GET /third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=8
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=9",
    "previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=7",
    "results": [
        {
            "id": "mp-3611",
            "created_at": "2022-09-04T14:40:14.756949Z",
            "structure_string": "Dy4 Hf4 O14\n1.0\n0.000000 5.252801 5.252801\n5.252801 0.000000 5.252801\n5.252801 5.252801 0.000000\nDy Hf O\n4 4 14\ndirect\n0.125000 0.625000 0.125000 Dy\n0.125000 0.125000 0.625000 Dy\n0.625000 0.125000 0.125000 Dy\n0.125000 0.125000 0.125000 Dy\n0.625000 0.125000 0.625000 Hf\n0.625000 0.625000 0.125000 Hf\n0.125000 0.625000 0.625000 Hf\n0.625000 0.625000 0.625000 Hf\n0.000000 0.000000 0.000000 O\n0.250000 0.250000 0.250000 O\n0.286970 0.286970 0.713030 O\n0.536970 0.536970 0.963030 O\n0.713030 0.286970 0.713030 O\n0.713030 0.286970 0.286970 O\n0.286970 0.713030 0.713030 O\n0.286970 0.713030 0.286970 O\n0.713030 0.713030 0.286970 O\n0.963030 0.536970 0.536970 O\n0.536970 0.963030 0.963030 O\n0.963030 0.963030 0.536970 O\n0.963030 0.536970 0.963030 O\n0.536970 0.963030 0.536970 O\n",
            "nsites": 22,
            "nelements": 3,
            "elements": [
                "Dy",
                "Hf",
                "O"
            ],
            "chemical_system": "Dy-Hf-O",
            "density": 9.09669259483665,
            "density_atomic": 0.07589616661242826,
            "volume": 289.86971255538253,
            "volume_molar": 7.934710050314786,
            "formula_full": "Dy4 Hf4 O14",
            "formula_reduced": "Dy2Hf2O7",
            "formula_anonymous": "A2B2C7",
            "energy": -215.84704301,
            "energy_per_atom": -9.811229227727273,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -206.22904301,
            "band_gap": 3.2281,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0012535,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:52.078000Z",
            "spacegroup": 227
        },
        {
            "id": "mp-23634",
            "created_at": "2022-09-04T14:40:15.122591Z",
            "structure_string": "K8 Sb8 Cl8 F24\n1.0\n8.032679 0.000000 0.000000\n0.000000 8.258637 0.000000\n0.000000 0.000000 15.099326\nK Sb Cl F\n8 8 8 24\ndirect\n0.681587 0.195691 0.057429 K\n0.181587 0.304309 0.942571 K\n0.318413 0.695691 0.442571 K\n0.818413 0.804309 0.557429 K\n0.181587 0.195691 0.442571 K\n0.818413 0.695691 0.057429 K\n0.681587 0.304309 0.557429 K\n0.318413 0.804309 0.942571 K\n0.629997 0.004730 0.324535 Sb\n0.129997 0.495270 0.675465 Sb\n0.370003 0.504730 0.175465 Sb\n0.870003 0.995270 0.824535 Sb\n0.370003 0.995270 0.675465 Sb\n0.870003 0.504730 0.324535 Sb\n0.629997 0.495270 0.824535 Sb\n0.129997 0.004730 0.175465 Sb\n0.018394 0.376979 0.150592 Cl\n0.018394 0.123021 0.650592 Cl\n0.481606 0.876979 0.150592 Cl\n0.981606 0.623021 0.849408 Cl\n0.481606 0.623021 0.650592 Cl\n0.981606 0.876979 0.349408 Cl\n0.518394 0.123021 0.849408 Cl\n0.518394 0.376979 0.349408 Cl\n0.892570 0.271109 0.354214 F\n0.392570 0.228891 0.645786 F\n0.107430 0.771109 0.145786 F\n0.607430 0.728891 0.854214 F\n0.107430 0.728891 0.645786 F\n0.607430 0.771109 0.354214 F\n0.892570 0.228891 0.854214 F\n0.392570 0.271109 0.145786 F\n0.614768 0.504979 0.151035 F\n0.114768 0.995021 0.848965 F\n0.385232 0.004979 0.348965 F\n0.885232 0.495021 0.651035 F\n0.385232 0.495021 0.848965 F\n0.885232 0.004979 0.151035 F\n0.614768 0.995021 0.651035 F\n0.164383 0.038681 0.046115 F\n0.664383 0.038681 0.453885 F\n0.164383 0.461319 0.546115 F\n0.335617 0.538681 0.046115 F\n0.835617 0.961319 0.953885 F\n0.335617 0.961319 0.546115 F\n0.835617 0.538681 0.453885 F\n0.664383 0.461319 0.953885 F\n0.114768 0.504979 0.348965 F\n",
            "nsites": 48,
            "nelements": 4,
            "elements": [
                "K",
                "Sb",
                "Cl",
                "F"
            ],
            "chemical_system": "Cl-F-K-Sb",
            "density": 3.359379623261335,
            "density_atomic": 0.04791978776185421,
            "volume": 1001.6738855051783,
            "volume_molar": 12.567127362767309,
            "formula_full": "K8 Sb8 Cl8 F24",
            "formula_reduced": "KSbClF3",
            "formula_anonymous": "ABCD3",
            "energy": -226.28699216,
            "energy_per_atom": -4.714312336666667,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -210.28699216,
            "band_gap": 4.367900000000001,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0005046,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.686000Z",
            "spacegroup": 61
        },
        {
            "id": "mp-652407",
            "created_at": "2022-09-04T14:40:14.758111Z",
            "structure_string": "Ru12 C48 O48\n1.0\n15.054979 0.000000 0.000000\n0.000000 8.231489 0.000000\n0.000000 5.405008 14.477129\nRu C O\n12 48 48\ndirect\n0.525351 0.781182 0.778353 Ru\n0.080736 0.642876 0.159681 Ru\n0.974649 0.781182 0.278353 Ru\n0.025351 0.218818 0.721647 Ru\n0.419264 0.642876 0.659681 Ru\n0.831541 0.234341 0.704363 Ru\n0.580736 0.357124 0.340319 Ru\n0.919264 0.357124 0.840319 Ru\n0.474649 0.218818 0.221647 Ru\n0.668459 0.234341 0.204363 Ru\n0.168459 0.765659 0.295637 Ru\n0.331541 0.765659 0.795637 Ru\n0.158088 0.530238 0.384591 C\n0.182022 0.857126 0.393954 C\n0.513253 0.010967 0.685019 C\n0.049423 0.118591 0.628407 C\n0.980263 0.599629 0.093984 C\n0.986747 0.010967 0.185019 C\n0.825067 0.002354 0.797418 C\n0.214500 0.716135 0.764995 C\n0.860693 0.749264 0.232047 C\n0.470198 0.451960 0.130001 C\n0.317978 0.857126 0.893954 C\n0.927945 0.587828 0.745917 C\n0.658088 0.469762 0.115409 C\n0.595710 0.123731 0.428936 C\n0.950577 0.881409 0.371593 C\n0.785500 0.283865 0.235005 C\n0.139307 0.250736 0.767953 C\n0.360693 0.250736 0.267953 C\n0.013253 0.989033 0.814981 C\n0.674933 0.002354 0.297418 C\n0.519737 0.599629 0.593984 C\n0.970198 0.548040 0.369999 C\n0.529802 0.548040 0.869999 C\n0.817978 0.142874 0.606046 C\n0.681839 0.431056 0.392261 C\n0.572055 0.587828 0.245917 C\n0.549423 0.881409 0.871593 C\n0.181839 0.568944 0.107739 C\n0.480263 0.400371 0.406016 C\n0.285500 0.716135 0.264995 C\n0.841912 0.469762 0.615409 C\n0.325067 0.997646 0.702582 C\n0.904290 0.123731 0.928936 C\n0.486747 0.989033 0.314981 C\n0.427945 0.412172 0.754083 C\n0.174933 0.997646 0.202582 C\n0.095710 0.876269 0.071064 C\n0.072055 0.412172 0.254083 C\n0.639307 0.749264 0.732047 C\n0.714500 0.283865 0.735005 C\n0.029802 0.451960 0.630001 C\n0.318161 0.568944 0.607739 C\n0.404290 0.876269 0.571064 C\n0.682022 0.142874 0.106046 C\n0.019737 0.400371 0.906016 C\n0.450577 0.118591 0.128407 C\n0.341912 0.530238 0.884591 C\n0.818161 0.431056 0.892261 C\n0.812041 0.863656 0.849372 O\n0.984897 0.151543 0.131901 O\n0.568121 0.731679 0.197695 O\n0.312041 0.136344 0.650628 O\n0.434332 0.052894 0.075265 O\n0.755823 0.473162 0.923233 O\n0.894168 0.993604 0.989719 O\n0.565668 0.947106 0.924735 O\n0.419674 0.428318 0.445197 O\n0.515103 0.151543 0.631901 O\n0.355992 0.687541 0.243513 O\n0.244177 0.526838 0.076767 O\n0.580326 0.571682 0.554803 O\n0.162844 0.393533 0.440231 O\n0.791851 0.727207 0.204025 O\n0.744177 0.473162 0.423233 O\n0.193491 0.910930 0.453036 O\n0.208149 0.272793 0.795975 O\n0.015103 0.848457 0.868099 O\n0.693491 0.089070 0.046964 O\n0.187959 0.136344 0.150628 O\n0.068121 0.268321 0.302305 O\n0.662844 0.606467 0.059769 O\n0.605832 0.993604 0.489719 O\n0.306509 0.910930 0.953036 O\n0.458445 0.585109 0.072557 O\n0.934332 0.947106 0.424735 O\n0.837156 0.606467 0.559769 O\n0.708149 0.727207 0.704025 O\n0.291851 0.272793 0.295975 O\n0.958445 0.414891 0.427443 O\n0.687959 0.863656 0.349372 O\n0.144008 0.687541 0.743513 O\n0.931879 0.731679 0.697695 O\n0.431879 0.268321 0.802305 O\n0.484897 0.848457 0.368099 O\n0.855992 0.312459 0.256487 O\n0.337156 0.393533 0.940231 O\n0.255823 0.526838 0.576767 O\n0.919674 0.571682 0.054803 O\n0.806509 0.089070 0.546964 O\n0.080326 0.428318 0.945197 O\n0.041555 0.585109 0.572557 O\n0.065668 0.052894 0.575265 O\n0.105832 0.006396 0.010281 O\n0.644008 0.312459 0.756487 O\n0.394168 0.006396 0.510281 O\n0.541555 0.414891 0.927443 O\n",
            "nsites": 108,
            "nelements": 3,
            "elements": [
                "Ru",
                "C",
                "O"
            ],
            "chemical_system": "C-O-Ru",
            "density": 2.3669767241628934,
            "density_atomic": 0.06019809597340509,
            "volume": 1794.076677237654,
            "volume_molar": 10.003872485702075,
            "formula_full": "Ru12 C48 O48",
            "formula_reduced": "Ru(CO)4",
            "formula_anonymous": "AB4C4",
            "energy": -895.2924004800001,
            "energy_per_atom": -8.28974444888889,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -862.31640048,
            "band_gap": 2.5866,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.1618791,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:51.602000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-1078980",
            "created_at": "2022-09-04T14:40:14.946266Z",
            "structure_string": "Eu4 Zn2 P4\n1.0\n2.073640 -7.893337 0.000000\n2.073640 7.893337 0.000000\n0.000000 0.000000 7.244623\nEu Zn P\n4 2 4\ndirect\n0.705521 0.294479 0.466571 Eu\n0.294479 0.705521 0.966571 Eu\n0.535624 0.464376 0.798451 Eu\n0.464376 0.535624 0.298451 Eu\n0.905536 0.094464 0.649871 Zn\n0.094464 0.905536 0.149871 Zn\n0.938941 0.061059 0.000753 P\n0.061059 0.938941 0.500753 P\n0.667875 0.332125 0.071043 P\n0.332125 0.667875 0.571043 P\n",
            "nsites": 10,
            "nelements": 3,
            "elements": [
                "Eu",
                "Zn",
                "P"
            ],
            "chemical_system": "Eu-P-Zn",
            "density": 6.039530443857628,
            "density_atomic": 0.042165786674256966,
            "volume": 237.15909956223334,
            "volume_molar": 14.282054800786236,
            "formula_full": "Eu4 Zn2 P4",
            "formula_reduced": "Eu2ZnP2",
            "formula_anonymous": "AB2C2",
            "energy": -75.25088011,
            "energy_per_atom": -7.525088010999999,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -75.25088011,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 27.9961274,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:51.150000Z",
            "spacegroup": 36
        },
        {
            "id": "mp-1018107",
            "created_at": "2022-09-04T14:40:14.725061Z",
            "structure_string": "Zr1 Te2\n1.0\n1.992100 -3.450418 0.000000\n1.992100 3.450418 0.000000\n0.000000 0.000000 6.995566\nZr Te\n1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.666667 0.333333 0.743282 Te\n0.333333 0.666667 0.256718 Te\n",
            "nsites": 3,
            "nelements": 2,
            "elements": [
                "Zr",
                "Te"
            ],
            "chemical_system": "Te-Zr",
            "density": 5.981655114979786,
            "density_atomic": 0.031195040550854577,
            "volume": 96.16913288217592,
            "volume_molar": 19.30480183278693,
            "formula_full": "Zr1 Te2",
            "formula_reduced": "ZrTe2",
            "formula_anonymous": "AB2",
            "energy": -18.320547360000003,
            "energy_per_atom": -6.106849120000001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -17.47654736,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0002235,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:56.636000Z",
            "spacegroup": 164
        },
        {
            "id": "mp-558502",
            "created_at": "2022-09-04T14:40:14.865689Z",
            "structure_string": "Fe4 Te4 O12 F4\n1.0\n5.181510 0.000000 0.000000\n0.000000 5.148906 0.000000\n0.000000 3.508187 12.423747\nFe Te O F\n4 4 12 4\ndirect\n0.757623 0.105568 0.929325 Fe\n0.242377 0.894432 0.070675 Fe\n0.257623 0.894432 0.570675 Fe\n0.742377 0.105568 0.429325 Fe\n0.804427 0.323630 0.170005 Te\n0.695573 0.323630 0.670005 Te\n0.304427 0.676370 0.329995 Te\n0.195573 0.676370 0.829995 Te\n0.394725 0.549042 0.662759 O\n0.936164 0.132030 0.069027 O\n0.916439 0.066540 0.298065 O\n0.605275 0.450958 0.337241 O\n0.063836 0.867970 0.930973 O\n0.894725 0.450958 0.837241 O\n0.416439 0.933460 0.201935 O\n0.105275 0.549042 0.162759 O\n0.563836 0.132030 0.569027 O\n0.436164 0.867970 0.430973 O\n0.083561 0.933460 0.701935 O\n0.583561 0.066540 0.798065 O\n0.435316 0.240811 0.985254 F\n0.564684 0.759189 0.014746 F\n0.064684 0.240811 0.485254 F\n0.935316 0.759189 0.514746 F\n",
            "nsites": 24,
            "nelements": 4,
            "elements": [
                "Fe",
                "Te",
                "O",
                "F"
            ],
            "chemical_system": "F-Fe-O-Te",
            "density": 5.018704916916735,
            "density_atomic": 0.07240813123740912,
            "volume": 331.45448708391166,
            "volume_molar": 8.316939903137158,
            "formula_full": "Fe4 Te4 O12 F4",
            "formula_reduced": "FeTeO3F",
            "formula_anonymous": "ABCD3",
            "energy": -157.75300775,
            "energy_per_atom": -6.573041989583333,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -138.63700775,
            "band_gap": 1.4996,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 20.003134,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:47.309000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-569385",
            "created_at": "2022-09-04T14:40:14.640156Z",
            "structure_string": "Dy2 Al4 Ni2\n1.0\n2.017309 -5.060471 0.000000\n2.017309 5.060471 0.000000\n0.000000 0.000000 6.821864\nDy Al Ni\n2 4 2\ndirect\n0.937609 0.062391 0.750000 Dy\n0.062391 0.937609 0.250000 Dy\n0.344642 0.655358 0.446217 Al\n0.655358 0.344642 0.946217 Al\n0.655358 0.344642 0.553783 Al\n0.344642 0.655358 0.053783 Al\n0.785603 0.214397 0.250000 Ni\n0.214397 0.785603 0.750000 Ni\n",
            "nsites": 8,
            "nelements": 3,
            "elements": [
                "Dy",
                "Al",
                "Ni"
            ],
            "chemical_system": "Al-Dy-Ni",
            "density": 6.560884833971205,
            "density_atomic": 0.05743724065090311,
            "volume": 139.28245697983775,
            "volume_molar": 10.484732016640343,
            "formula_full": "Dy2 Al4 Ni2",
            "formula_reduced": "DyAl2Ni",
            "formula_anonymous": "ABC2",
            "energy": -40.84999257,
            "energy_per_atom": -5.10624907125,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -40.84999257,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0004869,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:35:00.532000Z",
            "spacegroup": 63
        },
        {
            "id": "mp-608469",
            "created_at": "2022-09-04T14:40:15.204472Z",
            "structure_string": "Co8 C32 O32\n1.0\n15.350489 0.000000 0.000000\n0.000000 6.484003 0.000000\n0.000000 0.104590 11.086635\nCo C O\n8 32 32\ndirect\n0.666558 0.243677 0.552107 Co\n0.666718 0.752230 0.083219 Co\n0.333282 0.247770 0.916781 Co\n0.166558 0.756323 0.447893 Co\n0.166718 0.247770 0.916781 Co\n0.833282 0.752230 0.083219 Co\n0.833442 0.243677 0.552107 Co\n0.333442 0.756323 0.447893 Co\n0.602836 0.622663 0.194209 C\n0.613542 0.999568 0.073933 C\n0.750000 0.021241 0.569039 C\n0.897164 0.622663 0.194209 C\n0.866447 0.677327 0.934585 C\n0.383989 0.506641 0.442609 C\n0.127837 0.830423 0.301278 C\n0.604173 0.112573 0.441530 C\n0.113542 0.000432 0.926067 C\n0.102836 0.377337 0.805791 C\n0.116011 0.506641 0.442609 C\n0.750000 0.528424 0.073696 C\n0.250000 0.978759 0.430961 C\n0.104173 0.887427 0.558470 C\n0.133553 0.322673 0.065415 C\n0.872163 0.169577 0.698722 C\n0.750000 0.875247 0.192596 C\n0.627837 0.169577 0.698722 C\n0.883989 0.493359 0.557391 C\n0.886458 0.999568 0.073933 C\n0.372163 0.830423 0.301278 C\n0.250000 0.124753 0.807404 C\n0.386458 0.000432 0.926067 C\n0.366447 0.322673 0.065415 C\n0.895827 0.112573 0.441530 C\n0.395827 0.887427 0.558470 C\n0.633553 0.677327 0.934585 C\n0.750000 0.365553 0.441411 C\n0.250000 0.471576 0.926304 C\n0.397164 0.377337 0.805791 C\n0.616011 0.493359 0.557391 C\n0.250000 0.634447 0.558589 C\n0.078703 0.351724 0.443987 O\n0.612639 0.624440 0.839350 O\n0.573497 0.150673 0.071350 O\n0.061118 0.970774 0.628708 O\n0.561118 0.029226 0.371292 O\n0.421297 0.351724 0.443987 O\n0.750000 0.841285 0.586899 O\n0.058986 0.458708 0.734860 O\n0.398760 0.880892 0.207709 O\n0.601240 0.119108 0.792291 O\n0.250000 0.531862 0.647244 O\n0.921297 0.648276 0.556013 O\n0.250000 0.652518 0.938478 O\n0.250000 0.158715 0.413101 O\n0.250000 0.023851 0.719312 O\n0.112639 0.375560 0.160650 O\n0.438882 0.970774 0.628708 O\n0.941014 0.541292 0.265140 O\n0.558986 0.541292 0.265140 O\n0.750000 0.468138 0.352756 O\n0.441014 0.458708 0.734860 O\n0.101240 0.880892 0.207709 O\n0.926503 0.150673 0.071350 O\n0.578703 0.648276 0.556013 O\n0.898760 0.119108 0.792291 O\n0.938882 0.029226 0.371292 O\n0.426503 0.849327 0.928650 O\n0.750000 0.976149 0.280688 O\n0.750000 0.347482 0.061522 O\n0.387361 0.375560 0.160650 O\n0.887361 0.624440 0.839350 O\n0.073497 0.849327 0.928650 O\n",
            "nsites": 72,
            "nelements": 3,
            "elements": [
                "Co",
                "C",
                "O"
            ],
            "chemical_system": "C-Co-O",
            "density": 2.058272901993679,
            "density_atomic": 0.06524801814177696,
            "volume": 1103.4817922523212,
            "volume_molar": 9.229614832000772,
            "formula_full": "Co8 C32 O32",
            "formula_reduced": "Co(CO)4",
            "formula_anonymous": "AB4C4",
            "energy": -568.5747684199999,
            "energy_per_atom": -7.89687178361111,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -533.48676842,
            "band_gap": 2.6524,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 6.46e-05,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:48.261000Z",
            "spacegroup": 11
        },
        {
            "id": "mp-1191758",
            "created_at": "2022-09-04T14:40:15.201978Z",
            "structure_string": "Dy2 Ni12 As7\n1.0\n4.681073 -8.107856 0.000000\n4.681073 8.107856 0.000000\n0.000000 0.000000 3.831735\nDy Ni As\n2 12 7\ndirect\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.500000 Dy\n0.056504 0.618803 0.000000 Ni\n0.562298 0.943496 0.000000 Ni\n0.381197 0.437702 0.000000 Ni\n0.279245 0.127287 0.000000 Ni\n0.848043 0.720755 0.000000 Ni\n0.872713 0.151957 0.000000 Ni\n0.425823 0.047404 0.500000 Ni\n0.621581 0.574177 0.500000 Ni\n0.952596 0.378419 0.500000 Ni\n0.095204 0.884051 0.500000 Ni\n0.788847 0.904796 0.500000 Ni\n0.115949 0.211153 0.500000 Ni\n0.287191 0.882525 0.000000 As\n0.595334 0.712809 0.000000 As\n0.117475 0.404666 0.000000 As\n0.406518 0.296490 0.500000 As\n0.889973 0.593482 0.500000 As\n0.703510 0.110027 0.500000 As\n0.000000 0.000000 0.000000 As\n",
            "nsites": 21,
            "nelements": 3,
            "elements": [
                "Dy",
                "Ni",
                "As"
            ],
            "chemical_system": "As-Dy-Ni",
            "density": 8.870732560302308,
            "density_atomic": 0.0722008636376027,
            "volume": 290.855246627037,
            "volume_molar": 8.340815409393011,
            "formula_full": "Dy2 Ni12 As7",
            "formula_reduced": "Dy2Ni12As7",
            "formula_anonymous": "A2B7C12",
            "energy": -122.46949416,
            "energy_per_atom": -5.831880674285714,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -122.46949416,
            "band_gap": 0.0,
            "is_gap_direct": false,
            "is_magnetic": false,
            "total_magnetization": 0.0027771,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:55.370000Z",
            "spacegroup": 174
        },
        {
            "id": "mp-559135",
            "created_at": "2022-09-04T14:40:14.882810Z",
            "structure_string": "Na4 Mg2 H16 S4 O24\n1.0\n8.365606 0.000000 0.000000\n0.000000 5.563106 0.000000\n0.000000 2.009381 11.043001\nNa Mg H S O\n4 2 16 4 24\ndirect\n0.427550 0.123380 0.138711 Na\n0.072450 0.123380 0.638711 Na\n0.927550 0.876620 0.361289 Na\n0.572450 0.876620 0.861289 Na\n0.000000 0.000000 0.000000 Mg\n0.500000 0.000000 0.500000 Mg\n0.447677 0.235785 0.682476 H\n0.776143 0.238689 0.484423 H\n0.863465 0.227520 0.155210 H\n0.723857 0.238689 0.984423 H\n0.363465 0.772480 0.344790 H\n0.698195 0.330473 0.359426 H\n0.552323 0.764215 0.317524 H\n0.947677 0.764215 0.817524 H\n0.223857 0.761311 0.515577 H\n0.052323 0.235785 0.182476 H\n0.801805 0.330473 0.859426 H\n0.198195 0.669527 0.140574 H\n0.301805 0.669527 0.640574 H\n0.276143 0.761311 0.015577 H\n0.636535 0.227520 0.655210 H\n0.136535 0.772480 0.844790 H\n0.209269 0.376244 0.364284 S\n0.790731 0.623756 0.635716 S\n0.290731 0.376244 0.864284 S\n0.709269 0.623756 0.135716 S\n0.421866 0.218825 0.921208 O\n0.177378 0.639223 0.372670 O\n0.463968 0.870440 0.338287 O\n0.921866 0.781175 0.578792 O\n0.963968 0.129560 0.161713 O\n0.221216 0.361507 0.231601 O\n0.778784 0.638493 0.768399 O\n0.677378 0.360777 0.127330 O\n0.822622 0.360777 0.627330 O\n0.721216 0.638493 0.268399 O\n0.036032 0.870440 0.838287 O\n0.322622 0.639223 0.872670 O\n0.578134 0.781175 0.078792 O\n0.078134 0.218825 0.421208 O\n0.864210 0.695412 0.074935 O\n0.536032 0.129560 0.661713 O\n0.710636 0.180729 0.421846 O\n0.278784 0.361507 0.731601 O\n0.210636 0.819271 0.078154 O\n0.289364 0.819271 0.578154 O\n0.635790 0.695412 0.574935 O\n0.364210 0.304588 0.425065 O\n0.135790 0.304588 0.925065 O\n0.789364 0.180729 0.921846 O\n",
            "nsites": 50,
            "nelements": 5,
            "elements": [
                "Na",
                "Mg",
                "H",
                "S",
                "O"
            ],
            "chemical_system": "H-Mg-Na-O-S",
            "density": 2.161401880609693,
            "density_atomic": 0.09728998831540557,
            "volume": 513.9274951694351,
            "volume_molar": 6.189887432689117,
            "formula_full": "Na4 Mg2 H16 S4 O24",
            "formula_reduced": "Na2MgH8(SO6)2",
            "formula_anonymous": "AB2C2D8E12",
            "energy": -288.99651898,
            "energy_per_atom": -5.779930379600001,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -272.50851898,
            "band_gap": 5.2316,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0022758,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:54.795000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-560919",
            "created_at": "2022-09-04T14:40:14.660426Z",
            "structure_string": "Na20 Y4 C16 O48\n1.0\n10.208517 0.000000 0.000000\n0.000000 8.876306 0.000000\n0.000000 0.057870 12.365705\nNa Y C O\n20 4 16 48\ndirect\n0.625538 0.453339 0.074616 Na\n0.374307 0.195488 0.788428 Na\n0.823119 0.987021 0.365497 Na\n0.920284 0.576766 0.598707 Na\n0.872994 0.584455 0.894881 Na\n0.125693 0.695488 0.788428 Na\n0.079716 0.423234 0.401293 Na\n0.874307 0.304512 0.211572 Na\n0.627006 0.084455 0.894881 Na\n0.676881 0.487021 0.365497 Na\n0.125538 0.046661 0.925384 Na\n0.127006 0.415545 0.105119 Na\n0.579716 0.076766 0.598707 Na\n0.420284 0.923234 0.401293 Na\n0.874462 0.953339 0.074616 Na\n0.176881 0.012979 0.634503 Na\n0.625693 0.804512 0.211572 Na\n0.323119 0.512979 0.634503 Na\n0.374462 0.546661 0.925384 Na\n0.372994 0.915545 0.105119 Na\n0.376302 0.285351 0.276397 Y\n0.623698 0.714649 0.723603 Y\n0.123698 0.785351 0.276397 Y\n0.876302 0.214649 0.723603 Y\n0.865770 0.261978 0.496264 C\n0.365770 0.238022 0.503736 C\n0.618419 0.142682 0.218306 C\n0.391529 0.244728 0.013211 C\n0.866328 0.888514 0.722279 C\n0.133672 0.111486 0.277721 C\n0.134230 0.738022 0.503736 C\n0.634230 0.761978 0.496264 C\n0.633672 0.388514 0.722279 C\n0.381581 0.857318 0.781694 C\n0.108471 0.744728 0.013211 C\n0.366328 0.611486 0.277721 C\n0.118419 0.357318 0.781694 C\n0.891529 0.255272 0.986789 C\n0.881581 0.642682 0.218306 C\n0.608471 0.755272 0.986789 C\n0.836698 0.380088 0.013128 O\n0.847540 0.176127 0.903914 O\n0.652460 0.676127 0.903914 O\n0.868001 0.743546 0.731504 O\n0.746945 0.457069 0.728813 O\n0.753055 0.957069 0.728813 O\n0.989827 0.564085 0.222820 O\n0.298998 0.349503 0.461962 O\n0.368001 0.756454 0.268496 O\n0.988557 0.200838 0.042498 O\n0.511443 0.700838 0.042498 O\n0.489827 0.935915 0.777180 O\n0.970219 0.968105 0.706906 O\n0.151776 0.688834 0.599861 O\n0.348224 0.188834 0.599861 O\n0.798998 0.150497 0.538038 O\n0.701002 0.650497 0.538038 O\n0.131999 0.256454 0.268496 O\n0.394250 0.711048 0.770874 O\n0.011443 0.799162 0.957502 O\n0.954812 0.323728 0.559641 O\n0.510173 0.064085 0.222820 O\n0.529781 0.468105 0.706906 O\n0.201002 0.849503 0.461962 O\n0.730966 0.081446 0.206040 O\n0.230966 0.418554 0.793960 O\n0.045188 0.676272 0.440359 O\n0.663302 0.880088 0.013128 O\n0.488557 0.299162 0.957502 O\n0.152460 0.823873 0.096086 O\n0.848224 0.311166 0.400139 O\n0.894250 0.788952 0.229126 O\n0.769034 0.581446 0.206040 O\n0.029781 0.031895 0.293094 O\n0.631999 0.243546 0.731504 O\n0.163302 0.619912 0.986872 O\n0.010173 0.435915 0.777180 O\n0.651776 0.811166 0.400139 O\n0.347540 0.323873 0.096086 O\n0.605750 0.288952 0.229126 O\n0.269034 0.918554 0.793960 O\n0.454812 0.176272 0.440359 O\n0.470219 0.531895 0.293094 O\n0.253055 0.542931 0.271187 O\n0.545188 0.823728 0.559641 O\n0.336698 0.119912 0.986872 O\n0.246945 0.042931 0.271187 O\n0.105750 0.211048 0.770874 O\n",
            "nsites": 88,
            "nelements": 4,
            "elements": [
                "Na",
                "Y",
                "C",
                "O"
            ],
            "chemical_system": "C-Na-O-Y",
            "density": 2.631303458352165,
            "density_atomic": 0.07853601638381011,
            "volume": 1120.50501224736,
            "volume_molar": 7.667998756862643,
            "formula_full": "Na20 Y4 C16 O48",
            "formula_reduced": "Na5Y(CO3)4",
            "formula_anonymous": "AB4C5D12",
            "energy": -640.11182262,
            "energy_per_atom": -7.273997984318182,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -607.13582262,
            "band_gap": 4.2043,
            "is_gap_direct": true,
            "is_magnetic": false,
            "total_magnetization": 0.0,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:49.850000Z",
            "spacegroup": 14
        },
        {
            "id": "mp-16866",
            "created_at": "2022-09-04T14:40:15.368190Z",
            "structure_string": "K2 Np2 N6 O22\n1.0\n6.903620 -4.767785 0.000000\n6.903620 4.767785 0.000000\n3.610887 0.000000 7.573192\nK Np N O\n2 2 6 22\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 K\n0.750000 0.750000 0.750000 Np\n0.250000 0.250000 0.250000 Np\n0.750000 0.443401 0.056599 N\n0.056599 0.750000 0.443401 N\n0.443401 0.056599 0.750000 N\n0.250000 0.556599 0.943401 N\n0.943401 0.250000 0.556599 N\n0.556599 0.943401 0.250000 N\n0.655724 0.655724 0.655724 O\n0.844276 0.844276 0.844276 O\n0.155724 0.155724 0.155724 O\n0.344276 0.344276 0.344276 O\n0.874394 0.443620 0.911817 O\n0.588183 0.056380 0.625606 O\n0.056380 0.625606 0.588183 O\n0.625606 0.588183 0.056380 O\n0.685425 0.814575 0.250000 O\n0.814575 0.250000 0.685425 O\n0.250000 0.685425 0.814575 O\n0.314575 0.185425 0.750000 O\n0.185425 0.750000 0.314575 O\n0.750000 0.314575 0.185425 O\n0.556380 0.088183 0.125606 O\n0.088183 0.125606 0.556380 O\n0.125606 0.556380 0.088183 O\n0.411817 0.943620 0.374394 O\n0.943620 0.374394 0.411817 O\n0.374394 0.411817 0.943620 O\n0.443620 0.911817 0.874394 O\n0.911817 0.874394 0.443620 O\n",
            "nsites": 32,
            "nelements": 4,
            "elements": [
                "K",
                "Np",
                "N",
                "O"
            ],
            "chemical_system": "K-N-Np-O",
            "density": 3.2915602903006653,
            "density_atomic": 0.06418705854041036,
            "volume": 498.5428640549668,
            "volume_molar": 9.382172819476732,
            "formula_full": "K2 Np2 N6 O22",
            "formula_reduced": "KNpN3O11",
            "formula_anonymous": "ABC3D11",
            "energy": -238.95068839,
            "energy_per_atom": -7.4672090121875,
            "energy_above_hull": null,
            "is_stable": null,
            "decomposes_to": null,
            "formation_energy": null,
            "formation_energy_per_atom": null,
            "energy_uncorrected": -223.83668839,
            "band_gap": 0.0981999999999999,
            "is_gap_direct": false,
            "is_magnetic": true,
            "total_magnetization": 1.9941549,
            "is_theoretical": false,
            "updated_at": "2021-11-28T01:34:59.355000Z",
            "spacegroup": 167
        }
    ]
}