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_magnetic&page=51",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=49",
"results": [
{
"id": "mp-11037",
"created_at": "2022-09-04T14:39:05.868820Z",
"structure_string": "Lu1 Al8 Fe4\n1.0\n-4.326901 4.326901 2.506573\n4.326901 -4.326901 2.506573\n4.326901 4.326901 -2.506573\nLu Al Fe\n1 8 4\ndirect\n0.000000 0.000000 0.000000 Lu\n0.000000 0.339167 0.339167 Al\n0.280644 0.500000 0.780644 Al\n0.500000 0.280644 0.780644 Al\n0.500000 0.719356 0.219356 Al\n0.719356 0.500000 0.219356 Al\n0.000000 0.660833 0.660833 Al\n0.339167 0.000000 0.339167 Al\n0.660833 0.000000 0.660833 Al\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Lu",
"Al",
"Fe"
],
"chemical_system": "Al-Fe-Lu",
"density": 5.4333058765601825,
"density_atomic": 0.0692546735567319,
"volume": 187.71296336196988,
"volume_molar": 8.695645291096195,
"formula_full": "Lu1 Al8 Fe4",
"formula_reduced": "Lu(Al2Fe)4",
"formula_anonymous": "AB4C8",
"energy": -73.92825289,
"energy_per_atom": -5.686788683846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.92825289,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.252657,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.743000Z",
"spacegroup": 139
},
{
"id": "mp-973225",
"created_at": "2022-09-04T14:39:07.075261Z",
"structure_string": "Na2 Cr1 H2 F8\n1.0\n4.026874 3.716836 0.000000\n-4.026874 3.716836 0.000000\n0.000000 2.257223 5.000341\nNa Cr H F\n2 1 2 8\ndirect\n0.737579 0.262421 0.500000 Na\n0.262421 0.737579 0.500000 Na\n0.000000 0.000000 0.000000 Cr\n0.346073 0.346073 0.217863 H\n0.653927 0.653927 0.782137 H\n0.678417 0.001701 0.220652 F\n0.143570 0.143570 0.222247 F\n0.998299 0.321583 0.779348 F\n0.459874 0.459874 0.264994 F\n0.540126 0.540126 0.735006 F\n0.001701 0.678417 0.220652 F\n0.856430 0.856430 0.777753 F\n0.321583 0.998299 0.779348 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"Na",
"Cr",
"H",
"F"
],
"chemical_system": "Cr-F-H-Na",
"density": 2.795387037468407,
"density_atomic": 0.0868504943316771,
"volume": 149.68251015767095,
"volume_molar": 6.933916503689417,
"formula_full": "Na2 Cr1 H2 F8",
"formula_reduced": "Na2CrH2F8",
"formula_anonymous": "AB2C2D8",
"energy": -67.75025378000001,
"energy_per_atom": -5.211557983076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.05525378,
"band_gap": 1.589,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999775,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.341000Z",
"spacegroup": 12
},
{
"id": "mp-1216969",
"created_at": "2022-09-04T14:39:05.564625Z",
"structure_string": "V20 Ga2 Ge3 S40\n1.0\n4.852229 10.861519 0.000000\n-4.852229 10.861519 0.000000\n0.000000 10.859782 10.859761\nV Ga Ge S\n20 2 3 40\ndirect\n0.112163 0.920685 0.241943 V\n0.512253 0.320559 0.042231 V\n0.912394 0.720791 0.841571 V\n0.311087 0.121816 0.641447 V\n0.711816 0.521693 0.441558 V\n0.362556 0.753512 0.325938 V\n0.762155 0.153679 0.125426 V\n0.162481 0.554503 0.924640 V\n0.563301 0.953650 0.724789 V\n0.963764 0.353104 0.525355 V\n0.445497 0.837519 0.075360 V\n0.846321 0.237845 0.874574 V\n0.246488 0.637444 0.674062 V\n0.646896 0.036236 0.474645 V\n0.046350 0.436699 0.275211 V\n0.279209 0.087606 0.158429 V\n0.679441 0.487747 0.957769 V\n0.079315 0.887837 0.758057 V\n0.478307 0.288184 0.558442 V\n0.878184 0.688913 0.358553 V\n0.000197 0.599834 0.599964 Ga\n0.400166 0.999803 0.400036 Ga\n0.799982 0.399963 0.200013 Ge\n0.199679 0.800321 0.000000 Ge\n0.600037 0.200018 0.799987 Ge\n0.532481 0.874567 0.148382 S\n0.932396 0.274417 0.948664 S\n0.332660 0.674731 0.747805 S\n0.732726 0.074404 0.548071 S\n0.132697 0.474570 0.348228 S\n0.222747 0.080869 0.044787 S\n0.622420 0.480537 0.844829 S\n0.023011 0.880791 0.644436 S\n0.422724 0.280795 0.444555 S\n0.822764 0.681020 0.244634 S\n0.119209 0.976989 0.355564 S\n0.519463 0.377580 0.155171 S\n0.919131 0.777253 0.955213 S\n0.318980 0.177236 0.755366 S\n0.719205 0.577276 0.555445 S\n0.325269 0.667340 0.252195 S\n0.725583 0.067604 0.051336 S\n0.125433 0.467519 0.851618 S\n0.525430 0.867303 0.651772 S\n0.925596 0.267274 0.451929 S\n0.844790 0.172540 0.745786 S\n0.247170 0.572196 0.545210 S\n0.646996 0.972843 0.344854 S\n0.045224 0.372869 0.145351 S\n0.445085 0.772736 0.945627 S\n0.118241 0.990390 0.836861 S\n0.518594 0.390230 0.636759 S\n0.917868 0.792162 0.435280 S\n0.317450 0.192532 0.235004 S\n0.718017 0.590901 0.036645 S\n0.207838 0.082132 0.564720 S\n0.609770 0.481406 0.363241 S\n0.009610 0.881759 0.163139 S\n0.409099 0.281983 0.963355 S\n0.807468 0.682550 0.764996 S\n0.027157 0.353004 0.655146 S\n0.427804 0.752830 0.454790 S\n0.827460 0.155210 0.254214 S\n0.227264 0.554915 0.054373 S\n0.627131 0.954776 0.854649 S\n",
"nsites": 65,
"nelements": 4,
"elements": [
"V",
"Ga",
"Ge",
"S"
],
"chemical_system": "Ga-Ge-S-V",
"density": 3.857020931229651,
"density_atomic": 0.0567846872441617,
"volume": 1144.6747909434503,
"volume_molar": 10.605219562284663,
"formula_full": "V20 Ga2 Ge3 S40",
"formula_reduced": "V20Ga2Ge3S40",
"formula_anonymous": "A2B3C20D40",
"energy": -443.65796805,
"energy_per_atom": -6.8255072007692315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -423.53796805,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 21.9997502,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.152000Z",
"spacegroup": 5
},
{
"id": "mp-5178",
"created_at": "2022-09-04T14:39:07.634492Z",
"structure_string": "V4 Cu2 S8\n1.0\n0.000000 4.936238 4.936238\n4.936238 0.000000 4.936238\n4.936238 4.936238 0.000000\nV Cu S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 V\n0.125000 0.625000 0.125000 V\n0.125000 0.125000 0.125000 V\n0.125000 0.125000 0.625000 V\n0.750000 0.750000 0.750000 Cu\n0.500000 0.500000 0.500000 Cu\n0.881074 0.881074 0.356779 S\n0.368926 0.368926 0.368926 S\n0.881074 0.881074 0.881074 S\n0.893221 0.368926 0.368926 S\n0.368926 0.893221 0.368926 S\n0.356779 0.881074 0.881074 S\n0.881074 0.356779 0.881074 S\n0.368926 0.368926 0.893221 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"V",
"Cu",
"S"
],
"chemical_system": "Cu-S-V",
"density": 4.054604565376014,
"density_atomic": 0.05819822873546432,
"volume": 240.5571493186837,
"volume_molar": 10.34763581443894,
"formula_full": "V4 Cu2 S8",
"formula_reduced": "V2CuS4",
"formula_anonymous": "AB2C4",
"energy": -92.23230333,
"energy_per_atom": -6.588021666428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.20830333,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.941000Z",
"spacegroup": 227
},
{
"id": "mp-1246693",
"created_at": "2022-09-04T14:39:07.640796Z",
"structure_string": "Mn1 Ag1 N1\n1.0\n3.096762 0.000000 0.000000\n-1.548381 2.669152 0.000000\n0.000000 0.000000 4.847275\nMn Ag N\n1 1 1\ndirect\n0.000184 0.000368 0.500000 Mn\n0.666967 0.333933 0.000000 Ag\n0.666249 0.332499 0.500000 N\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Mn",
"Ag",
"N"
],
"chemical_system": "Ag-Mn-N",
"density": 7.327981439822271,
"density_atomic": 0.07487596974168541,
"volume": 40.06625904612253,
"volume_molar": 8.042821723412441,
"formula_full": "Mn1 Ag1 N1",
"formula_reduced": "MnAgN",
"formula_anonymous": "ABC",
"energy": -20.19298772,
"energy_per_atom": -6.730995906666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.83198772,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8511258,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.054000Z",
"spacegroup": 187
},
{
"id": "mp-1219677",
"created_at": "2022-09-04T14:39:07.671612Z",
"structure_string": "Si18 C20 N2 O36\n1.0\n6.647233 8.471366 0.000000\n-6.647233 8.471366 0.000000\n0.000000 3.267368 10.220427\nSi C N O\n18 20 2 36\ndirect\n0.739412 0.500360 0.260306 Si\n0.259526 0.739973 0.499992 Si\n0.499663 0.260061 0.739869 Si\n0.500360 0.739412 0.260306 Si\n0.260061 0.499663 0.739869 Si\n0.739973 0.259526 0.499992 Si\n0.930162 0.698032 0.164516 Si\n0.163619 0.931012 0.698141 Si\n0.697964 0.164592 0.930852 Si\n0.698032 0.930162 0.164516 Si\n0.164592 0.697964 0.930852 Si\n0.931012 0.163619 0.698141 Si\n0.069788 0.301295 0.836510 Si\n0.835646 0.068810 0.302178 Si\n0.302259 0.835024 0.069553 Si\n0.301295 0.069788 0.836510 Si\n0.835024 0.302259 0.069553 Si\n0.068810 0.835646 0.302178 Si\n0.761242 0.761242 0.797282 C\n0.240594 0.240594 0.200298 C\n0.847597 0.743065 0.671882 C\n0.743065 0.847597 0.671882 C\n0.686259 0.686259 0.885097 C\n0.149174 0.261883 0.325816 C\n0.261883 0.149174 0.325816 C\n0.317197 0.317197 0.113434 C\n0.853522 0.614467 0.630893 C\n0.614467 0.853522 0.630893 C\n0.634074 0.634074 0.799850 C\n0.178180 0.366895 0.365963 C\n0.366895 0.178180 0.365963 C\n0.365108 0.365108 0.193151 C\n0.712650 0.591145 0.679714 C\n0.627920 0.627920 0.583500 C\n0.591145 0.712650 0.679714 C\n0.275401 0.434398 0.301700 C\n0.322698 0.322698 0.412267 C\n0.434398 0.275401 0.301700 C\n0.943487 0.543915 0.568524 N\n0.543915 0.943487 0.568524 N\n0.039823 0.657419 0.039850 O\n0.038421 0.038421 0.657083 O\n0.657419 0.039823 0.039850 O\n0.959883 0.342671 0.960469 O\n0.960387 0.960387 0.342437 O\n0.342671 0.959883 0.960469 O\n0.738135 0.396120 0.396754 O\n0.396120 0.738135 0.396754 O\n0.398070 0.398070 0.737317 O\n0.262311 0.601651 0.601719 O\n0.601651 0.262311 0.601719 O\n0.601559 0.601559 0.261255 O\n0.998869 0.732787 0.268148 O\n0.265123 0.001603 0.733408 O\n0.731284 0.269060 0.999606 O\n0.732787 0.998869 0.268148 O\n0.269060 0.731284 0.999606 O\n0.001603 0.265123 0.733408 O\n0.859332 0.576147 0.237816 O\n0.238483 0.858284 0.577716 O\n0.577003 0.238581 0.858812 O\n0.576147 0.859332 0.237816 O\n0.238581 0.577003 0.858812 O\n0.858284 0.238483 0.577716 O\n0.140626 0.423298 0.763526 O\n0.762737 0.138823 0.425035 O\n0.423882 0.761793 0.140315 O\n0.423298 0.140626 0.763526 O\n0.761793 0.423882 0.140315 O\n0.138823 0.762737 0.425035 O\n0.824776 0.824776 0.111515 O\n0.111661 0.825228 0.825822 O\n0.825228 0.111661 0.825822 O\n0.175447 0.175447 0.890296 O\n0.887057 0.174663 0.174638 O\n0.174663 0.887057 0.174638 O\n",
"nsites": 76,
"nelements": 4,
"elements": [
"Si",
"C",
"N",
"O"
],
"chemical_system": "C-N-O-Si",
"density": 1.9471857230963698,
"density_atomic": 0.06602679373867418,
"volume": 1151.0478655195425,
"volume_molar": 9.120752983758205,
"formula_full": "Si18 C20 N2 O36",
"formula_reduced": "Si9C10NO18",
"formula_anonymous": "AB9C10D18",
"energy": -610.2455233799999,
"energy_per_atom": -8.029546360263156,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -584.79152338,
"band_gap": 0.0077,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.063128,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.410000Z",
"spacegroup": 8
},
{
"id": "mp-1185075",
"created_at": "2022-09-04T14:39:07.087904Z",
"structure_string": "K3 Ta1\n1.0\n-2.907084 2.907084 5.481063\n2.907084 -2.907084 5.481063\n2.907084 2.907084 -5.481063\nK Ta\n3 1\ndirect\n0.750000 0.250000 0.500000 K\n0.250000 0.750000 0.500000 K\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 Ta\n",
"nsites": 4,
"nelements": 2,
"elements": [
"K",
"Ta"
],
"chemical_system": "K-Ta",
"density": 2.6728777103474517,
"density_atomic": 0.021588379522939603,
"volume": 185.28486567274024,
"volume_molar": 27.895288544473345,
"formula_full": "K3 Ta1",
"formula_reduced": "K3Ta",
"formula_anonymous": "AB3",
"energy": -9.55393247,
"energy_per_atom": -2.3884831175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.55393247,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0473004,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.913000Z",
"spacegroup": 139
},
{
"id": "mp-1234431",
"created_at": "2022-09-04T14:39:06.235748Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.680400 -0.041729 -0.033151\n4.336658 7.520449 -0.034594\n4.334622 2.490152 7.094147\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.374803 0.375315 0.377177 Mg\n0.133779 0.133816 0.133369 Fe\n0.254004 0.254204 0.253239 Fe\n0.652226 0.651989 0.651974 Fe\n0.004924 0.005754 0.005808 Ni\n0.509321 0.508999 0.509039 Ni\n0.858346 0.858577 0.859221 Sb\n0.050274 0.747562 0.461558 P\n0.461753 0.050698 0.747821 P\n0.747062 0.462361 0.051727 P\n0.258373 0.555025 0.947904 P\n0.555025 0.948601 0.258242 P\n0.948487 0.257734 0.554788 P\n0.117773 0.305094 0.511866 O\n0.305990 0.511737 0.117221 O\n0.048494 0.900515 0.266776 O\n0.511659 0.117842 0.305950 O\n0.993550 0.845625 0.604662 O\n0.249072 0.605828 0.456818 O\n0.266951 0.048062 0.900400 O\n0.455779 0.249757 0.606477 O\n0.200270 0.393055 0.992649 O\n0.604824 0.455808 0.250623 O\n0.089036 0.752899 0.935725 O\n0.392977 0.993787 0.199859 O\n0.603765 0.995920 0.846285 O\n0.900094 0.267788 0.048513 O\n0.411557 0.583988 0.753185 O\n0.844229 0.604515 -0.000583 O\n0.584230 0.753618 0.410863 O\n0.752840 0.937016 0.088710 O\n0.753620 0.410799 0.583896 O\n0.993841 0.199692 0.392453 O\n0.532575 0.906647 0.656578 O\n0.936357 0.088451 0.752516 O\n0.657283 0.533979 0.906258 O\n0.906733 0.656634 0.530124 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.5672878933321917,
"density_atomic": 0.0794213002444001,
"volume": 465.8699855849921,
"volume_molar": 7.582526024464847,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -277.89026867,
"energy_per_atom": -7.510547801891892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.55226867,
"band_gap": 1.263,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.450000Z",
"spacegroup": 146
},
{
"id": "mp-1236786",
"created_at": "2022-09-04T14:39:07.096147Z",
"structure_string": "Rb3 Li1 Tb1 V2 O8\n1.0\n-2.987017 -5.173665 0.000000\n-2.987017 5.173665 0.000000\n0.000000 0.000000 -9.136743\nRb Li Tb V O\n3 1 1 2 8\ndirect\n0.666667 0.333333 0.280759 Rb\n0.333333 0.666667 0.785575 Rb\n0.000000 0.000000 0.985975 Rb\n0.333333 0.666667 0.495937 Li\n0.000000 0.000000 0.487644 Tb\n0.666667 0.333333 0.717101 V\n0.333333 0.666667 0.248631 V\n0.666667 0.333333 0.904605 O\n0.333333 0.666667 0.059006 O\n0.827221 0.654442 0.653075 O\n0.179049 0.358097 0.350181 O\n0.827221 0.172779 0.653075 O\n0.179049 0.820951 0.350181 O\n0.345558 0.172779 0.653075 O\n0.641903 0.820951 0.350181 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"Rb",
"Li",
"Tb",
"V",
"O"
],
"chemical_system": "Li-O-Rb-Tb-V",
"density": 3.8347568108833725,
"density_atomic": 0.05311703878733877,
"volume": 282.39526039948356,
"volume_molar": 11.33749338721696,
"formula_full": "Rb3 Li1 Tb1 V2 O8",
"formula_reduced": "Rb3LiTbV2O8",
"formula_anonymous": "ABC2D3E8",
"energy": -104.32904155,
"energy_per_atom": -6.955269436666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.43304155,
"band_gap": 1.2876,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0030328,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.930000Z",
"spacegroup": 156
},
{
"id": "mp-1047801",
"created_at": "2022-09-04T14:39:06.244784Z",
"structure_string": "Mg2 P6 W6 O26\n1.0\n6.692321 0.000000 0.000000\n0.000000 7.919906 0.000000\n0.000000 1.603582 10.339989\nMg P W O\n2 6 6 26\ndirect\n0.750000 0.396099 0.181595 Mg\n0.250000 0.603901 0.818405 Mg\n0.250000 0.783798 0.508217 P\n0.750000 0.216202 0.491783 P\n0.250000 0.266490 0.765107 P\n0.750000 0.733510 0.234893 P\n0.750000 0.676117 0.896843 P\n0.250000 0.323883 0.103157 P\n0.250000 0.642655 0.206410 W\n0.750000 0.357345 0.793590 W\n0.250000 0.232286 0.434119 W\n0.500000 0.000000 0.000000 W\n0.750000 0.767714 0.565881 W\n0.000000 0.000000 0.000000 W\n0.750000 0.634544 0.754591 O\n0.568653 0.256847 0.397839 O\n0.250000 0.196065 0.639806 O\n0.551744 0.771494 0.910553 O\n0.750000 0.340271 0.592691 O\n0.750000 0.113614 0.897269 O\n0.250000 0.659729 0.407309 O\n0.051744 0.228506 0.089447 O\n0.250000 0.968228 0.436892 O\n0.750000 0.031772 0.563108 O\n0.072779 0.388285 0.784880 O\n0.250000 0.886386 0.102731 O\n0.572779 0.611715 0.215120 O\n0.750000 0.492036 0.977597 O\n0.750000 0.803935 0.360194 O\n0.448256 0.228506 0.089447 O\n0.931347 0.256847 0.397839 O\n0.431347 0.743153 0.602161 O\n0.427221 0.388285 0.784880 O\n0.250000 0.365456 0.245409 O\n0.750000 0.891117 0.123147 O\n0.250000 0.108883 0.876853 O\n0.927221 0.611715 0.215120 O\n0.948256 0.771494 0.910553 O\n0.068653 0.743153 0.602161 O\n0.250000 0.507964 0.022403 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"P",
"W",
"O"
],
"chemical_system": "Mg-O-P-W",
"density": 5.312908011436249,
"density_atomic": 0.07298659842533158,
"volume": 548.0458174923951,
"volume_molar": 8.251022639671184,
"formula_full": "Mg2 P6 W6 O26",
"formula_reduced": "MgP3W3O13",
"formula_anonymous": "AB3C3D13",
"energy": -334.15853917999993,
"energy_per_atom": -8.353963479499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.66853918,
"band_gap": 0.9504,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0004262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.331000Z",
"spacegroup": 11
},
{
"id": "mp-728941",
"created_at": "2022-09-04T14:39:07.102841Z",
"structure_string": "Zn1 Pb1 I6 O24\n1.0\n7.076081 0.000000 0.000000\n-0.341466 7.113287 0.000000\n-3.506338 -1.201213 10.224530\nZn Pb I O\n1 1 6 24\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Pb\n0.365293 0.938811 0.329480 I\n0.634707 0.061189 0.670520 I\n0.167724 0.458864 0.199004 I\n0.832276 0.541136 0.800996 I\n0.493635 0.261129 0.003093 I\n0.506365 0.738871 0.996907 I\n0.712208 0.966513 0.530200 O\n0.287792 0.033487 0.469800 O\n0.634915 0.309373 0.636527 O\n0.365085 0.690627 0.363473 O\n0.890686 0.086370 0.794968 O\n0.109314 0.913630 0.205032 O\n0.967216 0.285159 0.066869 O\n0.032784 0.714841 0.933131 O\n0.364286 0.298798 0.242956 O\n0.635714 0.701202 0.757044 O\n0.035227 0.429105 0.318869 O\n0.964773 0.570895 0.681131 O\n0.693796 0.952163 0.018377 O\n0.306204 0.047837 0.981623 O\n0.695833 0.563070 0.022039 O\n0.304167 0.436930 0.977961 O\n0.492840 0.769273 0.160807 O\n0.507160 0.230727 0.839193 O\n0.861837 0.205202 0.402070 O\n0.138163 0.794798 0.597930 O\n0.919297 0.707384 0.403003 O\n0.080703 0.292616 0.596997 O\n0.779885 0.489398 0.473264 O\n0.220115 0.510602 0.526736 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Zn",
"Pb",
"I",
"O"
],
"chemical_system": "I-O-Pb-Zn",
"density": 4.575361441687044,
"density_atomic": 0.06217896627087689,
"volume": 514.6434866831811,
"volume_molar": 9.685173493822818,
"formula_full": "Zn1 Pb1 I6 O24",
"formula_reduced": "ZnPb(IO4)6",
"formula_anonymous": "ABC6D24",
"energy": -146.42120011,
"energy_per_atom": -4.5756625034375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.93320011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0073898,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.960000Z",
"spacegroup": 2
},
{
"id": "mp-1219719",
"created_at": "2022-09-04T14:39:09.146492Z",
"structure_string": "Sm4 V20 Cu15 O60\n1.0\n11.106222 -5.241872 0.000000\n11.106222 5.241872 0.000000\n8.632183 0.000000 8.735606\nSm V Cu O\n4 20 15 60\ndirect\n0.800946 0.800946 0.800946 Sm\n0.600754 0.600754 0.600754 Sm\n0.399246 0.399246 0.399246 Sm\n0.199054 0.199054 0.199054 Sm\n0.902350 0.902350 0.902350 V\n0.097650 0.097650 0.097650 V\n0.300060 0.300060 0.300060 V\n0.699940 0.699940 0.699940 V\n0.500000 0.500000 0.500000 V\n0.190899 0.712615 0.194250 V\n0.400814 0.897755 0.402512 V\n0.599186 0.102245 0.597488 V\n0.000000 0.500000 0.000000 V\n0.809101 0.287385 0.805750 V\n0.194250 0.190899 0.712615 V\n0.402512 0.400814 0.897755 V\n0.597488 0.599186 0.102245 V\n0.000000 0.000000 0.500000 V\n0.805750 0.809101 0.287385 V\n0.287385 0.805750 0.809101 V\n0.500000 0.000000 0.000000 V\n0.712615 0.194250 0.190899 V\n0.102245 0.597488 0.599186 V\n0.897755 0.402512 0.400814 V\n0.500000 0.000000 0.500000 Cu\n0.699736 0.200603 0.700405 Cu\n0.898195 0.402001 0.900301 Cu\n0.300264 0.799397 0.299595 Cu\n0.101805 0.597999 0.099699 Cu\n0.099699 0.101805 0.597999 Cu\n0.299595 0.300264 0.799397 Cu\n0.500000 0.500000 0.000000 Cu\n0.900301 0.898195 0.402001 Cu\n0.700405 0.699736 0.200603 Cu\n0.402001 0.900301 0.898195 Cu\n0.597999 0.099699 0.101805 Cu\n0.799397 0.299595 0.300264 Cu\n0.200603 0.700405 0.699736 Cu\n0.000000 0.500000 0.500000 Cu\n0.196162 0.380073 0.671139 O\n0.999472 0.179228 0.469894 O\n0.790783 0.976189 0.285642 O\n0.599215 0.774761 0.075392 O\n0.399568 0.575418 0.876475 O\n0.000528 0.820772 0.530106 O\n0.803838 0.619927 0.328861 O\n0.600432 0.424582 0.123525 O\n0.400785 0.225239 0.924608 O\n0.209217 0.023811 0.714358 O\n0.084608 0.896043 0.212514 O\n0.883954 0.700717 0.004618 O\n0.682346 0.507761 0.802784 O\n0.480886 0.303330 0.604223 O\n0.282469 0.109335 0.400613 O\n0.116046 0.299283 0.995382 O\n0.915392 0.103957 0.787486 O\n0.717531 0.890665 0.599387 O\n0.519114 0.696670 0.395777 O\n0.317654 0.492239 0.197216 O\n0.123525 0.600432 0.424582 O\n0.924608 0.400785 0.225239 O\n0.714358 0.209217 0.023811 O\n0.530106 0.000528 0.820772 O\n0.328861 0.803838 0.619927 O\n0.075392 0.599215 0.774761 O\n0.876475 0.399568 0.575418 O\n0.671139 0.196162 0.380073 O\n0.469894 0.999472 0.179228 O\n0.285642 0.790783 0.976189 O\n0.395777 0.519114 0.696670 O\n0.197216 0.317654 0.492239 O\n0.995382 0.116046 0.299283 O\n0.787486 0.915392 0.103957 O\n0.599387 0.717531 0.890665 O\n0.802784 0.682346 0.507761 O\n0.604223 0.480886 0.303330 O\n0.400613 0.282469 0.109335 O\n0.212514 0.084608 0.896043 O\n0.004618 0.883954 0.700717 O\n0.303330 0.604223 0.480886 O\n0.109335 0.400613 0.282469 O\n0.896043 0.212514 0.084608 O\n0.700717 0.004618 0.883954 O\n0.507761 0.802784 0.682346 O\n0.890665 0.599387 0.717531 O\n0.696670 0.395777 0.519114 O\n0.492239 0.197216 0.317654 O\n0.299283 0.995382 0.116046 O\n0.103957 0.787486 0.915392 O\n0.976189 0.285642 0.790783 O\n0.774761 0.075392 0.599215 O\n0.575418 0.876475 0.399568 O\n0.380073 0.671139 0.196162 O\n0.179228 0.469894 0.999472 O\n0.225239 0.924608 0.400785 O\n0.023811 0.714358 0.209217 O\n0.820772 0.530106 0.000528 O\n0.619927 0.328861 0.803838 O\n0.424582 0.123525 0.600432 O\n",
"nsites": 99,
"nelements": 4,
"elements": [
"Sm",
"V",
"Cu",
"O"
],
"chemical_system": "Cu-O-Sm-V",
"density": 5.768581812869349,
"density_atomic": 0.09733284077408634,
"volume": 1017.1284348905752,
"volume_molar": 6.187162228191455,
"formula_full": "Sm4 V20 Cu15 O60",
"formula_reduced": "Sm4V20(CuO4)15",
"formula_anonymous": "A4B15C20D60",
"energy": -771.36603458,
"energy_per_atom": -7.791576106868687,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -696.14603458,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.6807849,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.787000Z",
"spacegroup": 148
}
]
}