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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10195",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10193",
"results": [
{
"id": "mp-1233419",
"created_at": "2022-09-04T14:48:11.915815Z",
"structure_string": "Rb2 Nd2 Mg1 W4 O16\n1.0\n7.054528 -0.283615 3.532631\n-2.061932 6.752426 3.532631\n0.055986 0.072540 7.581029\nRb Nd Mg W O\n2 2 1 4 16\ndirect\n0.777506 0.222494 0.750000 Rb\n0.257635 0.742365 0.250000 Rb\n0.233811 0.766189 0.750000 Nd\n0.747629 0.252371 0.250000 Nd\n0.007009 0.992991 0.250000 Mg\n0.694162 0.716693 0.789215 W\n0.716533 0.695313 0.284223 W\n0.304687 0.283467 0.215777 W\n0.283307 0.305838 0.710785 W\n0.572052 0.366166 0.498276 O\n0.192717 0.027208 0.845823 O\n0.066910 0.378121 0.867934 O\n0.388205 0.074661 0.369506 O\n0.798787 0.681191 0.508955 O\n0.318809 0.201213 0.991045 O\n0.621879 0.933090 0.632066 O\n0.425147 0.625425 0.529531 O\n0.021002 0.209378 0.322993 O\n0.790622 0.978998 0.177007 O\n0.374575 0.574853 0.970469 O\n0.925339 0.611795 0.130494 O\n0.236668 0.353286 0.467557 O\n0.646714 0.763332 0.032443 O\n0.972792 0.807283 0.654177 O\n0.633834 0.427948 0.001724 O\n",
"nsites": 25,
"nelements": 5,
"elements": [
"Rb",
"Nd",
"Mg",
"W",
"O"
],
"chemical_system": "Mg-Nd-O-Rb-W",
"density": 6.939601325751513,
"density_atomic": 0.07082903583953426,
"volume": 352.96259088770324,
"volume_molar": 8.50236162136017,
"formula_full": "Rb2 Nd2 Mg1 W4 O16",
"formula_reduced": "Rb2Nd2Mg(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -208.18795962,
"energy_per_atom": -8.3275183848,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -179.44395962,
"band_gap": 1.9769,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 1.9915538,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:31.586000Z",
"spacegroup": 5
},
{
"id": "mp-1233489",
"created_at": "2022-09-04T14:46:04.365862Z",
"structure_string": "Nd4 Mg1 Rh4 O12\n1.0\n6.150071 -0.937299 0.000000\n-0.978604 6.344240 0.000000\n0.000000 0.000000 7.573047\nNd Mg Rh O\n4 1 4 12\ndirect\n0.551591 0.561094 0.750000 Nd\n0.043914 0.853317 0.250000 Nd\n0.049301 0.086371 0.750000 Nd\n0.449287 0.459295 0.250000 Nd\n0.693436 0.020048 0.250000 Mg\n0.486603 0.010828 0.523646 Rh\n0.994386 0.494752 0.508194 Rh\n0.994386 0.494752 0.991806 Rh\n0.486603 0.010828 0.976354 Rh\n0.837729 0.173944 0.467884 O\n0.358813 0.281206 0.560254 O\n0.624039 0.758848 0.063761 O\n0.147806 0.828738 0.951592 O\n0.147806 0.828738 0.548408 O\n0.624039 0.758848 0.436239 O\n0.358813 0.281206 0.939746 O\n0.837729 0.173944 0.032116 O\n0.402861 0.080004 0.250000 O\n0.883274 0.464412 0.750000 O\n0.110628 0.525414 0.250000 O\n0.604458 0.947160 0.750000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Nd",
"Mg",
"Rh",
"O"
],
"chemical_system": "Mg-Nd-O-Rh",
"density": 6.934207979332691,
"density_atomic": 0.07278140811342261,
"volume": 288.53522546958123,
"volume_molar": 8.274284485695977,
"formula_full": "Nd4 Mg1 Rh4 O12",
"formula_reduced": "Nd4Mg(RhO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -157.10503913,
"energy_per_atom": -7.481192339523809,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -148.86103913,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.890561,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:15.700000Z",
"spacegroup": 6
},
{
"id": "mp-1233249",
"created_at": "2022-09-04T14:40:07.455049Z",
"structure_string": "Nd4 Mg1 Rh4 O12\n1.0\n5.506230 0.157648 0.000000\n0.173737 6.439444 0.000000\n0.000000 0.000000 7.546906\nNd Mg Rh O\n4 1 4 12\ndirect\n0.443463 0.586186 0.750000 Nd\n0.981677 0.909450 0.250000 Nd\n0.059983 0.144552 0.750000 Nd\n0.539869 0.400502 0.250000 Nd\n0.924432 0.751541 0.750000 Mg\n0.503788 0.000523 0.499873 Rh\n0.995659 0.487678 0.486953 Rh\n0.995659 0.487678 0.013047 Rh\n0.503788 0.000523 0.000127 Rh\n0.811861 0.170386 0.446675 O\n0.334188 0.308128 0.550424 O\n0.667840 0.686773 0.044436 O\n0.174227 0.828761 0.934956 O\n0.174227 0.828761 0.565044 O\n0.667840 0.686773 0.455564 O\n0.334188 0.308128 0.949576 O\n0.811861 0.170386 0.053325 O\n0.364071 0.056430 0.250000 O\n0.850827 0.461964 0.750000 O\n0.135950 0.546978 0.250000 O\n0.649602 0.948731 0.750000 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Nd",
"Mg",
"Rh",
"O"
],
"chemical_system": "Mg-Nd-O-Rh",
"density": 7.4827226987186855,
"density_atomic": 0.07853861553593394,
"volume": 267.3843924634987,
"volume_molar": 7.66774499258225,
"formula_full": "Nd4 Mg1 Rh4 O12",
"formula_reduced": "Nd4Mg(RhO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -158.80405206,
"energy_per_atom": -7.562097717142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.56005206,
"band_gap": 0.2298,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9981162,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.451000Z",
"spacegroup": 6
},
{
"id": "mp-1218129",
"created_at": "2022-09-04T14:41:51.610663Z",
"structure_string": "Sr2 Nd2 Mg2 Ru2 O12\n1.0\n5.674802 0.000000 0.000000\n0.000000 5.588958 0.000000\n0.000000 5.549430 7.909155\nSr Nd Mg Ru O\n2 2 2 2 12\ndirect\n0.218651 0.245038 0.250406 Sr\n0.781349 0.245038 0.750406 Sr\n0.302412 0.762943 0.750945 Nd\n0.697588 0.762943 0.250945 Nd\n0.757021 0.499360 0.001423 Mg\n0.242979 0.499360 0.501423 Mg\n0.752395 0.000119 0.499742 Ru\n0.247605 0.000119 0.999742 Ru\n0.038687 0.149378 0.545568 O\n0.961313 0.149378 0.045568 O\n0.478316 0.823884 0.459429 O\n0.521684 0.823884 0.959429 O\n0.764748 0.335545 0.256664 O\n0.235252 0.335545 0.756664 O\n0.724634 0.691649 0.743526 O\n0.275366 0.691649 0.243526 O\n0.948873 0.757541 0.454753 O\n0.051127 0.757541 0.954753 O\n0.533328 0.234544 0.537546 O\n0.466672 0.234544 0.037546 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Mg",
"Ru",
"O"
],
"chemical_system": "Mg-Nd-O-Ru-Sr",
"density": 6.000526444036261,
"density_atomic": 0.0797293731939801,
"volume": 250.84857937287887,
"volume_molar": 7.553227272147545,
"formula_full": "Sr2 Nd2 Mg2 Ru2 O12",
"formula_reduced": "SrNdMgRuO6",
"formula_anonymous": "ABCDE6",
"energy": -149.61137463,
"energy_per_atom": -7.4805687315,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.36737463,
"band_gap": 0.3618999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0615026,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.156000Z",
"spacegroup": 7
},
{
"id": "mp-1173532",
"created_at": "2022-09-04T14:48:18.233613Z",
"structure_string": "Nd8 Mg4 Ti6 Si8 O44\n1.0\n5.839257 0.000000 0.000000\n0.000000 10.720718 -2.350225\n0.000000 0.251090 13.514578\nNd Mg Ti Si O\n8 4 6 8 44\ndirect\n0.022908 0.233873 0.357899 Nd\n0.044832 0.755854 0.933202 Nd\n0.455168 0.755854 0.433202 Nd\n0.477092 0.233873 0.857899 Nd\n0.522908 0.766127 0.142101 Nd\n0.544832 0.244146 0.566798 Nd\n0.955168 0.244146 0.066798 Nd\n0.977092 0.766127 0.642101 Nd\n0.500000 0.500000 0.500000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.000000 0.500000 0.000000 Mg\n0.226456 0.497796 0.228990 Ti\n0.273544 0.497796 0.728990 Ti\n0.500000 0.500000 0.000000 Ti\n0.726456 0.502204 0.271010 Ti\n0.773544 0.502204 0.771010 Ti\n0.000000 0.500000 0.500000 Ti\n0.999071 0.954093 0.137706 Si\n0.001589 0.227442 0.702897 Si\n0.498411 0.227442 0.202897 Si\n0.500929 0.954093 0.637706 Si\n0.499071 0.045907 0.362294 Si\n0.501589 0.772558 0.797103 Si\n0.998411 0.772558 0.297103 Si\n0.000929 0.045907 0.862294 Si\n0.016782 0.492196 0.342006 O\n0.020529 0.527842 0.852554 O\n0.986154 0.100692 0.182597 O\n0.067012 0.837374 0.409900 O\n0.066621 0.128926 0.775444 O\n0.199474 0.096938 0.949168 O\n0.281783 0.684173 0.750961 O\n0.259598 0.373510 0.978969 O\n0.230451 0.628799 0.528510 O\n0.235945 0.312476 0.708431 O\n0.251109 0.904300 0.591380 O\n0.248891 0.904300 0.091380 O\n0.269549 0.628799 0.028510 O\n0.264055 0.312476 0.208431 O\n0.240402 0.373510 0.478969 O\n0.218217 0.684173 0.250961 O\n0.300526 0.096938 0.449168 O\n0.433379 0.128926 0.275444 O\n0.432988 0.837374 0.909900 O\n0.513846 0.100692 0.682597 O\n0.479471 0.527842 0.352554 O\n0.483218 0.492196 0.842006 O\n0.516782 0.507804 0.157994 O\n0.520529 0.472158 0.647446 O\n0.486154 0.899308 0.317403 O\n0.567012 0.162626 0.090100 O\n0.566621 0.871074 0.724556 O\n0.699474 0.903062 0.550832 O\n0.781783 0.315827 0.749039 O\n0.759598 0.626490 0.521031 O\n0.735945 0.687524 0.791569 O\n0.730451 0.371201 0.971490 O\n0.751109 0.095700 0.908620 O\n0.748891 0.095700 0.408620 O\n0.764055 0.687524 0.291569 O\n0.769549 0.371201 0.471490 O\n0.740402 0.626490 0.021031 O\n0.718217 0.315827 0.249039 O\n0.800526 0.903062 0.050832 O\n0.933379 0.871074 0.224556 O\n0.932988 0.162626 0.590100 O\n0.013846 0.899308 0.817403 O\n0.979471 0.472158 0.147446 O\n0.983218 0.507804 0.657994 O\n",
"nsites": 70,
"nelements": 5,
"elements": [
"Nd",
"Mg",
"Ti",
"Si",
"O"
],
"chemical_system": "Mg-Nd-O-Si-Ti",
"density": 4.822494716588621,
"density_atomic": 0.08240409750705444,
"volume": 849.47232137343,
"volume_molar": 7.30805984433536,
"formula_full": "Nd8 Mg4 Ti6 Si8 O44",
"formula_reduced": "Nd4Mg2Ti3(Si2O11)2",
"formula_anonymous": "A2B3C4D4E22",
"energy": -598.5940518699999,
"energy_per_atom": -8.551343598142855,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -568.36605187,
"band_gap": 2.496,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.006136,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:50.177000Z",
"spacegroup": 14
},
{
"id": "mp-1523147",
"created_at": "2022-09-04T14:47:11.215781Z",
"structure_string": "Sr1 Nd1 Mg1 W1 O6\n1.0\n-0.000000 -3.994897 -3.994897\n3.994897 -0.000000 -3.994897\n3.994897 -3.994897 0.000000\nSr Nd Mg W O\n1 1 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Nd\n-0.000000 -0.000000 -0.000000 Mg\n0.500000 0.500000 0.500000 W\n0.747413 0.252587 0.252587 O\n0.252587 0.747413 0.747413 O\n0.747413 0.252587 0.747413 O\n0.252587 0.747413 0.252587 O\n0.747413 0.747413 0.252587 O\n0.252587 0.252587 0.747413 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Nd",
"Mg",
"W",
"O"
],
"chemical_system": "Mg-Nd-O-Sr-W",
"density": 6.980232476914881,
"density_atomic": 0.07842476843996063,
"volume": 127.51073670884554,
"volume_molar": 7.678876048719671,
"formula_full": "Sr1 Nd1 Mg1 W1 O6",
"formula_reduced": "SrNdMgWO6",
"formula_anonymous": "ABCDE6",
"energy": -79.65716167000001,
"energy_per_atom": -7.965716167000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -71.09716167,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:57.739000Z",
"spacegroup": 216
},
{
"id": "mp-1220331",
"created_at": "2022-09-04T14:41:31.534206Z",
"structure_string": "Nd2 Mg4 Ta2 O12\n1.0\n-5.076948 -0.304273 -5.238668\n4.772675 -4.772675 0.000000\n-5.381221 -5.381221 0.000000\nNd Mg Ta O\n2 4 2 12\ndirect\n0.000000 0.000000 0.500000 Nd\n0.000000 0.000000 0.000000 Nd\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Ta\n0.000000 0.500000 0.500000 Ta\n0.723104 0.861552 0.388448 O\n0.161806 0.580903 0.669097 O\n0.240446 0.835163 0.946263 O\n0.240446 0.405283 0.313290 O\n0.240446 0.405283 0.946263 O\n0.240446 0.835163 0.313290 O\n0.276896 0.138448 0.611552 O\n0.838194 0.419097 0.330903 O\n0.759554 0.164837 0.053737 O\n0.759554 0.594717 0.686710 O\n0.759554 0.594717 0.053737 O\n0.759554 0.164837 0.686710 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Nd",
"Mg",
"Ta",
"O"
],
"chemical_system": "Mg-Nd-O-Ta",
"density": 5.798225546574071,
"density_atomic": 0.07432525947579623,
"volume": 269.08752342146795,
"volume_molar": 8.102414714019384,
"formula_full": "Nd2 Mg4 Ta2 O12",
"formula_reduced": "NdMg2TaO6",
"formula_anonymous": "ABC2D6",
"energy": -162.54956235000003,
"energy_per_atom": -8.1274781175,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -154.30556235,
"band_gap": 2.6203,
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"is_magnetic": false,
"total_magnetization": 0.000686,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:11.075000Z",
"spacegroup": 74
},
{
"id": "mp-1233240",
"created_at": "2022-09-04T14:45:12.479230Z",
"structure_string": "Nd4 Mg1 Ta4 Ti4 O24\n1.0\n0.107203 0.011302 -5.347050\n0.004993 -7.701078 0.016443\n-11.395263 0.006637 0.230719\nNd Mg Ta Ti O\n4 1 4 4 24\ndirect\n0.555798 0.250966 0.976523 Nd\n0.950447 0.246215 0.555526 Nd\n0.467232 0.750167 0.959983 Nd\n0.034251 0.748132 0.458794 Nd\n0.667027 0.271727 0.233143 Mg\n0.527343 0.993911 0.368171 Ta\n0.450795 0.504289 0.648425 Ta\n0.057419 0.512648 0.142060 Ta\n0.971535 0.995286 0.852189 Ta\n0.972147 0.500147 0.857968 Ti\n0.044428 0.998133 0.140103 Ti\n0.454970 0.990530 0.641864 Ti\n0.518935 0.504442 0.380683 Ti\n0.887288 0.249081 0.862927 O\n0.639902 0.248626 0.397651 O\n0.156622 0.752824 0.127152 O\n0.344723 0.748994 0.620140 O\n0.379803 0.072226 0.216612 O\n0.123782 0.447164 0.711629 O\n0.621257 0.551679 0.796787 O\n0.857977 0.961918 0.283935 O\n0.622131 0.946655 0.791510 O\n0.860126 0.531324 0.280867 O\n0.376074 0.435616 0.217861 O\n0.128730 0.048657 0.707416 O\n0.925194 0.251612 0.125127 O\n0.540955 0.251355 0.645937 O\n0.065789 0.748454 0.852565 O\n0.439025 0.748424 0.361430 O\n0.777784 0.537463 0.017928 O\n0.728099 0.957366 0.525781 O\n0.245170 0.031746 0.973483 O\n0.245876 0.463882 0.482064 O\n0.241343 0.469236 0.978903 O\n0.251137 0.032922 0.476363 O\n0.781429 0.964104 0.014735 O\n0.724959 0.541002 0.530051 O\n",
"nsites": 37,
"nelements": 5,
"elements": [
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"Mg",
"Ta",
"Ti",
"O"
],
"chemical_system": "Mg-Nd-O-Ta-Ti",
"density": 6.7283638477495264,
"density_atomic": 0.07888421000778885,
"volume": 469.0419032699536,
"volume_molar": 7.634152334675581,
"formula_full": "Nd4 Mg1 Ta4 Ti4 O24",
"formula_reduced": "Nd4MgTa4Ti4O24",
"formula_anonymous": "AB4C4D4E24",
"energy": -347.2219959799999,
"energy_per_atom": -9.384378269729728,
"energy_above_hull": null,
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"energy_uncorrected": -330.73399598,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:57.929000Z",
"spacegroup": 1
},
{
"id": "mp-1234296",
"created_at": "2022-09-04T14:46:14.459459Z",
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"formula_full": "Nd4 Mg1 Ta4 Ti4 O24",
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{
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"volume": 208.6992347058005,
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"formula_full": "Nd3 Mg3 Pd3",
"formula_reduced": "NdMgPd",
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{
"id": "mp-1186610",
"created_at": "2022-09-04T14:42:26.336800Z",
"structure_string": "Pm1 Nd1 Mg2\n1.0\n0.000000 3.878436 3.878436\n3.878436 0.000000 3.878436\n3.878436 3.878436 0.000000\nPm Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pm\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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"formula_full": "Pm1 Nd1 Mg2",
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{
"id": "mp-975848",
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"structure_string": "Pr1 Nd1 Mg2\n1.0\n0.000000 3.902680 3.902680\n3.902680 0.000000 3.902680\n3.902680 3.902680 0.000000\nPr Nd Mg\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.500000 0.500000 0.500000 Nd\n0.750000 0.750000 0.750000 Mg\n0.250000 0.250000 0.250000 Mg\n",
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"formula_full": "Pr1 Nd1 Mg2",
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}