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{
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"results": [
{
"id": "mp-1042039",
"created_at": "2022-09-04T14:44:04.507153Z",
"structure_string": "Mg2 Cr2 P4 O14\n1.0\n5.479820 -0.063046 0.238456\n2.065819 6.105378 0.938549\n0.060658 0.099456 7.515783\nMg Cr P O\n2 2 4 14\ndirect\n0.330187 0.656423 0.645368 Mg\n0.669827 0.343600 0.354550 Mg\n0.279402 0.158934 0.177249 Cr\n0.720155 0.841097 0.823248 Cr\n0.184777 0.685546 0.091473 P\n0.815246 0.314408 0.908449 P\n0.221378 0.200035 0.617754 P\n0.778717 0.799941 0.382242 P\n0.101946 0.689721 0.897194 O\n0.897951 0.310297 0.102778 O\n0.301578 0.862981 0.108893 O\n0.698494 0.136982 0.891060 O\n0.355160 0.456391 0.174142 O\n0.644930 0.543559 0.825689 O\n0.608930 0.651242 0.430012 O\n0.391091 0.348744 0.569938 O\n0.024222 0.225048 0.474719 O\n0.975951 0.775041 0.525186 O\n0.084767 0.275540 0.802266 O\n0.619898 0.042149 0.325018 O\n0.380126 0.957840 0.675069 O\n0.915271 0.724475 0.197704 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Cr",
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"O"
],
"chemical_system": "Cr-Mg-O-P",
"density": 3.2995745435595567,
"density_atomic": 0.08734481369273084,
"volume": 251.87528680745152,
"volume_molar": 6.894674686908383,
"formula_full": "Mg2 Cr2 P4 O14",
"formula_reduced": "MgCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -174.19509852,
"energy_per_atom": -7.917959023636363,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:30.104000Z",
"spacegroup": 2
},
{
"id": "mp-1042037",
"created_at": "2022-09-04T14:42:40.079910Z",
"structure_string": "Mg4 Fe4 P8 O28\n1.0\n5.576253 -0.109018 0.256558\n-1.437072 12.182485 1.436845\n0.083547 -0.009812 7.416073\nMg Fe P O\n4 4 8 28\ndirect\n0.658980 0.328363 0.651738 Mg\n0.158850 0.828349 0.651901 Mg\n0.840939 0.171636 0.348356 Mg\n0.341166 0.671641 0.348077 Mg\n0.837062 0.579156 0.199507 Fe\n0.662954 0.920874 0.800431 Fe\n0.336874 0.079157 0.200327 Fe\n0.163024 0.420785 0.799747 Fe\n0.530990 0.341335 0.093571 P\n0.031457 0.841356 0.093666 P\n0.968946 0.158640 0.906497 P\n0.468656 0.658652 0.906237 P\n0.324155 0.099725 0.613552 P\n0.824075 0.599767 0.613160 P\n0.175799 0.400293 0.386488 P\n0.676004 0.900241 0.386798 P\n0.455694 0.344016 0.897251 O\n0.955584 0.844027 0.897488 O\n0.044174 0.155904 0.102837 O\n0.544405 0.655942 0.102457 O\n0.732578 0.432107 0.117852 O\n0.233006 0.932213 0.117756 O\n0.767427 0.067865 0.882127 O\n0.267206 0.567783 0.882054 O\n0.581640 0.225763 0.171098 O\n0.082149 0.725739 0.170884 O\n0.918213 0.274212 0.829038 O\n0.417874 0.774264 0.829069 O\n0.935153 0.323949 0.431387 O\n0.435458 0.823821 0.431504 O\n0.564821 0.176057 0.568690 O\n0.064643 0.676172 0.568438 O\n0.152847 0.110505 0.458710 O\n0.653090 0.610341 0.458116 O\n0.347133 0.389519 0.541311 O\n0.847001 0.889664 0.541827 O\n0.213420 0.140848 0.793594 O\n0.712840 0.641003 0.792903 O\n0.286522 0.359193 0.206422 O\n0.787349 0.859099 0.206997 O\n0.643132 0.020398 0.329858 O\n0.143121 0.520482 0.329668 O\n0.856798 0.479604 0.670235 O\n0.356796 0.979532 0.670372 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 3.35906674281415,
"density_atomic": 0.08757274563379469,
"volume": 502.4394254348949,
"volume_molar": 6.876729416687412,
"formula_full": "Mg4 Fe4 P8 O28",
"formula_reduced": "MgFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -340.19399051,
"energy_per_atom": -7.7316816025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -311.93399051,
"band_gap": 4.082,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.192000Z",
"spacegroup": 2
},
{
"id": "mp-1042036",
"created_at": "2022-09-04T14:48:09.026254Z",
"structure_string": "Ca2 W4 O8\n1.0\n-3.184163 3.383196 4.551266\n3.184163 -3.383196 4.551266\n3.184163 3.383196 -4.551266\nCa W O\n2 4 8\ndirect\n0.500000 0.500000 0.000000 Ca\n0.000000 0.500000 0.500000 Ca\n0.605226 0.855226 0.750000 W\n0.394774 0.144774 0.250000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.239060 0.235666 0.496606 O\n0.208214 0.237733 0.970481 O\n0.239060 0.742454 0.003394 O\n0.767252 0.237733 0.529519 O\n0.232748 0.762267 0.470481 O\n0.791786 0.762267 0.029519 O\n0.760940 0.257546 0.996606 O\n0.760940 0.764334 0.503394 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"W",
"O"
],
"chemical_system": "Ca-O-W",
"density": 7.988799050092637,
"density_atomic": 0.07138605387990409,
"volume": 196.11673764111993,
"volume_molar": 8.436018567620106,
"formula_full": "Ca2 W4 O8",
"formula_reduced": "Ca(WO2)2",
"formula_anonymous": "AB2C4",
"energy": -121.20366350999998,
"energy_per_atom": -8.65740453642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.95566351,
"band_gap": 0.3711000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0053629,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.371000Z",
"spacegroup": 74
},
{
"id": "mp-1042028",
"created_at": "2022-09-04T14:44:20.287563Z",
"structure_string": "Ca2 Mn4 O8\n1.0\n-3.094572 3.174547 4.526037\n3.094572 -3.174547 4.526037\n3.094572 3.174547 -4.526037\nCa Mn O\n2 4 8\ndirect\n0.000000 0.500000 0.500000 Ca\n0.500000 0.500000 0.000000 Ca\n0.142866 0.892866 0.250000 Mn\n0.857134 0.107134 0.750000 Mn\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.713545 0.212002 0.998457 O\n0.706992 0.243701 0.463290 O\n0.713545 0.715088 0.501543 O\n0.280411 0.243701 0.036710 O\n0.719589 0.756299 0.963290 O\n0.293008 0.756299 0.536710 O\n0.286455 0.284912 0.498457 O\n0.286455 0.787998 0.001543 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O",
"density": 3.995161778734826,
"density_atomic": 0.07871682910838079,
"volume": 177.85269247474622,
"volume_molar": 7.6503853473422465,
"formula_full": "Ca2 Mn4 O8",
"formula_reduced": "CaMn2O4",
"formula_anonymous": "AB2C4",
"energy": -112.11073127,
"energy_per_atom": -8.007909376428572,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -99.94273127,
"band_gap": 0.0522,
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"is_magnetic": true,
"total_magnetization": 15.9999257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:32.712000Z",
"spacegroup": 74
},
{
"id": "mp-1042026",
"created_at": "2022-09-04T14:45:22.705356Z",
"structure_string": "Mg4 Mn4 P8 O28\n1.0\n-3.450430 6.218409 0.598135\n-5.378683 0.136699 7.134110\n5.658219 -0.038874 7.764111\nMg Mn P O\n4 4 8 28\ndirect\n0.653874 0.832200 0.816695 Mg\n0.653915 0.332245 0.316687 Mg\n0.346146 0.667780 0.683310 Mg\n0.346094 0.167749 0.183322 Mg\n0.158554 0.379306 0.807943 Mn\n0.841432 0.120685 0.692059 Mn\n0.158534 0.878966 0.307835 Mn\n0.841428 0.621064 0.192181 Mn\n0.684604 0.602804 0.485657 P\n0.684512 0.102776 0.985621 P\n0.315394 0.897198 0.014339 P\n0.315490 0.397233 0.514374 P\n0.196896 0.097610 0.516149 P\n0.196885 0.597608 0.016242 P\n0.803110 0.402383 0.983849 P\n0.803119 0.902383 0.483763 P\n0.682424 0.051109 0.845804 O\n0.682624 0.551025 0.345906 O\n0.317570 0.448883 0.654199 O\n0.317372 0.948981 0.154089 O\n0.862568 0.458308 0.638855 O\n0.862421 0.958078 0.138788 O\n0.137436 0.041696 0.861138 O\n0.137583 0.541945 0.361213 O\n0.459050 0.677047 0.496403 O\n0.458975 0.177067 0.996394 O\n0.540950 0.822957 0.003595 O\n0.541033 0.322949 0.503608 O\n0.651476 0.582976 0.845560 O\n0.651520 0.083009 0.345530 O\n0.348537 0.917021 0.654441 O\n0.348499 0.416984 0.154477 O\n0.222120 0.099037 0.361078 O\n0.222098 0.599142 0.861133 O\n0.777860 0.400952 0.138915 O\n0.777885 0.900849 0.638865 O\n0.268424 0.229937 0.566673 O\n0.268546 0.729808 0.066893 O\n0.731572 0.270072 0.933291 O\n0.731441 0.770202 0.433092 O\n0.042096 0.833477 0.499306 O\n0.042069 0.333532 0.999343 O\n0.957914 0.666503 0.000715 O\n0.957938 0.166459 0.500668 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"P",
"O"
],
"chemical_system": "Mg-Mn-O-P",
"density": 3.325213530876246,
"density_atomic": 0.0870007118811554,
"volume": 505.74298817353156,
"volume_molar": 6.921944234463688,
"formula_full": "Mg4 Mn4 P8 O28",
"formula_reduced": "MgMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -347.32243846,
"energy_per_atom": -7.8936917831818185,
"energy_above_hull": null,
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"energy_uncorrected": -321.41443846,
"band_gap": 3.7258,
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"is_magnetic": true,
"total_magnetization": 1e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:12.756000Z",
"spacegroup": 2
},
{
"id": "mp-1042021",
"created_at": "2022-09-04T14:42:52.109681Z",
"structure_string": "Ca4 Fe4 P8 O28\n1.0\n6.217950 -0.037324 0.190653\n2.372337 6.123040 8.136101\n-2.369988 -6.105250 6.472567\nCa Fe P O\n4 4 8 28\ndirect\n0.303563 0.673893 0.968386 Ca\n0.303560 0.173865 0.468410 Ca\n0.696477 0.326095 0.031639 Ca\n0.696562 0.826126 0.531688 Ca\n0.254868 0.661586 0.531519 Fe\n0.745358 0.338578 0.468533 Fe\n0.254936 0.161632 0.031518 Fe\n0.745171 0.838338 0.968481 Fe\n0.167756 0.389121 0.730020 P\n0.167761 0.889140 0.230084 P\n0.832235 0.610946 0.270011 P\n0.832251 0.110851 0.769920 P\n0.235634 0.417926 0.200255 P\n0.235768 0.917937 0.700290 P\n0.764344 0.582059 0.799749 P\n0.764262 0.082023 0.299711 P\n0.083673 0.823876 0.093448 O\n0.083667 0.323891 0.593402 O\n0.916353 0.176083 0.906563 O\n0.916324 0.676087 0.406671 O\n0.255047 0.508165 0.690221 O\n0.255082 0.008169 0.190500 O\n0.744679 0.491973 0.309656 O\n0.744727 0.991829 0.809430 O\n0.334704 0.284140 0.863768 O\n0.334683 0.784174 0.363858 O\n0.665312 0.715888 0.136219 O\n0.665366 0.215824 0.636142 O\n0.636693 0.540985 0.910693 O\n0.636701 0.040902 0.410641 O\n0.363236 0.459028 0.089321 O\n0.363345 0.959014 0.589313 O\n0.100390 0.318159 0.146747 O\n0.100667 0.818143 0.646773 O\n0.899586 0.681827 0.853212 O\n0.899304 0.181859 0.353209 O\n0.058248 0.556324 0.207957 O\n0.058361 0.056299 0.707925 O\n0.941666 0.443656 0.792051 O\n0.941637 0.943650 0.292101 O\n0.608331 0.137876 0.138328 O\n0.608450 0.637884 0.638386 O\n0.391579 0.362091 0.361606 O\n0.391689 0.862092 0.861648 O\n",
"nsites": 44,
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"elements": [
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"Fe",
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"O"
],
"chemical_system": "Ca-Fe-O-P",
"density": 3.2204909530311454,
"density_atomic": 0.07905274919140554,
"volume": 556.59038363695,
"volume_molar": 7.617876445282078,
"formula_full": "Ca4 Fe4 P8 O28",
"formula_reduced": "CaFeP2O7",
"formula_anonymous": "ABC2D7",
"energy": -346.426301,
"energy_per_atom": -7.873325022727273,
"energy_above_hull": null,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:54.222000Z",
"spacegroup": 2
},
{
"id": "mp-1042020",
"created_at": "2022-09-04T14:39:22.308718Z",
"structure_string": "Ca2 Ni4 O8\n1.0\n-3.104742 3.112393 4.240925\n3.104742 -3.112393 4.240925\n3.104742 3.112393 -4.240925\nCa Ni O\n2 4 8\ndirect\n0.500000 0.000000 0.000000 Ca\n0.500000 0.500000 0.500000 Ca\n0.889261 0.139261 0.750000 Ni\n0.110739 0.860739 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.738014 0.727781 0.010233 O\n0.232623 0.723712 0.991089 O\n0.217548 0.727781 0.489767 O\n0.232623 0.241534 0.508911 O\n0.767377 0.758466 0.491089 O\n0.767377 0.276288 0.008911 O\n0.782452 0.272219 0.510233 O\n0.261986 0.272219 0.989767 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Ca",
"Ni",
"O"
],
"chemical_system": "Ca-Ni-O",
"density": 4.4868191539138875,
"density_atomic": 0.08540582764031192,
"volume": 163.9232402144879,
"volume_molar": 7.0512059029067045,
"formula_full": "Ca2 Ni4 O8",
"formula_reduced": "Ca(NiO2)2",
"formula_anonymous": "AB2C4",
"energy": -86.6612214,
"energy_per_atom": -6.190087242857143,
"energy_above_hull": null,
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"energy_uncorrected": -71.0012214,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 8.0000224,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.631000Z",
"spacegroup": 74
},
{
"id": "mp-1042019",
"created_at": "2022-09-04T14:41:27.197286Z",
"structure_string": "Ni4 O8\n1.0\n-2.780955 2.947251 3.787533\n2.780955 -2.947251 3.787533\n2.780955 2.947251 -3.787533\nNi O\n4 8\ndirect\n0.627165 0.877165 0.750000 Ni\n0.372835 0.122835 0.250000 Ni\n0.500000 0.500000 0.000000 Ni\n0.000000 0.500000 0.500000 Ni\n0.251588 0.255909 0.995679 O\n0.246941 0.280761 0.533821 O\n0.760230 0.255909 0.504321 O\n0.246941 0.713120 0.966179 O\n0.753059 0.286880 0.033821 O\n0.753059 0.719239 0.466179 O\n0.239770 0.744091 0.495679 O\n0.748412 0.744091 0.004321 O\n",
"nsites": 12,
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"elements": [
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"O"
],
"chemical_system": "Ni-O",
"density": 4.8512261874342135,
"density_atomic": 0.09663929302439342,
"volume": 124.17309382603817,
"volume_molar": 6.231565413542407,
"formula_full": "Ni4 O8",
"formula_reduced": "NiO2",
"formula_anonymous": "AB2",
"energy": -66.95757793,
"energy_per_atom": -5.579798160833334,
"energy_above_hull": null,
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"energy_uncorrected": -51.29757793,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:35:24.133000Z",
"spacegroup": 74
},
{
"id": "mp-1042016",
"created_at": "2022-09-04T14:46:30.146908Z",
"structure_string": "Ca2 Ni2 P4 O14\n1.0\n6.311977 -0.005096 0.114924\n2.426464 6.041151 0.776717\n-0.098833 0.032044 7.018089\nCa Ni P O\n2 2 4 14\ndirect\n0.296642 0.727437 0.624234 Ca\n0.703317 0.272597 0.375730 Ca\n0.751641 0.871789 0.804154 Ni\n0.248384 0.128018 0.195678 Ni\n0.162151 0.658970 0.120967 P\n0.837865 0.341074 0.879072 P\n0.246658 0.219631 0.626583 P\n0.753319 0.780360 0.373388 P\n0.079745 0.747486 0.910033 O\n0.920263 0.252589 0.089988 O\n0.243387 0.811308 0.222182 O\n0.756556 0.188722 0.777879 O\n0.325749 0.415985 0.144346 O\n0.674315 0.584044 0.855706 O\n0.642571 0.620770 0.451003 O\n0.357414 0.379248 0.548991 O\n0.119834 0.155321 0.469216 O\n0.880162 0.844656 0.530810 O\n0.067075 0.348446 0.772855 O\n0.932959 0.651554 0.227189 O\n0.588021 0.997678 0.261386 O\n0.411978 0.002318 0.738614 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
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"Ni",
"P",
"O"
],
"chemical_system": "Ca-Ni-O-P",
"density": 3.3843193345817917,
"density_atomic": 0.0822065337343234,
"volume": 267.6186307903458,
"volume_molar": 7.325623020990602,
"formula_full": "Ca2 Ni2 P4 O14",
"formula_reduced": "CaNiP2O7",
"formula_anonymous": "ABC2D7",
"energy": -166.14812263,
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"energy_above_hull": null,
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},
{
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"structure_string": "Mg4 Co4 P8 O28\n1.0\n5.616905 -0.118413 0.236071\n2.117777 5.910041 8.171458\n-2.009823 -6.026977 6.586221\nMg Co P O\n4 4 8 28\ndirect\n0.333870 0.657503 0.999786 Mg\n0.333597 0.157524 0.499759 Mg\n0.666051 0.342487 0.000155 Mg\n0.666244 0.842511 0.500220 Mg\n0.250265 0.685979 0.524645 Co\n0.750503 0.313916 0.475754 Co\n0.250008 0.185938 0.024542 Co\n0.750297 0.813927 0.975776 Co\n0.186907 0.389852 0.705939 P\n0.187192 0.889891 0.206014 P\n0.813012 0.610091 0.294049 P\n0.812831 0.110167 0.793970 P\n0.228362 0.406368 0.206345 P\n0.228398 0.906286 0.706427 P\n0.771563 0.593690 0.793666 P\n0.771647 0.093659 0.293575 P\n0.111665 0.795052 0.102775 O\n0.111043 0.295091 0.602612 O\n0.888542 0.204930 0.897360 O\n0.888648 0.704960 0.397210 O\n0.296635 0.497447 0.632643 O\n0.296820 0.997526 0.132627 O\n0.703488 0.502430 0.367321 O\n0.703343 0.002442 0.867246 O\n0.352353 0.307718 0.860338 O\n0.352516 0.807749 0.360418 O\n0.647557 0.692277 0.139598 O\n0.647137 0.192160 0.639545 O\n0.613574 0.537914 0.894798 O\n0.613745 0.037931 0.394858 O\n0.386404 0.462101 0.105176 O\n0.386295 0.962128 0.605159 O\n0.050588 0.334760 0.119085 O\n0.050620 0.834698 0.619130 O\n0.949379 0.665328 0.880899 O\n0.949178 0.165372 0.380780 O\n0.071671 0.537949 0.251996 O\n0.071626 0.037835 0.752122 O\n0.928269 0.462185 0.747877 O\n0.928371 0.962170 0.247769 O\n0.617119 0.185274 0.144493 O\n0.617138 0.685257 0.644463 O\n0.382976 0.814769 0.855581 O\n0.382562 0.314754 0.355498 O\n",
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],
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"density": 3.425712604266182,
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"volume_molar": 6.824897702659925,
"formula_full": "Mg4 Co4 P8 O28",
"formula_reduced": "MgCoP2O7",
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},
{
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"structure_string": "Ca4 V4 P8 O28\n1.0\n6.313761 0.010624 0.167517\n-1.404718 12.382038 1.419349\n-0.016933 -0.008172 7.149255\nCa V P O\n4 4 8 28\ndirect\n0.659636 0.355319 0.635414 Ca\n0.159636 0.855283 0.635487 Ca\n0.840359 0.144716 0.364513 Ca\n0.340363 0.644679 0.364579 Ca\n0.822242 0.565885 0.187131 V\n0.177765 0.434112 0.812870 V\n0.322285 0.065868 0.187202 V\n0.677715 0.934134 0.812817 V\n0.500612 0.329108 0.121923 P\n0.000593 0.829095 0.121931 P\n0.999411 0.170905 0.878074 P\n0.499389 0.670892 0.878073 P\n0.345613 0.110276 0.620830 P\n0.845612 0.610242 0.620830 P\n0.154389 0.389759 0.379165 P\n0.654384 0.889722 0.379174 P\n0.456451 0.366152 0.915393 O\n0.956399 0.866151 0.915434 O\n0.043603 0.133849 0.084570 O\n0.543553 0.633847 0.084603 O\n0.655317 0.407083 0.212404 O\n0.155301 0.907065 0.212448 O\n0.844700 0.092935 0.787560 O\n0.344685 0.592918 0.787589 O\n0.550987 0.211523 0.149548 O\n0.050991 0.711512 0.149523 O\n0.949013 0.288487 0.850476 O\n0.449011 0.788477 0.850453 O\n0.955540 0.315098 0.447705 O\n0.455519 0.815071 0.447699 O\n0.544474 0.184926 0.552297 O\n0.044459 0.684905 0.552288 O\n0.191443 0.085898 0.462618 O\n0.691456 0.585841 0.462630 O\n0.308543 0.414160 0.537365 O\n0.808544 0.914099 0.537394 O\n0.232158 0.174781 0.768448 O\n0.732150 0.674727 0.768474 O\n0.267850 0.325274 0.231521 O\n0.767847 0.825219 0.231558 O\n0.107510 0.497877 0.271059 O\n0.607553 0.997845 0.271079 O\n0.392449 0.002153 0.728919 O\n0.892495 0.502124 0.728934 O\n",
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"elements": [
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],
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"volume": 559.1256590622113,
"volume_molar": 7.652575957728195,
"formula_full": "Ca4 V4 P8 O28",
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},
{
"id": "mp-1042006",
"created_at": "2022-09-04T14:48:03.217517Z",
"structure_string": "Ca4 Mn4 P8 O28\n1.0\n-0.005692 0.000514 7.288973\n8.694615 6.224432 1.000937\n-3.811346 6.183301 0.636090\nCa Mn P O\n4 4 8 28\ndirect\n0.641572 0.506217 0.197598 Ca\n0.641569 0.006223 0.697640 Ca\n0.358429 0.493787 0.802402 Ca\n0.358424 0.993772 0.302358 Ca\n0.193125 0.692701 0.438545 Mn\n0.806901 0.307294 0.561466 Mn\n0.193052 0.192604 0.938435 Mn\n0.806958 0.807400 0.061562 Mn\n0.120400 0.414997 0.242477 P\n0.120423 0.915003 0.742459 P\n0.879597 0.585008 0.757521 P\n0.879576 0.084995 0.257542 P\n0.620519 0.226154 0.994075 P\n0.620560 0.726167 0.494056 P\n0.379482 0.773845 0.005929 P\n0.379441 0.273836 0.505939 P\n0.917880 0.408934 0.320869 O\n0.917900 0.908943 0.820837 O\n0.082119 0.591066 0.679130 O\n0.082100 0.091050 0.179164 O\n0.204504 0.533374 0.281030 O\n0.204481 0.033391 0.781047 O\n0.795492 0.466630 0.718969 O\n0.795513 0.966607 0.218957 O\n0.148131 0.382231 0.039776 O\n0.148172 0.882227 0.539769 O\n0.851863 0.617772 0.960222 O\n0.851824 0.117775 0.460231 O\n0.448857 0.636116 0.995825 O\n0.448867 0.136103 0.495829 O\n0.551140 0.363883 0.004176 O\n0.551119 0.863897 0.504158 O\n0.465976 0.136699 0.038523 O\n0.466061 0.636689 0.538509 O\n0.534030 0.863297 0.961481 O\n0.533944 0.363312 0.461491 O\n0.767671 0.203350 0.147112 O\n0.767647 0.703376 0.647094 O\n0.232340 0.796650 0.852883 O\n0.232350 0.296632 0.352904 O\n0.275543 0.804282 0.192934 O\n0.275534 0.304288 0.692952 O\n0.724452 0.195712 0.807069 O\n0.724466 0.695708 0.307047 O\n",
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"formula_full": "Ca4 Mn4 P8 O28",
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}
]
}