GET /third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10137
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=10138",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_uncorrected&page=10136",
    "results": [
        {
            "id": "mp-1519635",
            "created_at": "2022-09-04T14:43:54.779901Z",
            "structure_string": "Sr8 Eu4 W4 O24\n1.0\n8.596781 0.000000 -0.000000\n-0.000000 8.596781 0.000000\n-0.000000 -0.000000 8.596781\nSr Eu W O\n8 4 4 24\ndirect\n0.500000 0.500000 0.500000 Sr\n0.000000 -0.000000 0.000000 Sr\n0.000000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.000000 Sr\n0.500000 0.500000 0.000000 Sr\n0.500000 -0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.750000 0.750000 0.750000 Eu\n0.750000 0.250000 0.250000 Eu\n0.250000 0.750000 0.250000 Eu\n0.250000 0.250000 0.750000 Eu\n0.250000 0.250000 0.250000 W\n0.250000 0.750000 0.750000 W\n0.750000 0.250000 0.750000 W\n0.750000 0.750000 0.250000 W\n0.215242 0.292546 0.473736 O\n0.215242 0.707454 0.526264 O\n0.784758 0.292546 0.526264 O\n0.784758 0.707454 0.473736 O\n0.292546 0.473736 0.215242 O\n0.707454 0.526264 0.215242 O\n0.292546 0.526264 0.784758 O\n0.707454 0.473736 0.784758 O\n0.473736 0.215242 0.292546 O\n0.526264 0.215242 0.707454 O\n0.526264 0.784758 0.292546 O\n0.473736 0.784758 0.707454 O\n0.284758 0.207454 0.026264 O\n0.284758 0.792546 0.973736 O\n0.715242 0.207454 0.973736 O\n0.715242 0.792546 0.026264 O\n0.207454 0.026264 0.284758 O\n0.792546 0.973736 0.284758 O\n0.207454 0.973736 0.715242 O\n0.792546 0.026264 0.715242 O\n0.026264 0.284758 0.207454 O\n0.973736 0.284758 0.792546 O\n0.973736 0.715242 0.207454 O\n0.026264 0.715242 0.792546 O\n",
            "nsites": 40,
            "nelements": 4,
            "elements": [
                "Sr",
                "Eu",
                "W",
                "O"
            ],
            "chemical_system": "Eu-O-Sr-W",
            "density": 6.346278021890799,
            "density_atomic": 0.06295821425250799,
            "volume": 635.3420355852386,
            "volume_molar": 9.565297922598088,
            "formula_full": "Sr8 Eu4 W4 O24",
            "formula_reduced": "Sr2EuWO6",
            "formula_anonymous": "ABC2D6",
            "energy": -343.08334130000003,
            "energy_per_atom": -8.577083532500001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.8433413,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 27.8838142,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:10.582000Z",
            "spacegroup": 201
        },
        {
            "id": "mp-1044234",
            "created_at": "2022-09-04T14:48:07.425543Z",
            "structure_string": "Ni8 P8 O36\n1.0\n6.321533 0.000000 0.000000\n0.000000 7.760846 0.000000\n0.000000 0.000000 14.050746\nNi P O\n8 8 36\ndirect\n0.250000 0.853080 0.621782 Ni\n0.750000 0.146920 0.378218 Ni\n0.750000 0.353080 0.878218 Ni\n0.250000 0.646920 0.121782 Ni\n0.500000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.000000 0.000000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.750000 0.851521 0.561432 P\n0.250000 0.148479 0.438568 P\n0.250000 0.351521 0.938568 P\n0.750000 0.648479 0.061432 P\n0.250000 0.894284 0.811714 P\n0.750000 0.105716 0.188286 P\n0.750000 0.394284 0.688286 P\n0.250000 0.605716 0.311714 P\n0.952377 0.096718 0.129256 O\n0.452377 0.903282 0.870744 O\n0.047623 0.596718 0.370744 O\n0.547623 0.403282 0.629256 O\n0.047623 0.903282 0.870744 O\n0.547623 0.096718 0.129256 O\n0.952377 0.403282 0.629256 O\n0.452377 0.596718 0.370744 O\n0.750000 0.834901 0.017847 O\n0.250000 0.165099 0.982153 O\n0.250000 0.334901 0.482153 O\n0.750000 0.665099 0.517847 O\n0.250000 0.644806 0.546208 O\n0.750000 0.355194 0.453792 O\n0.750000 0.144806 0.953792 O\n0.250000 0.855194 0.046208 O\n0.250000 0.729122 0.746899 O\n0.750000 0.270878 0.253101 O\n0.750000 0.229122 0.753101 O\n0.250000 0.770878 0.246899 O\n0.560270 0.636420 0.130711 O\n0.060270 0.363580 0.869289 O\n0.439730 0.136420 0.369289 O\n0.939730 0.863580 0.630711 O\n0.439730 0.363580 0.869289 O\n0.939730 0.636420 0.130711 O\n0.560270 0.863580 0.630711 O\n0.060270 0.136420 0.369289 O\n0.250000 0.472277 0.227967 O\n0.750000 0.527723 0.772033 O\n0.750000 0.972277 0.272033 O\n0.250000 0.027723 0.727967 O\n0.250000 0.491918 0.013455 O\n0.750000 0.508082 0.986545 O\n0.750000 0.991918 0.486545 O\n0.250000 0.008082 0.513455 O\n",
            "nsites": 52,
            "nelements": 3,
            "elements": [
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Ni-O-P",
            "density": 3.115464361829087,
            "density_atomic": 0.07543492893335023,
            "volume": 689.3358386529942,
            "volume_molar": 7.983225867848038,
            "formula_full": "Ni8 P8 O36",
            "formula_reduced": "Ni2P2O9",
            "formula_anonymous": "A2B2C9",
            "energy": -353.90881977,
            "energy_per_atom": -6.805938841730769,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.84881977,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 7.9968333,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:38:26.261000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-697078",
            "created_at": "2022-09-04T14:43:11.159372Z",
            "structure_string": "Cs4 Si2 P8 H4 O28\n1.0\n9.247053 0.000000 0.000000\n-3.661006 8.666069 0.000000\n-3.511850 -2.395221 8.721250\nCs Si P H O\n4 2 8 4 28\ndirect\n0.806283 0.671235 0.779109 Cs\n0.193717 0.328765 0.220891 Cs\n0.209198 0.739860 0.533329 Cs\n0.790802 0.260140 0.466671 Cs\n0.500000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.242389 0.142042 0.856535 P\n0.757611 0.857958 0.143465 P\n0.296608 0.345692 0.647881 P\n0.703392 0.654308 0.352119 P\n0.310228 0.876179 0.198250 P\n0.689772 0.123821 0.801750 P\n0.239785 0.645382 0.934079 P\n0.760215 0.354618 0.065921 P\n0.925201 0.069646 0.812065 H\n0.074799 0.930354 0.187935 H\n0.479820 0.244134 0.629950 H\n0.520180 0.755866 0.370050 H\n0.072805 0.039242 0.860973 O\n0.927195 0.960758 0.139027 O\n0.343809 0.303772 0.979265 O\n0.656191 0.696228 0.020735 O\n0.644742 0.943435 0.138560 O\n0.355258 0.056565 0.861440 O\n0.197952 0.182855 0.691215 O\n0.802048 0.817145 0.308785 O\n0.167275 0.377244 0.526982 O\n0.832725 0.622756 0.473018 O\n0.593591 0.519079 0.200777 O\n0.406409 0.480921 0.799223 O\n0.419002 0.314966 0.585311 O\n0.580998 0.685034 0.414689 O\n0.566489 0.147541 0.665496 O\n0.433511 0.852459 0.334504 O\n0.397825 0.004115 0.125868 O\n0.602175 0.995885 0.874132 O\n0.810807 0.080631 0.750476 O\n0.189193 0.919369 0.249524 O\n0.185849 0.712561 0.060939 O\n0.814151 0.287439 0.939061 O\n0.075995 0.534384 0.798508 O\n0.924005 0.465616 0.201492 O\n0.642538 0.425632 0.972099 O\n0.357462 0.574368 0.027901 O\n0.351241 0.797642 0.899361 O\n0.648759 0.202358 0.100639 O\n",
            "nsites": 46,
            "nelements": 5,
            "elements": [
                "Cs",
                "Si",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "Cs-H-O-P-Si",
            "density": 3.0593215047488562,
            "density_atomic": 0.06581935260293442,
            "volume": 698.8825957845897,
            "volume_molar": 9.14949862288909,
            "formula_full": "Cs4 Si2 P8 H4 O28",
            "formula_reduced": "Cs2SiP4(HO7)2",
            "formula_anonymous": "AB2C2D4E14",
            "energy": -328.09725744,
            "energy_per_atom": -7.1325490747826095,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.86125744,
            "band_gap": 5.1811,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0076975,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:36:04.125000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-768072",
            "created_at": "2022-09-04T14:41:17.747286Z",
            "structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.231935 0.000000 0.000000\n0.000000 9.204082 0.000000\n0.000000 0.481639 10.489264\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.461557 0.237682 0.621457 Na\n0.038443 0.237682 0.121457 Na\n0.961557 0.762318 0.878543 Na\n0.538443 0.762318 0.378543 Na\n0.746049 0.344522 0.891640 Mn\n0.753951 0.344522 0.391640 Mn\n0.246049 0.655478 0.608360 Mn\n0.253951 0.655478 0.108360 Mn\n0.248498 0.435076 0.861675 P\n0.251502 0.435076 0.361675 P\n0.748498 0.564924 0.638325 P\n0.751502 0.564924 0.138325 P\n0.746256 0.084547 0.863897 C\n0.753744 0.084547 0.363897 C\n0.246256 0.915453 0.636103 C\n0.253744 0.915453 0.136103 C\n0.242573 0.047153 0.652306 O\n0.257427 0.047153 0.152306 O\n0.755467 0.145608 0.974899 O\n0.744533 0.145608 0.474899 O\n0.740395 0.186685 0.770134 O\n0.759605 0.186685 0.270134 O\n0.055322 0.334837 0.898104 O\n0.440958 0.332914 0.891323 O\n0.059042 0.332914 0.391323 O\n0.444678 0.334837 0.398104 O\n0.248766 0.477451 0.716613 O\n0.747008 0.426113 0.562732 O\n0.251234 0.477451 0.216613 O\n0.752992 0.426113 0.062732 O\n0.247008 0.573887 0.937268 O\n0.748766 0.522549 0.783387 O\n0.252992 0.573887 0.437268 O\n0.751234 0.522549 0.283387 O\n0.555322 0.665163 0.601896 O\n0.940958 0.667086 0.608677 O\n0.559042 0.667086 0.108677 O\n0.944678 0.665163 0.101896 O\n0.240395 0.813315 0.729866 O\n0.259605 0.813315 0.229866 O\n0.255467 0.854392 0.525101 O\n0.244533 0.854392 0.025101 O\n0.742573 0.952847 0.847694 O\n0.757427 0.952847 0.347694 O\n",
            "nsites": 44,
            "nelements": 5,
            "elements": [
                "Na",
                "Mn",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Mn-Na-O-P",
            "density": 2.5712554596797768,
            "density_atomic": 0.07313146378114656,
            "volume": 601.6562191572499,
            "volume_molar": 8.234678274759927,
            "formula_full": "Na4 Mn4 P4 C4 O28",
            "formula_reduced": "NaMnPCO7",
            "formula_anonymous": "ABCDE7",
            "energy": -334.77349461,
            "energy_per_atom": -7.6084885138636364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.86549461,
            "band_gap": 0.9575,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0004735,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:17.403000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-758169",
            "created_at": "2022-09-04T14:43:01.236241Z",
            "structure_string": "K2 V12 O28\n1.0\n7.248849 0.000000 0.000000\n-1.790248 8.569359 0.000000\n-0.032051 -2.598101 10.232438\nK V O\n2 12 28\ndirect\n0.747649 0.999436 0.593688 K\n0.252351 0.000564 0.406312 K\n0.083297 0.325273 0.897736 V\n0.577414 0.317136 0.896574 V\n0.176056 0.702801 0.864528 V\n0.672386 0.686110 0.861869 V\n0.606098 0.418814 0.580766 V\n0.106866 0.429262 0.589584 V\n0.393902 0.581186 0.419234 V\n0.893134 0.570738 0.410416 V\n0.327614 0.313890 0.138131 V\n0.823944 0.297199 0.135472 V\n0.422586 0.682864 0.103426 V\n0.916703 0.674727 0.102264 V\n0.849486 0.366615 0.950978 O\n0.337775 0.380601 0.947857 O\n0.537226 0.144182 0.790441 O\n0.040446 0.151688 0.793049 O\n0.923227 0.736821 0.930856 O\n0.445170 0.732972 0.928131 O\n0.115086 0.469088 0.774414 O\n0.621033 0.476653 0.777825 O\n0.696996 0.779154 0.743865 O\n0.193924 0.787096 0.742201 O\n0.558068 0.221876 0.536188 O\n0.057369 0.233247 0.542857 O\n0.880163 0.498497 0.578069 O\n0.367407 0.494396 0.577755 O\n0.119837 0.501503 0.421931 O\n0.632593 0.505604 0.422245 O\n0.441932 0.778124 0.463812 O\n0.942631 0.766753 0.457143 O\n0.303004 0.220846 0.256135 O\n0.806076 0.212904 0.257799 O\n0.378967 0.523347 0.222175 O\n0.884914 0.530912 0.225586 O\n0.554830 0.267028 0.071869 O\n0.076773 0.263179 0.069144 O\n0.959554 0.848312 0.206951 O\n0.462774 0.855818 0.209559 O\n0.662225 0.619399 0.052143 O\n0.150514 0.633385 0.049022 O\n",
            "nsites": 42,
            "nelements": 3,
            "elements": [
                "K",
                "V",
                "O"
            ],
            "chemical_system": "K-O-V",
            "density": 2.9716353400442337,
            "density_atomic": 0.06607737443979034,
            "volume": 635.6184754022025,
            "volume_molar": 9.113771258401574,
            "formula_full": "K2 V12 O28",
            "formula_reduced": "KV6O14",
            "formula_anonymous": "AB6C14",
            "energy": -348.51603026000004,
            "energy_per_atom": -8.29800072047619,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.88003026,
            "band_gap": 1.0927,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 6.001237,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:11.276000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-699691",
            "created_at": "2022-09-04T14:42:28.817647Z",
            "structure_string": "Mn14 Sb2 As2 O24\n1.0\n-3.109958 4.480901 9.661532\n3.109958 -4.480901 9.661532\n3.109958 4.480901 -9.661532\nMn Sb As O\n14 2 2 24\ndirect\n0.794926 0.925697 0.869229 Mn\n0.158394 0.158394 0.500000 Mn\n0.810415 0.333894 0.476521 Mn\n0.158394 0.658394 0.000000 Mn\n0.642627 0.166106 0.476521 Mn\n0.841606 0.341606 0.000000 Mn\n0.556468 0.425697 0.130771 Mn\n0.000000 0.000000 0.500000 Mn\n0.357373 0.833894 0.523479 Mn\n0.841606 0.841606 0.500000 Mn\n0.189585 0.666106 0.523479 Mn\n0.205074 0.074303 0.130771 Mn\n0.443532 0.574303 0.869229 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.500000 Sb\n0.000000 0.500000 0.500000 Sb\n0.370470 0.250000 0.120470 As\n0.629530 0.750000 0.879530 As\n0.266543 0.990885 0.275657 O\n0.111065 0.829021 0.282044 O\n0.738680 0.517824 0.756503 O\n0.784772 0.509115 0.275657 O\n0.738680 0.982176 0.220856 O\n0.405675 0.175981 0.229694 O\n0.446288 0.675981 0.770306 O\n0.553712 0.324019 0.229694 O\n0.733457 0.009115 0.724343 O\n0.919733 0.200958 0.274406 O\n0.261320 0.482176 0.243497 O\n0.953023 0.670979 0.282044 O\n0.594325 0.824019 0.770306 O\n0.573448 0.299042 0.718775 O\n0.080267 0.354673 0.281225 O\n0.888935 0.170979 0.717956 O\n0.215228 0.490885 0.724343 O\n0.919733 0.645327 0.718775 O\n0.046977 0.329021 0.717956 O\n0.426552 0.700958 0.281225 O\n0.573448 0.854673 0.274406 O\n0.261320 0.017824 0.779144 O\n0.426552 0.145327 0.725594 O\n0.080267 0.799042 0.725594 O\n",
            "nsites": 42,
            "nelements": 4,
            "elements": [
                "Mn",
                "Sb",
                "As",
                "O"
            ],
            "chemical_system": "As-Mn-O-Sb",
            "density": 4.768348032082223,
            "density_atomic": 0.0779872182606971,
            "volume": 538.5497897822388,
            "volume_molar": 7.721958667469171,
            "formula_full": "Mn14 Sb2 As2 O24",
            "formula_reduced": "Mn7SbAsO12",
            "formula_anonymous": "ABC7D12",
            "energy": -348.74948173,
            "energy_per_atom": -8.303559088809525,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.90948173,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 70.0040174,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:49.534000Z",
            "spacegroup": 74
        },
        {
            "id": "mp-1520714",
            "created_at": "2022-09-04T14:42:21.779353Z",
            "structure_string": "Ba4 Sr4 Eu4 W4 O24\n1.0\n8.572912 0.000000 0.000000\n0.000000 8.644320 0.000000\n0.000000 0.000000 8.631883\nBa Sr Eu W O\n4 4 4 4 24\ndirect\n-0.000000 0.000000 0.000000 Ba\n0.500000 0.500000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.000000 0.500000 Ba\n0.750000 0.750000 0.750000 Sr\n0.250000 0.250000 0.750000 Sr\n0.250000 0.750000 0.250000 Sr\n0.750000 0.250000 0.250000 Sr\n0.000000 0.500000 0.500000 Eu\n0.500000 0.000000 0.500000 Eu\n0.500000 0.000000 -0.000000 Eu\n0.000000 0.500000 -0.000000 Eu\n0.250000 0.250000 0.250000 W\n0.750000 0.750000 0.250000 W\n0.750000 0.250000 0.750000 W\n0.250000 0.750000 0.750000 W\n0.027663 0.209964 0.281692 O\n0.972337 0.790036 0.281692 O\n0.972337 0.209964 0.718308 O\n0.027663 0.790036 0.718308 O\n0.288823 0.029735 0.200020 O\n0.288823 0.970265 0.799980 O\n0.711177 0.970265 0.200020 O\n0.711177 0.029735 0.799980 O\n0.203538 0.292743 0.029696 O\n0.796462 0.292743 0.970304 O\n0.203538 0.707257 0.970304 O\n0.796462 0.707257 0.029696 O\n0.472337 0.290036 0.218308 O\n0.527663 0.709964 0.218308 O\n0.527663 0.290036 0.781692 O\n0.472337 0.709964 0.781692 O\n0.211177 0.470265 0.299980 O\n0.211177 0.529735 0.700020 O\n0.788823 0.529735 0.299980 O\n0.788823 0.470265 0.700020 O\n0.296462 0.207257 0.470304 O\n0.703538 0.207257 0.529696 O\n0.296462 0.792743 0.529696 O\n0.703538 0.792743 0.470304 O\n",
            "nsites": 40,
            "nelements": 5,
            "elements": [
                "Ba",
                "Sr",
                "Eu",
                "W",
                "O"
            ],
            "chemical_system": "Ba-Eu-O-Sr-W",
            "density": 6.819345660152175,
            "density_atomic": 0.06253098142561878,
            "volume": 639.6829073853638,
            "volume_molar": 9.630651275101762,
            "formula_full": "Ba4 Sr4 Eu4 W4 O24",
            "formula_reduced": "BaSrEuWO6",
            "formula_anonymous": "ABCDE6",
            "energy": -343.16464262,
            "energy_per_atom": -8.5791160655,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.92464262,
            "band_gap": 0.0838999999999998,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 28.0000009,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:35:45.858000Z",
            "spacegroup": 48
        },
        {
            "id": "mp-1218711",
            "created_at": "2022-09-04T14:44:41.403328Z",
            "structure_string": "Sr10 V6 H2 O26\n1.0\n0.000000 0.000000 -7.491799\n-5.115242 -8.860212 0.000000\n-5.115320 8.860258 0.000000\nSr V H O\n10 6 2 26\ndirect\n0.000994 0.333360 0.666678 Sr\n0.500994 0.666640 0.333322 Sr\n0.998938 0.666639 0.333321 Sr\n0.498938 0.333361 0.666679 Sr\n0.249103 0.747578 0.994430 Sr\n0.249102 0.005583 0.753143 Sr\n0.249101 0.246844 0.252434 Sr\n0.749103 0.252422 0.005570 Sr\n0.749102 0.994417 0.246857 Sr\n0.749101 0.753156 0.747566 Sr\n0.249454 0.969463 0.367555 V\n0.249453 0.632456 0.601923 V\n0.249466 0.398086 0.030530 V\n0.749454 0.030537 0.632445 V\n0.749453 0.367544 0.398077 V\n0.749466 0.601914 0.969470 V\n0.572655 0.000000 0.000001 H\n0.072655 0.000000 0.999999 H\n0.250216 0.871657 0.467595 O\n0.250216 0.532390 0.404061 O\n0.250221 0.595931 0.128330 O\n0.750216 0.128343 0.532405 O\n0.750216 0.467610 0.595939 O\n0.750221 0.404069 0.871670 O\n0.249611 0.165585 0.484806 O\n0.249613 0.515208 0.680783 O\n0.249615 0.319220 0.834415 O\n0.749611 0.834415 0.515194 O\n0.749613 0.484792 0.319217 O\n0.749615 0.680780 0.165585 O\n0.064708 0.907849 0.249979 O\n0.064704 0.750021 0.657871 O\n0.064718 0.342136 0.092145 O\n0.564708 0.092151 0.750021 O\n0.564704 0.249979 0.342129 O\n0.564718 0.657864 0.907855 O\n0.933424 0.091388 0.751641 O\n0.933429 0.248361 0.339749 O\n0.933442 0.660253 0.908610 O\n0.433424 0.908612 0.248359 O\n0.433429 0.751639 0.660251 O\n0.433442 0.339747 0.091390 O\n0.203416 0.000002 0.999996 O\n0.703416 0.999998 0.000004 O\n",
            "nsites": 44,
            "nelements": 4,
            "elements": [
                "Sr",
                "V",
                "H",
                "O"
            ],
            "chemical_system": "H-O-Sr-V",
            "density": 3.911986236504394,
            "density_atomic": 0.06479206579536988,
            "volume": 679.0954951021843,
            "volume_molar": 9.294565138607373,
            "formula_full": "Sr10 V6 H2 O26",
            "formula_reduced": "Sr5V3HO13",
            "formula_anonymous": "AB3C5D13",
            "energy": -336.98864775,
            "energy_per_atom": -7.658832903409091,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.92664775,
            "band_gap": 3.993500000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.004509,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:47.980000Z",
            "spacegroup": 173
        },
        {
            "id": "mp-1101664",
            "created_at": "2022-09-04T14:39:34.735356Z",
            "structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.232353 0.000000 0.000000\n-0.241321 10.408132 0.000000\n-0.012309 -4.792419 9.289598\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.954772 0.763795 0.757075 Na\n0.556018 0.761980 0.257396 Na\n0.039491 0.232763 0.737149 Na\n0.041159 0.234755 0.237724 Na\n0.250136 0.654087 0.934647 Mn\n0.250387 0.654220 0.435111 Mn\n0.733867 0.345876 0.566055 Mn\n0.737033 0.345688 0.065437 Mn\n0.747111 0.563731 0.920349 P\n0.751914 0.564053 0.420634 P\n0.240655 0.436079 0.580508 P\n0.242157 0.435776 0.079849 P\n0.254418 0.911585 0.094226 C\n0.264405 0.911837 0.594726 C\n0.752595 0.090047 0.405718 C\n0.740314 0.088713 0.905698 C\n0.769283 0.960276 0.322974 O\n0.748257 0.958609 0.823262 O\n0.248488 0.851934 0.952229 O\n0.273874 0.852279 0.452957 O\n0.263418 0.808450 0.136020 O\n0.258964 0.808603 0.636694 O\n0.941713 0.665776 0.932465 O\n0.555650 0.662413 0.939395 O\n0.945286 0.671401 0.448245 O\n0.559192 0.657211 0.424838 O\n0.745052 0.523687 0.546624 O\n0.239407 0.575719 0.723829 O\n0.749451 0.523883 0.046756 O\n0.247363 0.574984 0.223677 O\n0.746770 0.424806 0.776528 O\n0.232827 0.475325 0.953244 O\n0.764779 0.426317 0.276444 O\n0.233228 0.475255 0.453593 O\n0.430176 0.337471 0.565268 O\n0.044657 0.334562 0.567072 O\n0.433431 0.338265 0.065126 O\n0.047653 0.332624 0.064467 O\n0.746073 0.193636 0.364587 O\n0.739507 0.192252 0.864107 O\n0.740240 0.147585 0.547123 O\n0.734579 0.147658 0.047530 O\n0.251529 0.041892 0.176216 O\n0.256922 0.042140 0.676429 O\n",
            "nsites": 44,
            "nelements": 5,
            "elements": [
                "Na",
                "Mn",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Mn-Na-O-P",
            "density": 2.5672719823711967,
            "density_atomic": 0.0730181660045998,
            "volume": 602.5897719374136,
            "volume_molar": 8.247455516235007,
            "formula_full": "Na4 Mn4 P4 C4 O28",
            "formula_reduced": "NaMnPCO7",
            "formula_anonymous": "ABCDE7",
            "energy": -334.85078764,
            "energy_per_atom": -7.610245173636364,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.94278764,
            "band_gap": 1.333,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 12.0020953,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:34:24.036000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1101667",
            "created_at": "2022-09-04T14:44:06.354478Z",
            "structure_string": "Na4 Mn4 P4 C4 O28\n1.0\n6.236133 0.000000 0.000000\n0.000000 10.416591 0.000000\n0.000000 4.846296 9.238532\nNa Mn P C O\n4 4 4 4 28\ndirect\n0.543974 0.760997 0.243378 Na\n0.956026 0.760997 0.743378 Na\n0.043974 0.239003 0.256622 Na\n0.456026 0.239003 0.756622 Na\n0.250623 0.654870 0.064780 Mn\n0.249377 0.654870 0.564780 Mn\n0.750623 0.345130 0.435220 Mn\n0.749377 0.345130 0.935220 Mn\n0.752267 0.565479 0.077144 P\n0.747733 0.565479 0.577144 P\n0.252267 0.434521 0.422856 P\n0.247733 0.434521 0.922856 P\n0.249535 0.914318 0.905968 C\n0.250465 0.914318 0.405968 C\n0.749535 0.085682 0.594032 C\n0.750465 0.085682 0.094032 C\n0.743955 0.954514 0.675442 O\n0.756045 0.954514 0.175442 O\n0.259211 0.852579 0.048799 O\n0.240789 0.852579 0.548799 O\n0.245368 0.812684 0.862691 O\n0.254632 0.812684 0.362691 O\n0.945024 0.668126 0.054347 O\n0.559430 0.663287 0.068335 O\n0.940570 0.663287 0.568335 O\n0.554976 0.668126 0.554347 O\n0.751233 0.525783 0.450393 O\n0.261838 0.574154 0.278056 O\n0.748767 0.525783 0.950393 O\n0.238162 0.574154 0.778056 O\n0.761838 0.425846 0.221944 O\n0.251233 0.474217 0.049607 O\n0.738162 0.425846 0.721944 O\n0.248767 0.474217 0.549607 O\n0.445024 0.331874 0.445653 O\n0.059430 0.336713 0.431665 O\n0.440570 0.336713 0.931665 O\n0.054976 0.331874 0.945653 O\n0.745368 0.187316 0.637309 O\n0.754632 0.187316 0.137309 O\n0.759211 0.147421 0.451201 O\n0.740789 0.147421 0.951201 O\n0.243955 0.045486 0.824558 O\n0.256045 0.045486 0.324558 O\n",
            "nsites": 44,
            "nelements": 5,
            "elements": [
                "Na",
                "Mn",
                "P",
                "C",
                "O"
            ],
            "chemical_system": "C-Mn-Na-O-P",
            "density": 2.577802784577049,
            "density_atomic": 0.07331768232733796,
            "volume": 600.128081020828,
            "volume_molar": 8.213763131672977,
            "formula_full": "Na4 Mn4 P4 C4 O28",
            "formula_reduced": "NaMnPCO7",
            "formula_anonymous": "ABCDE7",
            "energy": -334.85207832000003,
            "energy_per_atom": -7.610274507272728,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.94407832,
            "band_gap": 1.3202,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 12.0014419,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:36:30.038000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-558504",
            "created_at": "2022-09-04T14:45:41.150011Z",
            "structure_string": "Ba8 Zn8 Te8 Cl16 O24\n1.0\n5.722314 0.000000 0.000000\n0.000000 12.521301 0.000000\n0.000000 0.000000 19.819857\nBa Zn Te Cl O\n8 8 8 16 24\ndirect\n0.250000 0.332556 0.669934 Ba\n0.250000 0.942932 0.289557 Ba\n0.250000 0.832556 0.830066 Ba\n0.750000 0.667444 0.330066 Ba\n0.750000 0.557068 0.789557 Ba\n0.250000 0.442932 0.210443 Ba\n0.750000 0.167444 0.169934 Ba\n0.750000 0.057068 0.710443 Ba\n0.250000 0.570214 0.927490 Zn\n0.750000 0.013824 0.906382 Zn\n0.250000 0.486176 0.406382 Zn\n0.750000 0.429786 0.072510 Zn\n0.250000 0.986176 0.093618 Zn\n0.250000 0.070214 0.572510 Zn\n0.750000 0.513824 0.593618 Zn\n0.750000 0.929786 0.427490 Zn\n0.750000 0.859874 0.160651 Te\n0.750000 0.359874 0.339349 Te\n0.750000 0.225401 0.548850 Te\n0.250000 0.140126 0.839349 Te\n0.250000 0.274599 0.048850 Te\n0.250000 0.774599 0.451150 Te\n0.750000 0.725401 0.951150 Te\n0.250000 0.640126 0.660651 Te\n0.250000 0.375620 0.495234 Cl\n0.750000 0.439806 0.959720 Cl\n0.250000 0.940607 0.654779 Cl\n0.250000 0.694133 0.240705 Cl\n0.250000 0.060194 0.459720 Cl\n0.750000 0.559393 0.154779 Cl\n0.750000 0.624380 0.504766 Cl\n0.250000 0.560194 0.040280 Cl\n0.250000 0.440607 0.845221 Cl\n0.750000 0.939806 0.540280 Cl\n0.750000 0.805867 0.740705 Cl\n0.750000 0.059393 0.345221 Cl\n0.250000 0.194133 0.259295 Cl\n0.250000 0.875620 0.004766 Cl\n0.750000 0.305867 0.759295 Cl\n0.750000 0.124380 0.995234 Cl\n0.492865 0.830328 0.395766 O\n0.507135 0.169672 0.604234 O\n0.507135 0.669672 0.895766 O\n0.506405 0.464395 0.338797 O\n0.250000 0.660834 0.753172 O\n0.750000 0.839166 0.253172 O\n0.506405 0.964395 0.161203 O\n0.250000 0.641794 0.407345 O\n0.750000 0.358206 0.592655 O\n0.007135 0.830328 0.395766 O\n0.750000 0.339166 0.246828 O\n0.992865 0.669672 0.895766 O\n0.993595 0.464395 0.338797 O\n0.250000 0.160834 0.746828 O\n0.750000 0.858206 0.907345 O\n0.992865 0.169672 0.604234 O\n0.493595 0.535605 0.661203 O\n0.006405 0.035605 0.838797 O\n0.993595 0.964395 0.161203 O\n0.250000 0.141794 0.092655 O\n0.492865 0.330328 0.104234 O\n0.007135 0.330328 0.104234 O\n0.493595 0.035605 0.838797 O\n0.006405 0.535605 0.661203 O\n",
            "nsites": 64,
            "nelements": 5,
            "elements": [
                "Ba",
                "Zn",
                "Te",
                "Cl",
                "O"
            ],
            "chemical_system": "Ba-Cl-O-Te-Zn",
            "density": 4.2023869468977875,
            "density_atomic": 0.04506696547806863,
            "volume": 1420.1089272616978,
            "volume_molar": 13.362649772660228,
            "formula_full": "Ba8 Zn8 Te8 Cl16 O24",
            "formula_reduced": "BaZnTeCl2O3",
            "formula_anonymous": "ABCD2E3",
            "energy": -335.26674393,
            "energy_per_atom": -5.23854287390625,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.95474393,
            "band_gap": 3.7598,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0016234,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:37:12.566000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1229142",
            "created_at": "2022-09-04T14:45:21.351843Z",
            "structure_string": "Ba10 Na4 Ru6 O28\n1.0\n24.740951 0.000000 0.000000\n0.000000 5.913747 0.000000\n0.000000 2.930895 5.209957\nBa Na Ru O\n10 4 6 28\ndirect\n0.441202 0.680326 0.642374 Ba\n0.556833 0.325792 0.371726 Ba\n0.941202 0.319674 0.357626 Ba\n0.056833 0.674208 0.628274 Ba\n0.335484 0.005775 0.976623 Ba\n0.665014 0.985781 0.023464 Ba\n0.835484 0.994225 0.023377 Ba\n0.165014 0.014219 0.976536 Ba\n0.250546 0.342723 0.313707 Ba\n0.750546 0.657277 0.686293 Ba\n0.402636 0.345523 0.318318 Na\n0.598943 0.677648 0.681348 Na\n0.902636 0.654477 0.681682 Na\n0.098943 0.322352 0.318652 Na\n0.306034 0.673701 0.648210 Ru\n0.693269 0.324955 0.352833 Ru\n0.806034 0.326299 0.351790 Ru\n0.193269 0.675045 0.647167 Ru\n0.497874 0.996187 0.012131 Ru\n0.997874 0.003813 0.987869 Ru\n0.442956 0.761139 0.127169 O\n0.558001 0.928489 0.874208 O\n0.942956 0.238861 0.872831 O\n0.058001 0.071511 0.125792 O\n0.464671 0.179259 0.669991 O\n0.533014 0.818300 0.354047 O\n0.964671 0.820741 0.330009 O\n0.033014 0.181700 0.645953 O\n0.348046 0.986051 0.492471 O\n0.652158 0.480009 0.513121 O\n0.848046 0.013949 0.507529 O\n0.152158 0.519991 0.486879 O\n0.249169 0.370834 0.799040 O\n0.750198 0.172769 0.199855 O\n0.749169 0.629166 0.200960 O\n0.250198 0.827231 0.800145 O\n0.346108 0.515009 0.492275 O\n0.653932 0.010706 0.509009 O\n0.846108 0.484991 0.507725 O\n0.153932 0.989294 0.490991 O\n0.347265 0.511459 0.959344 O\n0.650490 0.470285 0.045741 O\n0.847265 0.488541 0.040656 O\n0.150490 0.529715 0.954259 O\n0.250023 0.824732 0.347363 O\n0.750023 0.175268 0.652637 O\n0.489134 0.287188 0.045441 O\n0.989134 0.712812 0.954559 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Ba",
                "Na",
                "Ru",
                "O"
            ],
            "chemical_system": "Ba-Na-O-Ru",
            "density": 5.48874420779035,
            "density_atomic": 0.06296916995678896,
            "volume": 762.2777945610339,
            "volume_molar": 9.563633702226893,
            "formula_full": "Ba10 Na4 Ru6 O28",
            "formula_reduced": "Ba5Na2Ru3O14",
            "formula_anonymous": "A2B3C5D14",
            "energy": -328.20540273,
            "energy_per_atom": -6.837612556875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -308.96940273,
            "band_gap": 0.1436000000000001,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 15.9990611,
            "is_theoretical": true,
            "updated_at": "2021-11-28T01:37:04.850000Z",
            "spacegroup": 4
        }
    ]
}