            "volume": 979.9325259853406,
            "volume_molar": 10.92831779034459,
            "formula_full": "Ba2 U4 As4 O44",
            "formula_reduced": "BaU2(AsO11)2",
            "formula_anonymous": "AB2C2D22",
            "energy": -358.6604296,
            "energy_per_atom": -6.641859807407407,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -358.6604296,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 8.3301825,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:19.936000Z",
            "spacegroup": 13
        },
        {
            "id": "mp-1095338",
            "created_at": "2022-09-04T14:46:19.453377Z",
            "structure_string": "Ba2 U2 Te8\n1.0\n3.153774 8.246208 0.000000\n-3.153774 8.246208 0.000000\n0.000000 6.809820 8.127365\nBa U Te\n2 2 8\ndirect\n0.899525 0.899525 0.305496 Ba\n0.100475 0.100475 0.694504 Ba\n0.638877 0.638877 0.225150 U\n0.361123 0.361123 0.774850 U\n0.105550 0.606575 0.043098 Te\n0.393425 0.894450 0.956902 Te\n0.894450 0.393425 0.956902 Te\n0.606575 0.105550 0.043098 Te\n0.100465 0.100465 0.341450 Te\n0.899535 0.899535 0.658550 Te\n0.609825 0.609825 0.550458 Te\n0.390175 0.390175 0.449542 Te\n",
            "nsites": 12,
            "nelements": 3,
            "elements": [
                "Ba",
                "U",
                "Te"
            ],
            "chemical_system": "Ba-Te-U",
            "density": 6.958706800582299,
            "density_atomic": 0.028386812711297258,
            "volume": 422.73150290043986,
            "volume_molar": 21.21457178460664,
            "formula_full": "Ba2 U2 Te8",
            "formula_reduced": "BaUTe4",
            "formula_anonymous": "ABC4",
            "energy": -66.39121419,
            "energy_per_atom": -5.5326011825,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -63.01521419000001,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.6718675,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:21.330000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-555561",
            "created_at": "2022-09-04T14:44:59.394221Z",
            "structure_string": "Ba2 U2 Si4 O16\n1.0\n2.867497 -8.395098 0.000000\n2.867497 8.395098 0.000000\n0.000000 0.000000 7.705894\nBa U Si O\n2 2 4 16\ndirect\n0.211001 0.788999 0.750000 Ba\n0.788999 0.211001 0.250000 Ba\n0.877989 0.122011 0.750000 U\n0.122011 0.877989 0.250000 U\n0.405491 0.594509 0.040375 Si\n0.594509 0.405491 0.959625 Si\n0.405491 0.594509 0.459625 Si\n0.594509 0.405491 0.540375 Si\n0.591847 0.870008 0.537519 O\n0.012883 0.987117 0.250000 O\n0.408153 0.129992 0.037519 O\n0.987117 0.012883 0.750000 O\n0.129992 0.408153 0.962481 O\n0.591847 0.870008 0.962481 O\n0.870008 0.591847 0.037519 O\n0.129992 0.408153 0.537519 O\n0.870008 0.591847 0.462481 O\n0.767016 0.232984 0.750000 O\n0.606175 0.393825 0.750000 O\n0.500000 0.500000 0.500000 O\n0.408153 0.129992 0.462481 O\n0.232984 0.767016 0.250000 O\n0.500000 0.500000 0.000000 O\n0.393825 0.606175 0.250000 O\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Si",
                "O"
            ],
            "chemical_system": "Ba-O-Si-U",
            "density": 5.00857956271539,
            "density_atomic": 0.06468885630579595,
            "volume": 371.006713838743,
            "volume_molar": 9.309394390174791,
            "formula_full": "Ba2 U2 Si4 O16",
            "formula_reduced": "BaU(SiO4)2",
            "formula_anonymous": "ABC2D8",
            "energy": -210.14679665,
            "energy_per_atom": -8.756116527083334,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -199.15479665,
            "band_gap": 2.3906,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 2.47e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:47.068000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-675410",
            "created_at": "2022-09-04T14:41:03.664209Z",
            "structure_string": "Ba2 U2 O3\n1.0\n4.024081 0.000000 0.000000\n0.000000 5.925718 0.000000\n0.000000 0.139627 7.982652\nBa U O\n2 2 3\ndirect\n0.500000 0.982757 0.016716 Ba\n0.500000 0.962275 0.513995 Ba\n0.000000 0.502871 0.770136 U\n0.000000 0.464688 0.278314 U\n0.500000 0.630730 0.797484 O\n0.000000 0.633879 0.516431 O\n0.500000 0.322799 0.266875 O\n",
            "nsites": 7,
            "nelements": 3,
            "elements": [
                "Ba",
                "U",
                "O"
            ],
            "chemical_system": "Ba-O-U",
            "density": 6.967602070527401,
            "density_atomic": 0.0367741928541459,
            "volume": 190.3508807865194,
            "volume_molar": 16.375997112662848,
            "formula_full": "Ba2 U2 O3",
            "formula_reduced": "Ba2U2O3",
            "formula_anonymous": "A2B2C3",
            "energy": -56.268110930000006,
            "energy_per_atom": -8.038301561428572,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -54.20711093,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.9144368,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:15.093000Z",
            "spacegroup": 6
        },
        {
            "id": "mp-574430",
            "created_at": "2022-09-04T14:39:12.175115Z",
            "structure_string": "Ba2 U2 I12\n1.0\n7.292690 4.179437 0.000000\n-7.292690 4.179437 0.000000\n0.000000 3.000497 15.058469\nBa U I\n2 2 12\ndirect\n0.169494 0.334346 0.996670 Ba\n0.334346 0.169494 0.496670 Ba\n0.666665 0.840450 0.498991 U\n0.840450 0.666665 0.998991 U\n0.592945 0.715402 0.882364 I\n0.715402 0.592945 0.382364 I\n0.888519 0.428181 0.875217 I\n0.611000 0.076210 0.621357 I\n0.428181 0.888519 0.375217 I\n0.000508 0.189579 0.387058 I\n0.189579 0.000508 0.887058 I\n0.915294 0.799549 0.617688 I\n0.076210 0.611000 0.121357 I\n0.500631 0.331226 0.115255 I\n0.331226 0.500631 0.615255 I\n0.799549 0.915294 0.117688 I\n",
            "nsites": 16,
            "nelements": 3,
            "elements": [
                "Ba",
                "U",
                "I"
            ],
            "chemical_system": "Ba-I-U",
            "density": 4.112824798106604,
            "density_atomic": 0.017430250625975537,
            "volume": 917.9443453415354,
            "volume_molar": 34.54993785932985,
            "formula_full": "Ba2 U2 I12",
            "formula_reduced": "BaUI6",
            "formula_anonymous": "ABC6",
            "energy": -68.54897492,
            "energy_per_atom": -4.2843109325,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -64.00097492,
            "band_gap": 0.2364999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 4.0000003,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:36.413000Z",
            "spacegroup": 9
        },
        {
            "id": "mp-1182767",
            "created_at": "2022-09-04T14:48:15.944975Z",
            "structure_string": "Ba2 U22 Ge4 O76\n1.0\n5.145261 -8.911854 0.000000\n5.145261 8.911854 0.000000\n0.000000 0.000000 17.414263\nBa U Ge O\n2 22 4 76\ndirect\n0.333333 0.666667 0.250000 Ba\n0.666667 0.333333 0.750000 Ba\n0.666667 0.333333 0.101647 U\n0.333333 0.666667 0.601647 U\n0.333333 0.666667 0.898353 U\n0.666667 0.333333 0.398353 U\n0.338766 0.357777 0.059262 U\n0.019011 0.661234 0.059262 U\n0.642223 0.980989 0.059262 U\n0.661234 0.019011 0.559262 U\n0.357777 0.338766 0.559262 U\n0.980989 0.642223 0.559262 U\n0.661234 0.642223 0.940738 U\n0.980989 0.338766 0.940738 U\n0.357777 0.019011 0.940738 U\n0.338766 0.980989 0.440738 U\n0.642223 0.661234 0.440738 U\n0.019011 0.357777 0.440738 U\n0.273002 0.136501 0.250000 U\n0.863499 0.726998 0.250000 U\n0.863499 0.136501 0.250000 U\n0.726998 0.863499 0.750000 U\n0.136501 0.273002 0.750000 U\n0.136501 0.863499 0.750000 U\n0.000000 0.000000 0.099744 Ge\n0.000000 0.000000 0.599744 Ge\n0.000000 0.000000 0.900256 Ge\n0.000000 0.000000 0.400256 Ge\n0.981196 0.825970 0.127679 O\n0.844774 0.018804 0.127679 O\n0.174030 0.155226 0.127679 O\n0.018804 0.844774 0.627679 O\n0.825970 0.981196 0.627679 O\n0.155226 0.174030 0.627679 O\n0.018804 0.174030 0.872321 O\n0.155226 0.981196 0.872321 O\n0.825970 0.844774 0.872321 O\n0.981196 0.155226 0.372321 O\n0.174030 0.018804 0.372321 O\n0.844774 0.825970 0.372321 O\n0.354188 0.494642 0.130803 O\n0.140454 0.645812 0.130803 O\n0.505358 0.859546 0.130803 O\n0.645812 0.140454 0.630803 O\n0.494642 0.354188 0.630803 O\n0.859546 0.505358 0.630803 O\n0.645812 0.505358 0.869197 O\n0.859546 0.354188 0.869197 O\n0.494642 0.140454 0.869197 O\n0.354188 0.859546 0.369197 O\n0.505358 0.645812 0.369197 O\n0.140454 0.494642 0.369197 O\n0.469769 0.286314 0.155460 O\n0.816545 0.530231 0.155460 O\n0.713686 0.183455 0.155460 O\n0.530231 0.816545 0.655460 O\n0.286314 0.469769 0.655460 O\n0.183455 0.713686 0.655460 O\n0.530231 0.713686 0.844540 O\n0.183455 0.469769 0.844540 O\n0.286314 0.816545 0.844540 O\n0.469769 0.183455 0.344540 O\n0.713686 0.530231 0.344540 O\n0.816545 0.286314 0.344540 O\n0.542234 0.134982 0.033966 O\n0.592749 0.457766 0.033966 O\n0.865018 0.407251 0.033966 O\n0.457766 0.592749 0.533966 O\n0.134982 0.542234 0.533966 O\n0.407251 0.865018 0.533966 O\n0.457766 0.865018 0.966034 O\n0.407251 0.542234 0.966034 O\n0.134982 0.592749 0.966034 O\n0.542234 0.407251 0.466034 O\n0.865018 0.457766 0.466034 O\n0.592749 0.134982 0.466034 O\n0.323672 0.221027 0.983346 O\n0.897355 0.676328 0.983346 O\n0.778973 0.102645 0.983346 O\n0.676328 0.897355 0.483346 O\n0.221027 0.323672 0.483346 O\n0.102645 0.778973 0.483346 O\n0.676328 0.778973 0.016654 O\n0.102645 0.323672 0.016654 O\n0.221027 0.897355 0.016654 O\n0.323672 0.102645 0.516654 O\n0.778973 0.676328 0.516654 O\n0.897355 0.221027 0.516654 O\n0.000000 0.000000 0.000000 O\n0.000000 0.000000 0.500000 O\n0.285092 0.975565 0.218179 O\n0.690473 0.714908 0.218179 O\n0.024435 0.309527 0.218179 O\n0.714908 0.690473 0.718179 O\n0.975565 0.285092 0.718179 O\n0.309527 0.024435 0.718179 O\n0.714908 0.024435 0.781821 O\n0.309527 0.285092 0.781821 O\n0.975565 0.690473 0.781821 O\n0.285092 0.309527 0.281821 O\n0.024435 0.714908 0.281821 O\n0.690473 0.975565 0.281821 O\n0.000000 0.000000 0.250000 O\n0.000000 0.000000 0.750000 O\n",
            "nsites": 104,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Ge",
                "O"
            ],
            "chemical_system": "Ba-Ge-O-U",
            "density": 7.296923455237367,
            "density_atomic": 0.06512125652067348,
            "volume": 1597.0207817931773,
            "volume_molar": 9.247580715965153,
            "formula_full": "Ba2 U22 Ge4 O76",
            "formula_reduced": "BaU11(GeO19)2",
            "formula_anonymous": "AB2C11D38",
            "energy": -1000.63774329,
            "energy_per_atom": -9.621516762403846,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -948.42574329,
            "band_gap": 1.6020999999999996,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.1972046,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:32.865000Z",
            "spacegroup": 163
        },
        {
            "id": "mp-1078725",
            "created_at": "2022-09-04T14:42:07.100752Z",
            "structure_string": "Ba2 U1 Zn1 O6\n1.0\n0.000000 4.250028 4.250028\n4.250028 0.000000 4.250028\n4.250028 4.250028 0.000000\nBa U Zn O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Zn\n0.746169 0.746169 0.253831 O\n0.253831 0.746169 0.253831 O\n0.746169 0.253831 0.253831 O\n0.253831 0.253831 0.746169 O\n0.746169 0.253831 0.746169 O\n0.253831 0.746169 0.746169 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Zn",
                "O"
            ],
            "chemical_system": "Ba-O-U-Zn",
            "density": 7.290553875916997,
            "density_atomic": 0.06513203243994585,
            "volume": 153.53428451999207,
            "volume_molar": 9.246050728652813,
            "formula_full": "Ba2 U1 Zn1 O6",
            "formula_reduced": "Ba2UZnO6",
            "formula_anonymous": "ABC2D6",
            "energy": -77.8443395,
            "energy_per_atom": -7.78443395,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -73.7223395,
            "band_gap": 1.7862999999999998,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002454,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:31.879000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1205557",
            "created_at": "2022-09-04T14:48:15.266010Z",
            "structure_string": "Ba2 U1 Ti1 O6\n1.0\n0.000000 4.229887 4.229887\n4.229887 0.000000 4.229887\n4.229887 4.229887 0.000000\nBa U Ti O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.500000 0.500000 0.500000 U\n0.000000 0.000000 0.000000 Ti\n0.758652 0.241348 0.241348 O\n0.241348 0.758652 0.758652 O\n0.241348 0.758652 0.241348 O\n0.758652 0.241348 0.758652 O\n0.241348 0.241348 0.758652 O\n0.758652 0.758652 0.241348 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Ti",
                "O"
            ],
            "chemical_system": "Ba-O-Ti-U",
            "density": 7.202747163592851,
            "density_atomic": 0.06606686631570087,
            "volume": 151.3618029378743,
            "volume_molar": 9.115220829792607,
            "formula_full": "Ba2 U1 Ti1 O6",
            "formula_reduced": "Ba2UTiO6",
            "formula_anonymous": "ABC2D6",
            "energy": -87.79798721999998,
            "energy_per_atom": -8.779798721999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -83.67598722,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9988726,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:47.309000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1080842",
            "created_at": "2022-09-04T14:47:15.568302Z",
            "structure_string": "Ba2 U1 Pb1 O6\n1.0\n0.000000 4.522444 4.522444\n4.522444 0.000000 4.522444\n4.522444 4.522444 0.000000\nBa U Pb O\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Pb\n0.769321 0.769321 0.230679 O\n0.230679 0.769321 0.230679 O\n0.769321 0.230679 0.230679 O\n0.230679 0.230679 0.769321 O\n0.769321 0.230679 0.769321 O\n0.230679 0.769321 0.769321 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Pb",
                "O"
            ],
            "chemical_system": "Ba-O-Pb-U",
            "density": 7.3236136968175405,
            "density_atomic": 0.05405680966384665,
            "volume": 184.99056940624502,
            "volume_molar": 11.14039248236957,
            "formula_full": "Ba2 U1 Pb1 O6",
            "formula_reduced": "Ba2UPbO6",
            "formula_anonymous": "ABC2D6",
            "energy": -78.93974117,
            "energy_per_atom": -7.893974117000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.81774117,
            "band_gap": 1.1945999999999994,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 3.04e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.067000Z",
            "spacegroup": 225
        },
        {
            "id": "mp-1103801",
            "created_at": "2022-09-04T14:45:29.064834Z",
            "structure_string": "Ba2 U1 P2 O10\n1.0\n0.000000 -5.533347 0.000000\n-6.431919 2.766674 0.000000\n1.547041 0.000000 -6.974586\nBa U P O\n2 1 2 10\ndirect\n0.161136 0.322272 0.202937 Ba\n0.838864 0.677728 0.797063 Ba\n0.500000 0.000000 0.500000 U\n0.143701 0.287402 0.722638 P\n0.856299 0.712598 0.277362 P\n0.467776 0.935552 0.736108 O\n0.532224 0.064448 0.263892 O\n0.912098 0.274080 0.583524 O\n0.361983 0.274080 0.583524 O\n0.087902 0.725920 0.416476 O\n0.638017 0.725920 0.416476 O\n0.251615 0.503231 0.865424 O\n0.748385 0.496769 0.134576 O\n0.050064 0.100128 0.822385 O\n0.949936 0.899872 0.177615 O\n",
            "nsites": 15,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "P",
                "O"
            ],
            "chemical_system": "Ba-O-P-U",
            "density": 4.914366709868219,
            "density_atomic": 0.06042885326213889,
            "volume": 248.2257926512417,
            "volume_molar": 9.96567109072234,
            "formula_full": "Ba2 U1 P2 O10",
            "formula_reduced": "Ba2U(PO5)2",
            "formula_anonymous": "AB2C2D10",
            "energy": -125.44585124,
            "energy_per_atom": -8.363056749333333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -118.57585124,
            "band_gap": 2.1158,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0234343,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:03.528000Z",
            "spacegroup": 12
        },
        {
            "id": "mp-19093",
            "created_at": "2022-09-04T14:40:28.502706Z",
            "structure_string": "Ba2 U1 Ni1 O6\n1.0\n0.000000 4.218773 4.218773\n4.218773 0.000000 4.218773\n4.218773 4.218773 0.000000\nBa U Ni O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Ba\n0.750000 0.750000 0.750000 Ba\n0.000000 0.000000 0.000000 U\n0.500000 0.500000 0.500000 Ni\n0.751922 0.248078 0.751922 O\n0.248078 0.248078 0.751922 O\n0.751922 0.751922 0.248078 O\n0.751922 0.248078 0.248078 O\n0.248078 0.751922 0.248078 O\n0.248078 0.751922 0.751922 O\n",
            "nsites": 10,
            "nelements": 4,
            "elements": [
                "Ba",
                "U",
                "Ni",
                "O"
            ],
            "chemical_system": "Ba-Ni-O-U",
            "density": 7.379536273293804,
            "density_atomic": 0.06659038574810594,
            "volume": 150.17182867549965,
            "volume_molar": 9.043558904704634,
            "formula_full": "Ba2 U1 Ni1 O6",
            "formula_reduced": "Ba2UNiO6",
            "formula_anonymous": "ABC2D6",
            "energy": -81.4418164,
            "energy_per_atom": -8.14418164,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -74.7788164,
            "band_gap": 1.6246,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9877867,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:01.783000Z",
            "spacegroup": 225
        }
    ]
}