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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_stable&page=12128",
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"results": [
{
"id": "mp-1233831",
"created_at": "2022-09-04T14:40:56.409892Z",
"structure_string": "Ca1 Mn9 Cd1 O10\n1.0\n-5.510105 1.715458 2.492127\n2.688524 -4.101958 7.918373\n5.685513 2.084132 2.533980\nCa Mn Cd O\n1 9 1 10\ndirect\n0.731153 0.512088 0.231705 Ca\n0.387476 0.321909 0.377527 Mn\n0.957650 0.043610 0.012274 Mn\n0.474594 0.960125 0.523877 Mn\n0.104690 0.679592 0.110066 Mn\n0.951108 0.144241 0.446820 Mn\n0.454625 0.234994 0.903915 Mn\n0.519067 0.598372 0.653827 Mn\n0.983272 0.393322 0.842391 Mn\n0.018178 0.759626 0.573546 Mn\n0.420316 0.878748 0.026023 Cd\n0.775204 0.007215 0.240720 O\n0.763427 0.361241 0.029277 O\n0.800898 0.244942 0.602502 O\n0.744265 0.619951 0.489307 O\n0.277710 0.173165 0.131444 O\n0.209417 0.815990 0.367440 O\n0.708925 0.740069 0.875020 O\n0.355365 0.111824 0.643007 O\n0.235159 0.461841 0.493491 O\n0.258452 0.538697 0.997249 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Ca",
"Mn",
"Cd",
"O"
],
"chemical_system": "Ca-Cd-Mn-O",
"density": 4.687790245503085,
"density_atomic": 0.07346914392317817,
"volume": 285.83428196683917,
"volume_molar": 8.196829904942073,
"formula_full": "Ca1 Mn9 Cd1 O10",
"formula_reduced": "CaMn9CdO10",
"formula_anonymous": "ABC9D10",
"energy": -172.08667893,
"energy_per_atom": -8.194603758571429,
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"band_gap": 0.7037,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:35:00.358000Z",
"spacegroup": 1
},
{
"id": "mp-1207786",
"created_at": "2022-09-04T14:40:56.334491Z",
"structure_string": "Y6 Fe4 Si6\n1.0\n2.040601 -5.304917 0.000000\n2.040601 5.304917 0.000000\n0.000000 0.000000 13.654600\nY Fe Si\n6 4 6\ndirect\n0.636643 0.363357 0.250000 Y\n0.363357 0.636643 0.750000 Y\n0.921078 0.078922 0.112287 Y\n0.078922 0.921078 0.887713 Y\n0.078922 0.921078 0.612287 Y\n0.921078 0.078922 0.387713 Y\n0.784553 0.215447 0.580454 Fe\n0.215447 0.784553 0.419546 Fe\n0.215447 0.784553 0.080454 Fe\n0.784553 0.215447 0.919546 Fe\n0.325510 0.674490 0.250000 Si\n0.674490 0.325510 0.750000 Si\n0.627491 0.372509 0.040025 Si\n0.372509 0.627491 0.959975 Si\n0.372509 0.627491 0.540025 Si\n0.627491 0.372509 0.459975 Si\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Y",
"Fe",
"Si"
],
"chemical_system": "Fe-Si-Y",
"density": 5.197556054021199,
"density_atomic": 0.054122059712437255,
"volume": 295.6280689428972,
"volume_molar": 11.126961523631945,
"formula_full": "Y6 Fe4 Si6",
"formula_reduced": "Y3Fe2Si3",
"formula_anonymous": "A2B3C3",
"energy": -115.50282507,
"energy_per_atom": -7.218926566875,
"energy_above_hull": null,
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"energy_uncorrected": -115.92882507,
"band_gap": 0.0,
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"total_magnetization": 0.0009277,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:01.005000Z",
"spacegroup": 63
},
{
"id": "mp-555411",
"created_at": "2022-09-04T14:40:56.340021Z",
"structure_string": "Si8 O16\n1.0\n0.000000 5.134880 11.560389\n2.801884 0.000000 11.560389\n2.801884 5.134880 0.000000\nSi O\n8 16\ndirect\n0.998405 0.369705 0.200977 Si\n0.369705 0.998405 0.430913 Si\n0.251595 0.880295 0.049023 Si\n0.049023 0.819087 0.251595 Si\n0.880295 0.251595 0.819087 Si\n0.200977 0.430913 0.998405 Si\n0.819087 0.049023 0.880295 Si\n0.430913 0.200977 0.369705 Si\n0.031945 0.468055 0.031945 O\n0.125000 0.125000 0.125000 O\n0.297639 0.297639 0.202361 O\n0.909614 0.909614 0.590386 O\n0.218055 0.781945 0.218055 O\n0.952361 0.952361 0.047639 O\n0.202361 0.202361 0.297639 O\n0.468055 0.031945 0.468055 O\n0.781945 0.218055 0.781945 O\n0.340386 0.340386 0.659614 O\n0.047639 0.047639 0.952361 O\n0.590386 0.590386 0.909614 O\n0.125000 0.125000 0.625000 O\n0.659614 0.659614 0.340386 O\n0.125000 0.625000 0.125000 O\n0.625000 0.125000 0.125000 O\n",
"nsites": 24,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.3994803438060974,
"density_atomic": 0.07214867304560656,
"volume": 332.64645054288303,
"volume_molar": 8.346848952015083,
"formula_full": "Si8 O16",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -187.74631336,
"energy_per_atom": -7.822763056666666,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -176.75431336,
"band_gap": 1.6065,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.824000Z",
"spacegroup": 70
},
{
"id": "mp-559447",
"created_at": "2022-09-04T14:40:56.341719Z",
"structure_string": "Gd6 Se8 O24 F2\n1.0\n5.287231 -9.157753 0.000000\n5.287231 9.157753 0.000000\n0.000000 0.000000 7.008645\nGd Se O F\n6 8 24 2\ndirect\n0.074817 0.537409 0.415423 Gd\n0.537409 0.462591 0.915423 Gd\n0.537409 0.074817 0.915423 Gd\n0.925183 0.462591 0.915423 Gd\n0.462591 0.537409 0.415423 Gd\n0.462591 0.925183 0.415423 Gd\n0.689218 0.844609 0.648607 Se\n0.310782 0.155391 0.148607 Se\n0.333333 0.666667 0.983546 Se\n0.844609 0.155391 0.148607 Se\n0.155391 0.310782 0.648607 Se\n0.155391 0.844609 0.648607 Se\n0.666667 0.333333 0.483546 Se\n0.844609 0.689218 0.148607 Se\n0.918814 0.334827 0.218642 O\n0.581607 0.418393 0.594019 O\n0.583987 0.918814 0.718642 O\n0.636149 0.818074 0.412730 O\n0.665173 0.081186 0.218642 O\n0.334827 0.918814 0.718642 O\n0.416013 0.081186 0.218642 O\n0.818074 0.636149 0.912730 O\n0.665173 0.583987 0.218642 O\n0.181926 0.818074 0.412730 O\n0.081186 0.416013 0.718642 O\n0.418393 0.581607 0.094019 O\n0.581607 0.163214 0.594019 O\n0.818074 0.181926 0.912730 O\n0.334827 0.416013 0.718642 O\n0.363851 0.181926 0.912730 O\n0.418393 0.836786 0.094019 O\n0.081186 0.665173 0.718642 O\n0.416013 0.334827 0.218642 O\n0.163214 0.581607 0.094019 O\n0.583987 0.665173 0.718642 O\n0.181926 0.363851 0.412730 O\n0.836786 0.418393 0.594019 O\n0.918814 0.583987 0.218642 O\n0.333333 0.666667 0.461393 F\n0.666667 0.333333 0.961393 F\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Gd",
"Se",
"O",
"F"
],
"chemical_system": "F-Gd-O-Se",
"density": 4.886312186815409,
"density_atomic": 0.05893573742861902,
"volume": 678.705344926695,
"volume_molar": 10.218147804282275,
"formula_full": "Gd6 Se8 O24 F2",
"formula_reduced": "Gd3Se4O12F",
"formula_anonymous": "AB3C4D12",
"energy": -333.25688075000005,
"energy_per_atom": -8.33142201875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -315.84488075,
"band_gap": 2.768,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 42.000964,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:56.544000Z",
"spacegroup": 186
},
{
"id": "mp-558456",
"created_at": "2022-09-04T14:40:56.364541Z",
"structure_string": "Hg6 Se8 O10\n1.0\n7.908418 0.000000 0.000000\n-2.338065 7.593361 0.000000\n-3.310792 -1.771096 8.731726\nHg Se O\n6 8 10\ndirect\n0.013622 0.476791 0.717852 Hg\n0.270518 0.803779 0.089173 Hg\n0.015780 0.989140 0.771567 Hg\n0.729482 0.196221 0.910827 Hg\n0.986378 0.523209 0.282148 Hg\n0.984220 0.010860 0.228433 Hg\n0.221470 0.847515 0.340937 Se\n0.652246 0.638023 0.908281 Se\n0.240183 0.806632 0.811792 Se\n0.347754 0.361977 0.091719 Se\n0.759817 0.193368 0.188208 Se\n0.627256 0.663990 0.389633 Se\n0.778530 0.152485 0.659063 Se\n0.372744 0.336010 0.610367 Se\n0.430709 0.438037 0.304489 O\n0.171955 0.391227 0.543226 O\n0.790343 0.853488 0.924487 O\n0.183108 0.464185 0.026995 O\n0.209657 0.146512 0.075513 O\n0.816892 0.535815 0.973005 O\n0.626707 0.742604 0.228123 O\n0.569291 0.561963 0.695511 O\n0.828045 0.608773 0.456774 O\n0.373293 0.257396 0.771877 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Hg",
"Se",
"O"
],
"chemical_system": "Hg-O-Se",
"density": 6.3185120561249715,
"density_atomic": 0.045770692076809255,
"volume": 524.3530064986746,
"volume_molar": 13.157198387767554,
"formula_full": "Hg6 Se8 O10",
"formula_reduced": "Hg3Se4O5",
"formula_anonymous": "A3B4C5",
"energy": -99.05283084,
"energy_per_atom": -4.127201285,
"energy_above_hull": null,
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"band_gap": 1.8293,
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"total_magnetization": 0.0003485,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.109000Z",
"spacegroup": 2
},
{
"id": "mp-1197797",
"created_at": "2022-09-04T14:40:56.413535Z",
"structure_string": "K6 Ta4 Cu6 S16\n1.0\n2.787541 11.891048 0.000000\n-2.787541 11.891048 0.000000\n0.000000 7.318336 12.479257\nK Ta Cu S\n6 4 6 16\ndirect\n0.728902 0.652793 0.405771 K\n0.347207 0.271098 0.094229 K\n0.271098 0.347207 0.594229 K\n0.652793 0.728902 0.905771 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 K\n0.155842 0.591791 0.280268 Ta\n0.408209 0.844158 0.219732 Ta\n0.844158 0.408209 0.719732 Ta\n0.591791 0.155842 0.780268 Ta\n0.278327 0.721673 0.250000 Cu\n0.721673 0.278327 0.750000 Cu\n0.905451 0.341441 0.218424 Cu\n0.658559 0.094549 0.281576 Cu\n0.094549 0.658559 0.781576 Cu\n0.341441 0.905451 0.718424 Cu\n0.957925 0.860517 0.373298 S\n0.139483 0.042075 0.126702 S\n0.042075 0.139483 0.626702 S\n0.860517 0.957925 0.873298 S\n0.478625 0.442401 0.160921 S\n0.557599 0.521375 0.339079 S\n0.521375 0.557599 0.839079 S\n0.442401 0.478625 0.660921 S\n0.873016 0.812756 0.187842 S\n0.187244 0.126984 0.312158 S\n0.126984 0.187244 0.812158 S\n0.812756 0.873016 0.687842 S\n0.739987 0.679706 0.109699 S\n0.320294 0.260013 0.390301 S\n0.260013 0.320294 0.890301 S\n0.679706 0.739987 0.609699 S\n",
"nsites": 32,
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"elements": [
"K",
"Ta",
"Cu",
"S"
],
"chemical_system": "Cu-K-S-Ta",
"density": 3.718719749910351,
"density_atomic": 0.03868030214660859,
"volume": 827.2944683501055,
"volume_molar": 15.569011682417814,
"formula_full": "K6 Ta4 Cu6 S16",
"formula_reduced": "K3Ta2Cu3S8",
"formula_anonymous": "A2B3C3D8",
"energy": -184.19698751,
"energy_per_atom": -5.7561558596875,
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"updated_at": "2021-11-28T01:35:20.855000Z",
"spacegroup": 15
},
{
"id": "mp-1185771",
"created_at": "2022-09-04T14:40:56.422497Z",
"structure_string": "Mg2 Pd1\n1.0\n-1.638832 1.638832 5.050812\n1.638832 -1.638832 5.050812\n1.638832 1.638832 -5.050812\nMg Pd\n2 1\ndirect\n0.648258 0.648258 0.000000 Mg\n0.351742 0.351742 0.000000 Mg\n0.000000 0.000000 0.000000 Pd\n",
"nsites": 3,
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"elements": [
"Mg",
"Pd"
],
"chemical_system": "Mg-Pd",
"density": 4.744328789210988,
"density_atomic": 0.05528803932830255,
"volume": 54.261283931337886,
"volume_molar": 10.892302988428098,
"formula_full": "Mg2 Pd1",
"formula_reduced": "Mg2Pd",
"formula_anonymous": "AB2",
"energy": -9.95569919,
"energy_per_atom": -3.3185663966666668,
"energy_above_hull": null,
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"energy_uncorrected": -9.95569919,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:21.156000Z",
"spacegroup": 139
},
{
"id": "mp-1198179",
"created_at": "2022-09-04T14:40:56.442796Z",
"structure_string": "Dy8 Fe24 Co32 B4\n1.0\n8.680362 0.000000 0.000000\n0.000000 8.680362 0.000000\n0.000000 0.000000 11.643872\nDy Fe Co B\n8 24 32 4\ndirect\n0.230160 0.769840 0.500000 Dy\n0.769840 0.230160 0.500000 Dy\n0.269840 0.269840 0.000000 Dy\n0.730160 0.730160 0.000000 Dy\n0.644706 0.644706 0.500000 Dy\n0.355294 0.355294 0.500000 Dy\n0.855294 0.144706 0.000000 Dy\n0.144706 0.855294 0.000000 Dy\n0.000000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.500000 0.115867 Fe\n0.000000 0.000000 0.615867 Fe\n0.500000 0.500000 0.884133 Fe\n0.000000 0.000000 0.384133 Fe\n0.932980 0.723217 0.371575 Fe\n0.067020 0.276783 0.371575 Fe\n0.567020 0.223217 0.871575 Fe\n0.432980 0.776783 0.871575 Fe\n0.067020 0.276783 0.628425 Fe\n0.932980 0.723217 0.628425 Fe\n0.432980 0.776783 0.128425 Fe\n0.567020 0.223217 0.128425 Fe\n0.723217 0.932980 0.371575 Fe\n0.276783 0.067020 0.371575 Fe\n0.223217 0.567020 0.871575 Fe\n0.776783 0.432980 0.871575 Fe\n0.276783 0.067020 0.628425 Fe\n0.723217 0.932980 0.628425 Fe\n0.776783 0.432980 0.128425 Fe\n0.223217 0.567020 0.128425 Fe\n0.182494 0.817506 0.252551 Co\n0.817506 0.182494 0.252551 Co\n0.317506 0.317506 0.752551 Co\n0.682494 0.682494 0.752551 Co\n0.817506 0.182494 0.747449 Co\n0.182494 0.817506 0.747449 Co\n0.682494 0.682494 0.247449 Co\n0.317506 0.317506 0.247449 Co\n0.401661 0.598339 0.297146 Co\n0.598339 0.401661 0.297146 Co\n0.098339 0.098339 0.797145 Co\n0.901661 0.901661 0.797145 Co\n0.598339 0.401661 0.702855 Co\n0.401661 0.598339 0.702855 Co\n0.901661 0.901661 0.202854 Co\n0.098339 0.098339 0.202854 Co\n0.142193 0.536955 0.323274 Co\n0.857807 0.463045 0.323274 Co\n0.357807 0.036955 0.823274 Co\n0.642193 0.963045 0.823274 Co\n0.857807 0.463045 0.676726 Co\n0.142193 0.536955 0.676726 Co\n0.642193 0.963045 0.176726 Co\n0.357807 0.036955 0.176726 Co\n0.536955 0.142193 0.323274 Co\n0.463045 0.857807 0.323274 Co\n0.036955 0.357807 0.823274 Co\n0.963045 0.642193 0.823274 Co\n0.463045 0.857807 0.676726 Co\n0.536955 0.142193 0.676726 Co\n0.963045 0.642193 0.176726 Co\n0.036955 0.357807 0.176726 Co\n0.873872 0.873872 0.500000 B\n0.126128 0.126128 0.500000 B\n0.626128 0.373872 0.000000 B\n0.373872 0.626128 0.000000 B\n",
"nsites": 68,
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"elements": [
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"Co",
"B"
],
"chemical_system": "B-Co-Dy-Fe",
"density": 8.648362206148047,
"density_atomic": 0.07750608778802309,
"volume": 877.3504371163467,
"volume_molar": 7.769893864944366,
"formula_full": "Dy8 Fe24 Co32 B4",
"formula_reduced": "Dy2Fe6Co8B",
"formula_anonymous": "AB2C6D8",
"energy": -504.88896294,
"energy_per_atom": -7.424837690294118,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:57.823000Z",
"spacegroup": 136
},
{
"id": "mp-1207694",
"created_at": "2022-09-04T14:40:57.100704Z",
"structure_string": "Tm4 Sb4 Ir4\n1.0\n4.470073 0.000000 0.000000\n0.000000 7.110444 0.000000\n0.000000 0.000000 7.978782\nTm Sb Ir\n4 4 4\ndirect\n0.250000 0.512188 0.188434 Tm\n0.750000 0.487812 0.811566 Tm\n0.750000 0.987812 0.688434 Tm\n0.250000 0.012188 0.311566 Tm\n0.250000 0.674745 0.588387 Sb\n0.750000 0.325255 0.411613 Sb\n0.750000 0.825255 0.088387 Sb\n0.250000 0.174745 0.911613 Sb\n0.250000 0.786082 0.908712 Ir\n0.750000 0.213918 0.091288 Ir\n0.750000 0.713918 0.408712 Ir\n0.250000 0.286082 0.591288 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Tm",
"Sb",
"Ir"
],
"chemical_system": "Ir-Sb-Tm",
"density": 12.648191737064554,
"density_atomic": 0.04731875515566978,
"volume": 253.59923270428953,
"volume_molar": 12.726752299776894,
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