GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=88
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=is_theoretical&page=89",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=87",
    "results": [
        {
            "id": "mp-1080074",
            "created_at": "2022-09-04T14:47:25.747300Z",
            "structure_string": "U2 Cu4 Sn2\n1.0\n2.352330 -4.074355 0.000000\n2.352330 4.074355 0.000000\n0.000000 0.000000 7.929111\nU Cu Sn\n2 4 2\ndirect\n0.000000 0.000000 0.500000 U\n0.000000 0.000000 0.000000 U\n0.333333 0.666667 0.896879 Cu\n0.666667 0.333333 0.103121 Cu\n0.666667 0.333333 0.396879 Cu\n0.333333 0.666667 0.603121 Cu\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "U",
                "Cu",
                "Sn"
            ],
            "chemical_system": "Cu-Sn-U",
            "density": 10.572095954966608,
            "density_atomic": 0.05263545480468569,
            "volume": 151.98880734830902,
            "volume_molar": 11.441224897450493,
            "formula_full": "U2 Cu4 Sn2",
            "formula_reduced": "UCu2Sn",
            "formula_anonymous": "ABC2",
            "energy": -45.45799874,
            "energy_per_atom": -5.6822498425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -45.45799874,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 5.0327353,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:04.777000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-1203841",
            "created_at": "2022-09-04T14:47:27.998775Z",
            "structure_string": "Li4 V4 P4 H16 O28\n1.0\n4.529812 -4.560688 0.000000\n4.529812 4.560688 0.000000\n0.000000 0.000000 13.149343\nLi V P H O\n4 4 4 16 28\ndirect\n0.379288 0.620712 0.928603 Li\n0.620712 0.379288 0.071397 Li\n0.120712 0.879288 0.428603 Li\n0.879288 0.120712 0.571397 Li\n0.122983 0.877017 0.788335 V\n0.877017 0.122983 0.211665 V\n0.377017 0.622983 0.288335 V\n0.622983 0.377017 0.711665 V\n0.627459 0.872541 0.750000 P\n0.872541 0.627459 0.250000 P\n0.372541 0.127459 0.250000 P\n0.127459 0.372541 0.750000 P\n0.707952 0.743197 0.059589 H\n0.743197 0.707952 0.940411 H\n0.243197 0.207952 0.559589 H\n0.207952 0.243197 0.440411 H\n0.292048 0.256803 0.940411 H\n0.256803 0.292048 0.059589 H\n0.756803 0.792048 0.440411 H\n0.792048 0.756803 0.559589 H\n0.237620 0.930514 0.032237 H\n0.930514 0.237620 0.967763 H\n0.430514 0.737620 0.532237 H\n0.737620 0.430514 0.467763 H\n0.762380 0.069486 0.967763 H\n0.069486 0.762380 0.032237 H\n0.569486 0.262380 0.467763 H\n0.262380 0.569486 0.532237 H\n0.815280 0.867176 0.825597 O\n0.867176 0.815280 0.174403 O\n0.367176 0.315280 0.325597 O\n0.315280 0.367176 0.674403 O\n0.184720 0.132824 0.174403 O\n0.132824 0.184720 0.825597 O\n0.632824 0.684720 0.674403 O\n0.684720 0.632824 0.325597 O\n0.108334 0.891666 0.665113 O\n0.891666 0.108334 0.334887 O\n0.391666 0.608334 0.165113 O\n0.608334 0.391666 0.834887 O\n0.431518 0.864795 0.818109 O\n0.864795 0.431518 0.181891 O\n0.364795 0.931518 0.318109 O\n0.931518 0.364795 0.681891 O\n0.568482 0.135205 0.181891 O\n0.135205 0.568482 0.818109 O\n0.635205 0.068482 0.681891 O\n0.068482 0.635205 0.318109 O\n0.661691 0.661691 0.000000 O\n0.161691 0.161691 0.500000 O\n0.338309 0.338309 0.000000 O\n0.838309 0.838309 0.500000 O\n0.171572 0.828428 0.987286 O\n0.828428 0.171572 0.012714 O\n0.328428 0.671572 0.487286 O\n0.671572 0.328428 0.512714 O\n",
            "nsites": 56,
            "nelements": 5,
            "elements": [
                "Li",
                "V",
                "P",
                "H",
                "O"
            ],
            "chemical_system": "H-Li-O-P-V",
            "density": 2.504794871102724,
            "density_atomic": 0.10307264871058107,
            "volume": 543.3061117624237,
            "volume_molar": 5.842617644288584,
            "formula_full": "Li4 V4 P4 H16 O28",
            "formula_reduced": "LiVPH4O7",
            "formula_anonymous": "ABCD4E7",
            "energy": -372.46017228,
            "energy_per_atom": -6.6510745049999995,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -346.42417228,
            "band_gap": 2.56,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.9994772,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.313000Z",
            "spacegroup": 64
        },
        {
            "id": "mp-1198238",
            "created_at": "2022-09-04T14:47:29.249075Z",
            "structure_string": "Er6 Co30 Si18\n1.0\n7.313489 -12.667335 0.000000\n7.313489 12.667335 0.000000\n0.000000 0.000000 3.662204\nEr Co Si\n6 30 18\ndirect\n0.294057 0.899466 0.750000 Er\n0.100534 0.394592 0.750000 Er\n0.605408 0.705943 0.750000 Er\n0.705943 0.100534 0.250000 Er\n0.899466 0.605408 0.250000 Er\n0.394592 0.294057 0.250000 Er\n0.427757 0.774914 0.750000 Co\n0.225086 0.652843 0.750000 Co\n0.347157 0.572243 0.750000 Co\n0.572243 0.225086 0.250000 Co\n0.774914 0.347157 0.250000 Co\n0.652843 0.427757 0.250000 Co\n0.533674 0.074204 0.750000 Co\n0.925796 0.459470 0.750000 Co\n0.540530 0.466326 0.750000 Co\n0.466326 0.925796 0.250000 Co\n0.074204 0.540530 0.250000 Co\n0.459470 0.533674 0.250000 Co\n0.049213 0.781207 0.750000 Co\n0.218793 0.268006 0.750000 Co\n0.731994 0.950787 0.750000 Co\n0.950787 0.218793 0.250000 Co\n0.781207 0.731994 0.250000 Co\n0.268006 0.049213 0.250000 Co\n0.734795 0.586457 0.750000 Co\n0.413543 0.148338 0.750000 Co\n0.851662 0.265205 0.750000 Co\n0.265205 0.413543 0.250000 Co\n0.586457 0.851662 0.250000 Co\n0.148338 0.734795 0.250000 Co\n0.100321 0.971504 0.750000 Co\n0.028496 0.128817 0.750000 Co\n0.871183 0.899679 0.750000 Co\n0.899679 0.028496 0.250000 Co\n0.971504 0.871183 0.250000 Co\n0.128817 0.100321 0.250000 Co\n0.681783 0.238569 0.750000 Si\n0.761431 0.443214 0.750000 Si\n0.556786 0.318217 0.750000 Si\n0.318217 0.761431 0.250000 Si\n0.238569 0.556786 0.250000 Si\n0.443214 0.681783 0.250000 Si\n0.882621 0.751611 0.750000 Si\n0.248389 0.131010 0.750000 Si\n0.868990 0.117379 0.750000 Si\n0.117379 0.248389 0.250000 Si\n0.751611 0.868990 0.250000 Si\n0.131010 0.882621 0.250000 Si\n0.062305 0.630305 0.750000 Si\n0.369695 0.432000 0.750000 Si\n0.568000 0.937695 0.750000 Si\n0.937695 0.369695 0.250000 Si\n0.630305 0.568000 0.250000 Si\n0.432000 0.062305 0.250000 Si\n",
            "nsites": 54,
            "nelements": 3,
            "elements": [
                "Er",
                "Co",
                "Si"
            ],
            "chemical_system": "Co-Er-Si",
            "density": 8.019640805149908,
            "density_atomic": 0.07958136114182215,
            "volume": 678.5508468970072,
            "volume_molar": 7.567275394131457,
            "formula_full": "Er6 Co30 Si18",
            "formula_reduced": "ErCo5Si3",
            "formula_anonymous": "AB3C5",
            "energy": -370.53884383,
            "energy_per_atom": -6.861830441296297,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -371.81684383,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 0.0500717,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:10.581000Z",
            "spacegroup": 176
        },
        {
            "id": "mp-560035",
            "created_at": "2022-09-04T14:47:29.252555Z",
            "structure_string": "Tl4 Ni7 P6 O24\n1.0\n7.228515 5.424203 0.000000\n-7.228515 5.424203 0.000000\n0.000000 1.571158 6.597808\nTl Ni P O\n4 7 6 24\ndirect\n0.302060 0.302060 0.495380 Tl\n0.735521 0.506439 0.466885 Tl\n0.918145 0.918145 0.520707 Tl\n0.506439 0.735521 0.466885 Tl\n0.999331 0.999331 0.000317 Ni\n0.362502 0.983120 0.174424 Ni\n0.030389 0.637886 0.814619 Ni\n0.382329 0.622803 0.990409 Ni\n0.983120 0.362502 0.174424 Ni\n0.637886 0.030389 0.814619 Ni\n0.622803 0.382329 0.990409 Ni\n0.304632 0.304632 0.988656 P\n0.116496 0.715817 0.266743 P\n0.715817 0.116496 0.266743 P\n0.284251 0.898993 0.727021 P\n0.700376 0.700376 0.991129 P\n0.898993 0.284251 0.727021 P\n0.989332 0.397865 0.853750 O\n0.190321 0.190321 0.895921 O\n0.661615 0.045330 0.492278 O\n0.398567 0.220536 0.120465 O\n0.023786 0.603124 0.139602 O\n0.435613 0.435613 0.830261 O\n0.277965 0.718244 0.773267 O\n0.220536 0.398567 0.120465 O\n0.891306 0.119851 0.198841 O\n0.609130 0.789824 0.861560 O\n0.333353 0.969140 0.500866 O\n0.728563 0.296759 0.214925 O\n0.789824 0.609130 0.861560 O\n0.563540 0.563540 0.136279 O\n0.806538 0.806538 0.102616 O\n0.045330 0.661615 0.492278 O\n0.397865 0.989332 0.853750 O\n0.296759 0.728563 0.214925 O\n0.603124 0.023786 0.139602 O\n0.885875 0.107435 0.799814 O\n0.969140 0.333353 0.500866 O\n0.119851 0.891306 0.198841 O\n0.718244 0.277965 0.773267 O\n0.107435 0.885875 0.799814 O\n",
            "nsites": 41,
            "nelements": 4,
            "elements": [
                "Tl",
                "Ni",
                "P",
                "O"
            ],
            "chemical_system": "Ni-O-P-Tl",
            "density": 5.771332092456188,
            "density_atomic": 0.079244506789479,
            "volume": 517.3860203196244,
            "volume_molar": 7.5994425405390205,
            "formula_full": "Tl4 Ni7 P6 O24",
            "formula_reduced": "Tl4Ni7(PO4)6",
            "formula_anonymous": "A4B6C7D24",
            "energy": -285.16174795,
            "energy_per_atom": -6.955164584146342,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -250.88674795000003,
            "band_gap": 2.732,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 13.9998622,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:08.976000Z",
            "spacegroup": 8
        },
        {
            "id": "mp-1104802",
            "created_at": "2022-09-04T14:47:25.283604Z",
            "structure_string": "Cr4 Fe2 O8\n1.0\n2.951405 0.000000 0.000000\n-1.475702 4.868372 0.000000\n0.000000 0.000000 9.860233\nCr Fe O\n4 2 8\ndirect\n0.367198 0.734396 0.428128 Cr\n0.632802 0.265604 0.571872 Cr\n0.367198 0.734396 0.071872 Cr\n0.632802 0.265604 0.928128 Cr\n0.115055 0.230110 0.250000 Fe\n0.884945 0.769890 0.750000 Fe\n0.000000 0.000000 0.500000 O\n0.000000 0.000000 0.000000 O\n0.462852 0.925705 0.250000 O\n0.537148 0.074295 0.750000 O\n0.268254 0.536507 0.888241 O\n0.731746 0.463493 0.111759 O\n0.268254 0.536507 0.611759 O\n0.731746 0.463493 0.388241 O\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Cr",
                "Fe",
                "O"
            ],
            "chemical_system": "Cr-Fe-O",
            "density": 5.2469504016122155,
            "density_atomic": 0.09881623287851929,
            "volume": 141.6771272510564,
            "volume_molar": 6.094282876987811,
            "formula_full": "Cr4 Fe2 O8",
            "formula_reduced": "Cr2FeO4",
            "formula_anonymous": "AB2C4",
            "energy": -123.84181468,
            "energy_per_atom": -8.845843905714286,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -105.83781468,
            "band_gap": 1.5987,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 19.9998881,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:13.173000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-1198166",
            "created_at": "2022-09-04T14:47:27.933731Z",
            "structure_string": "Na8 Mn4 P8 O28\n1.0\n-1.097620 5.824043 3.100507\n7.444302 5.792041 -2.205660\n-1.120033 5.767037 -9.544897\nNa Mn P O\n8 4 8 28\ndirect\n0.601623 0.860769 0.657180 Na\n0.419801 0.139568 0.345038 Na\n0.182004 0.852341 0.103247 Na\n0.759632 0.146534 0.863391 Na\n0.969277 0.176504 0.525702 Na\n0.033193 0.819115 0.475655 Na\n0.410518 0.516218 0.023954 Na\n0.864444 0.483013 0.952219 Na\n0.655109 0.489507 0.273009 Mn\n0.728863 0.887957 0.221090 Mn\n0.349636 0.504052 0.734404 Mn\n0.271966 0.105679 0.787042 Mn\n0.942428 0.170369 0.216598 P\n0.573227 0.702455 0.462104 P\n0.303656 0.188303 0.043513 P\n0.868405 0.456020 0.688937 P\n0.069704 0.822234 0.790605 P\n0.420047 0.290975 0.545472 P\n0.709697 0.803392 0.960312 P\n0.131441 0.538695 0.316567 P\n0.090429 0.264955 0.102069 O\n0.362321 0.335202 0.943603 O\n0.248543 0.091721 0.979584 O\n0.458677 0.086301 0.162969 O\n0.739130 0.307192 0.191490 O\n0.058592 0.100335 0.350347 O\n0.918427 0.043065 0.176831 O\n0.761483 0.541778 0.540001 O\n0.557755 0.703085 0.324823 O\n0.646105 0.846663 0.447379 O\n0.381239 0.688219 0.542140 O\n0.690874 0.467977 0.783667 O\n0.969081 0.283499 0.709374 O\n0.019389 0.544719 0.695679 O\n0.926584 0.722019 0.905366 O\n0.636494 0.658068 0.049601 O\n0.566278 0.918481 0.837212 O\n0.769054 0.890859 0.031734 O\n0.274804 0.692088 0.806484 O\n0.948821 0.898477 0.657581 O\n0.094348 0.942931 0.838988 O\n0.235720 0.452331 0.467662 O\n0.340964 0.147179 0.567088 O\n0.611089 0.296484 0.462545 O\n0.446821 0.291947 0.681417 O\n0.029861 0.710749 0.296740 O\n0.314376 0.527335 0.225468 O\n0.979970 0.449836 0.312222 O\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "Na",
                "Mn",
                "P",
                "O"
            ],
            "chemical_system": "Mn-Na-O-P",
            "density": 2.906382283880514,
            "density_atomic": 0.07641381982176532,
            "volume": 628.1586251277538,
            "volume_molar": 7.880957625265431,
            "formula_full": "Na8 Mn4 P8 O28",
            "formula_reduced": "Na2MnP2O7",
            "formula_anonymous": "AB2C2D7",
            "energy": -354.00164413,
            "energy_per_atom": -7.375034252708333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -328.09364413,
            "band_gap": 3.495,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.0023791,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.873000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1197224",
            "created_at": "2022-09-04T14:47:29.259529Z",
            "structure_string": "Ca2 B11 O22\n1.0\n-3.434413 -5.660230 0.149610\n3.139786 -5.619170 1.421692\n-0.086951 0.092514 10.358967\nCa B O\n2 11 22\ndirect\n0.009470 0.994567 0.989902 Ca\n0.552330 0.888442 0.220233 Ca\n0.892737 0.592654 0.978002 B\n0.435206 0.482231 0.236889 B\n0.302098 0.352658 0.926976 B\n0.861341 0.206335 0.276918 B\n0.052669 0.771343 0.295210 B\n0.493942 0.928223 0.919740 B\n0.132900 0.377751 0.262253 B\n0.579284 0.511973 0.945271 B\n0.362051 0.241837 0.716041 B\n0.977578 0.938300 0.494926 B\n0.623716 0.641230 0.574950 B\n0.866680 0.008263 0.227141 O\n0.269789 0.719033 0.225707 O\n0.326231 0.113474 0.984292 O\n0.976244 0.602252 0.273906 O\n0.370825 0.306780 0.259060 O\n0.078537 0.210761 0.244560 O\n0.529530 0.333189 0.957093 O\n0.730633 0.817717 0.995229 O\n0.117914 0.540064 0.985123 O\n0.655848 0.435474 0.218890 O\n0.418198 0.747361 0.934803 O\n0.819801 0.434934 0.960146 O\n0.241128 0.416742 0.783157 O\n0.863244 0.167818 0.422849 O\n0.513916 0.011169 0.780956 O\n0.094422 0.748241 0.436779 O\n0.677714 0.526900 0.697844 O\n0.955674 0.896147 0.631134 O\n0.622390 0.629239 0.441961 O\n0.512332 0.871626 0.492251 O\n0.332441 0.282189 0.579961 O\n0.905286 0.150482 0.741479 O\n",
            "nsites": 35,
            "nelements": 3,
            "elements": [
                "Ca",
                "B",
                "O"
            ],
            "chemical_system": "B-Ca-O",
            "density": 2.3759632690312382,
            "density_atomic": 0.09087758691596487,
            "volume": 385.13346566260327,
            "volume_molar": 6.626651261733782,
            "formula_full": "Ca2 B11 O22",
            "formula_reduced": "Ca2(BO2)11",
            "formula_anonymous": "A2B11C22",
            "energy": -268.27580544,
            "energy_per_atom": -7.665023012571429,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -258.04580544,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 3.0000106,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:12.433000Z",
            "spacegroup": 1
        },
        {
            "id": "mp-1018744",
            "created_at": "2022-09-04T14:47:25.771113Z",
            "structure_string": "La2 Pb2 Au2\n1.0\n2.453616 -4.249787 0.000000\n2.453616 4.249787 0.000000\n0.000000 0.000000 8.060456\nLa Pb Au\n2 2 2\ndirect\n0.000000 0.000000 0.500000 La\n0.000000 0.000000 0.000000 La\n0.333333 0.666667 0.750000 Pb\n0.666667 0.333333 0.250000 Pb\n0.333333 0.666667 0.250000 Au\n0.666667 0.333333 0.750000 Au\n",
            "nsites": 6,
            "nelements": 3,
            "elements": [
                "La",
                "Pb",
                "Au"
            ],
            "chemical_system": "Au-La-Pb",
            "density": 10.729344010460105,
            "density_atomic": 0.035693397160399244,
            "volume": 168.0983172612334,
            "volume_molar": 16.871862134438086,
            "formula_full": "La2 Pb2 Au2",
            "formula_reduced": "LaPbAu",
            "formula_anonymous": "ABC",
            "energy": -27.68743956,
            "energy_per_atom": -4.61457326,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -27.68743956,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0020787,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.638000Z",
            "spacegroup": 194
        },
        {
            "id": "mp-30157",
            "created_at": "2022-09-04T14:47:25.140622Z",
            "structure_string": "Dy12 S8 Cl20\n1.0\n6.387042 0.000000 0.000000\n0.000000 6.816236 0.000000\n0.000000 0.000000 21.814458\nDy S Cl\n12 8 20\ndirect\n0.049112 0.380015 0.401901 Dy\n0.549112 0.119985 0.598099 Dy\n0.450888 0.880015 0.098099 Dy\n0.950888 0.619985 0.901901 Dy\n0.950888 0.619985 0.598099 Dy\n0.450888 0.880015 0.401901 Dy\n0.549112 0.119985 0.901901 Dy\n0.049112 0.380015 0.098099 Dy\n0.550408 0.537464 0.750000 Dy\n0.050408 0.962536 0.250000 Dy\n0.949592 0.037464 0.750000 Dy\n0.449592 0.462536 0.250000 Dy\n0.808294 0.328569 0.672330 S\n0.308294 0.171431 0.172330 S\n0.808294 0.328569 0.827670 S\n0.191706 0.671431 0.327670 S\n0.691706 0.828569 0.672330 S\n0.691706 0.828569 0.827670 S\n0.191706 0.671431 0.172330 S\n0.308294 0.171431 0.327670 S\n0.154544 0.682385 0.750000 Cl\n0.654544 0.817615 0.250000 Cl\n0.345456 0.182386 0.750000 Cl\n0.845456 0.317615 0.250000 Cl\n0.834891 0.038733 0.117387 Cl\n0.834891 0.038733 0.382613 Cl\n0.334891 0.461267 0.882613 Cl\n0.665109 0.538733 0.382613 Cl\n0.165109 0.961267 0.617387 Cl\n0.165109 0.961267 0.882613 Cl\n0.665109 0.538733 0.117387 Cl\n0.334891 0.461267 0.617387 Cl\n0.323329 0.167627 0.020185 Cl\n0.823329 0.332373 0.979815 Cl\n0.176671 0.667627 0.479815 Cl\n0.676671 0.832373 0.520185 Cl\n0.676671 0.832373 0.979815 Cl\n0.176671 0.667627 0.020185 Cl\n0.823329 0.332373 0.520185 Cl\n0.323329 0.167627 0.479815 Cl\n",
            "nsites": 40,
            "nelements": 3,
            "elements": [
                "Dy",
                "S",
                "Cl"
            ],
            "chemical_system": "Cl-Dy-S",
            "density": 5.097828749403084,
            "density_atomic": 0.042118332969617506,
            "volume": 949.7052038800874,
            "volume_molar": 14.29814604567596,
            "formula_full": "Dy12 S8 Cl20",
            "formula_reduced": "Dy3S2Cl5",
            "formula_anonymous": "A2B3C5",
            "energy": -228.92872049,
            "energy_per_atom": -5.723218012249999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -212.62472049,
            "band_gap": 3.2556000000000003,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 1.95e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:10.679000Z",
            "spacegroup": 62
        },
        {
            "id": "mp-1106166",
            "created_at": "2022-09-04T14:47:25.778099Z",
            "structure_string": "Li2 Ga2 P2 O10\n1.0\n-5.518099 0.739775 -2.720407\n-0.047079 4.410632 1.100521\n4.429726 1.030977 -5.317545\nLi Ga P O\n2 2 2 10\ndirect\n0.842320 0.478765 0.313045 Li\n0.157680 0.521235 0.686955 Li\n0.000000 0.000000 0.000000 Ga\n0.500000 0.000000 0.500000 Ga\n0.331673 0.560987 0.258171 P\n0.668327 0.439013 0.741829 P\n0.566471 0.704881 0.309356 O\n0.433529 0.295119 0.690644 O\n0.217557 0.703220 0.422109 O\n0.782443 0.296780 0.577891 O\n0.200075 0.633242 0.053990 O\n0.799925 0.366758 0.946010 O\n0.355924 0.222996 0.267928 O\n0.644076 0.777004 0.732072 O\n0.912520 0.037054 0.231912 O\n0.087480 0.962946 0.768088 O\n",
            "nsites": 16,
            "nelements": 4,
            "elements": [
                "Li",
                "Ga",
                "P",
                "O"
            ],
            "chemical_system": "Ga-Li-O-P",
            "density": 3.2390730911458543,
            "density_atomic": 0.0831664831639227,
            "volume": 192.38519402658522,
            "volume_molar": 7.2410669910500465,
            "formula_full": "Li2 Ga2 P2 O10",
            "formula_reduced": "LiGaPO5",
            "formula_anonymous": "ABCD5",
            "energy": -104.61195624,
            "energy_per_atom": -6.538247265,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -97.74195624,
            "band_gap": 0.6779999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 2.0003826,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:05.684000Z",
            "spacegroup": 2
        },
        {
            "id": "mp-23361",
            "created_at": "2022-09-04T14:47:25.779314Z",
            "structure_string": "Li5 Cr1 Cl8\n1.0\n3.664574 -5.136382 0.000000\n3.664574 5.136382 0.000000\n0.000000 0.000000 7.295894\nLi Cr Cl\n5 1 8\ndirect\n0.500000 0.000000 0.233173 Li\n0.000000 0.500000 0.766827 Li\n0.500000 0.000000 0.766827 Li\n0.000000 0.500000 0.233173 Li\n0.500000 0.500000 0.000000 Li\n0.500000 0.500000 0.500000 Cr\n0.272339 0.272339 0.270023 Cl\n0.727661 0.727661 0.270023 Cl\n0.269310 0.730690 0.500000 Cl\n0.272339 0.272339 0.729977 Cl\n0.727661 0.727661 0.729977 Cl\n0.252761 0.747239 0.000000 Cl\n0.730690 0.269310 0.500000 Cl\n0.747239 0.252761 0.000000 Cl\n",
            "nsites": 14,
            "nelements": 3,
            "elements": [
                "Li",
                "Cr",
                "Cl"
            ],
            "chemical_system": "Cl-Cr-Li",
            "density": 2.2389424141869836,
            "density_atomic": 0.050972826111432494,
            "volume": 274.6561465788532,
            "volume_molar": 11.814414109264618,
            "formula_full": "Li5 Cr1 Cl8",
            "formula_reduced": "Li5CrCl8",
            "formula_anonymous": "AB5C8",
            "energy": -61.57191436,
            "energy_per_atom": -4.3979938828571425,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -56.65991436,
            "band_gap": 1.7483,
            "is_gap_direct": true,
            "is_magnetic": true,
            "total_magnetization": 2.9997608,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:10.501000Z",
            "spacegroup": 65
        },
        {
            "id": "mp-819",
            "created_at": "2022-09-04T14:47:29.282899Z",
            "structure_string": "Hf2 Cr4\n1.0\n0.000000 3.547373 3.547373\n3.547373 0.000000 3.547373\n3.547373 3.547373 0.000000\nHf Cr\n2 4\ndirect\n0.500000 0.500000 0.500000 Hf\n0.750000 0.750000 0.750000 Hf\n0.125000 0.125000 0.125000 Cr\n0.625000 0.125000 0.125000 Cr\n0.125000 0.625000 0.125000 Cr\n0.125000 0.125000 0.625000 Cr\n",
            "nsites": 6,
            "nelements": 2,
            "elements": [
                "Hf",
                "Cr"
            ],
            "chemical_system": "Cr-Hf",
            "density": 10.507989154066477,
            "density_atomic": 0.06720486085021647,
            "volume": 89.27925635278916,
            "volume_molar": 8.960870811743677,
            "formula_full": "Hf2 Cr4",
            "formula_reduced": "HfCr2",
            "formula_anonymous": "AB2",
            "energy": -59.14744569,
            "energy_per_atom": -9.857907615,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -59.14744569,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0006337,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:38:13.088000Z",
            "spacegroup": 227
        }
    ]
}