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{
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"results": [
{
"id": "mp-1177440",
"created_at": "2022-09-04T14:47:03.582160Z",
"structure_string": "Li4 Mn2 Fe1 Ni3 P6 O24\n1.0\n8.458266 0.000000 0.000000\n3.927931 7.602146 0.000000\n3.932493 2.441832 7.210036\nLi Mn Fe Ni P O\n4 2 1 3 6 24\ndirect\n0.252156 0.646498 0.851883 Li\n0.727927 0.350740 0.147902 Li\n0.350415 0.146739 0.729333 Li\n0.147472 0.725700 0.350798 Li\n0.986291 0.003285 0.998056 Mn\n0.511066 0.501081 0.496180 Mn\n0.148300 0.148528 0.154309 Fe\n0.856039 0.853657 0.852360 Ni\n0.643755 0.646635 0.645934 Ni\n0.354032 0.349318 0.352277 Ni\n0.752194 0.044764 0.454705 P\n0.447444 0.750335 0.042871 P\n0.051819 0.456358 0.753390 P\n0.950233 0.550929 0.252847 P\n0.552308 0.249797 0.951932 P\n0.251400 0.951247 0.552599 P\n0.887531 0.500901 0.697106 O\n0.689288 0.890834 0.486014 O\n0.946624 0.735748 0.086616 O\n0.456140 0.692415 0.894578 O\n0.990798 0.388534 0.191060 O\n0.756499 0.565677 0.405984 O\n0.744415 0.095847 0.925495 O\n0.544274 0.414853 0.766964 O\n0.818884 0.011025 0.606478 O\n0.401832 0.754100 0.569089 O\n0.905569 0.073942 0.253419 O\n0.610650 0.809836 0.994638 O\n0.389497 0.182053 0.999057 O\n0.099182 0.925209 0.748000 O\n0.596856 0.243600 0.431451 O\n0.185875 0.992259 0.392839 O\n0.432195 0.593984 0.240472 O\n0.247902 0.906595 0.077812 O\n0.249074 0.428009 0.594824 O\n0.040295 0.603998 0.813777 O\n0.529684 0.309986 0.106478 O\n0.073071 0.255867 0.907726 O\n0.315843 0.104448 0.526222 O\n0.105170 0.521668 0.319523 O\n",
"nsites": 40,
"nelements": 6,
"elements": [
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"Mn",
"Fe",
"Ni",
"P",
"O"
],
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"density": 3.3646636211384253,
"density_atomic": 0.08627898218669607,
"volume": 463.612330445037,
"volume_molar": 6.979846780029115,
"formula_full": "Li4 Mn2 Fe1 Ni3 P6 O24",
"formula_reduced": "Li4Mn2FeNi3(PO4)6",
"formula_anonymous": "AB2C3D4E6F24",
"energy": -296.50814071,
"energy_per_atom": -7.412703517750001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -266.80514071,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.010000Z",
"spacegroup": 1
},
{
"id": "mp-1026551",
"created_at": "2022-09-04T14:46:56.303334Z",
"structure_string": "Sr1 Mg14 C1\n1.0\n6.488877 0.000000 0.000000\n-3.244439 5.619532 -0.000000\n0.000000 0.000000 10.157290\nSr Mg C\n1 14 1\ndirect\n0.166667 0.333333 0.125000 Sr\n0.182718 0.841358 0.125000 Mg\n0.149055 0.824527 0.625000 Mg\n0.658642 0.317282 0.125000 Mg\n0.675473 0.350945 0.625000 Mg\n0.658642 0.841358 0.125000 Mg\n0.675473 0.824527 0.625000 Mg\n0.326037 0.173963 0.406961 Mg\n0.326037 0.173963 0.843039 Mg\n0.326037 0.652076 0.406961 Mg\n0.326037 0.652076 0.843039 Mg\n0.847924 0.173963 0.406961 Mg\n0.847924 0.173963 0.843039 Mg\n0.833333 0.666667 0.363545 Mg\n0.833333 0.666667 0.886455 Mg\n0.166667 0.333333 0.625000 C\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Sr",
"Mg",
"C"
],
"chemical_system": "C-Mg-Sr",
"density": 1.972223856402339,
"density_atomic": 0.043198875301046276,
"volume": 370.38001310215776,
"volume_molar": 13.940503584948988,
"formula_full": "Sr1 Mg14 C1",
"formula_reduced": "SrMg14C",
"formula_anonymous": "ABC14",
"energy": -28.09553234,
"energy_per_atom": -1.75597077125,
"energy_above_hull": null,
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"energy_uncorrected": -28.09553234,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 1.81e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.012000Z",
"spacegroup": 187
},
{
"id": "mp-669525",
"created_at": "2022-09-04T14:47:09.748314Z",
"structure_string": "Sb12 Pd32\n1.0\n15.182400 -3.901475 0.000000\n15.182400 3.901475 0.000000\n14.179824 0.000000 6.682766\nSb Pd\n12 32\ndirect\n0.068658 0.068658 0.068658 Sb\n0.568658 0.568658 0.568658 Sb\n0.422903 0.422903 0.422903 Sb\n0.922903 0.922903 0.922903 Sb\n0.792304 0.792304 0.792304 Sb\n0.292304 0.292304 0.292304 Sb\n0.411133 0.822846 0.203366 Sb\n0.822846 0.203366 0.411133 Sb\n0.203366 0.411133 0.822846 Sb\n0.322846 0.911133 0.703366 Sb\n0.911133 0.703366 0.322846 Sb\n0.703366 0.322846 0.911133 Sb\n0.326114 0.611259 0.054351 Pd\n0.611259 0.054351 0.326114 Pd\n0.054351 0.326114 0.611259 Pd\n0.111259 0.826114 0.554351 Pd\n0.826114 0.554351 0.111259 Pd\n0.554351 0.111259 0.826114 Pd\n0.008560 0.008560 0.008560 Pd\n0.508560 0.508560 0.508560 Pd\n0.676625 0.676625 0.676625 Pd\n0.176625 0.176625 0.176625 Pd\n0.726179 0.374997 0.015113 Pd\n0.374997 0.015113 0.726179 Pd\n0.015113 0.726179 0.374997 Pd\n0.874997 0.226179 0.515113 Pd\n0.226179 0.515113 0.874997 Pd\n0.515113 0.874997 0.226179 Pd\n0.394909 0.712967 0.086057 Pd\n0.712967 0.086057 0.394909 Pd\n0.086057 0.394909 0.712967 Pd\n0.212967 0.894909 0.586057 Pd\n0.894909 0.586057 0.212967 Pd\n0.586057 0.212967 0.894909 Pd\n0.365740 0.365740 0.365740 Pd\n0.865740 0.865740 0.865740 Pd\n0.736624 0.736624 0.736624 Pd\n0.236624 0.236624 0.236624 Pd\n0.797994 0.412808 0.095196 Pd\n0.412808 0.095196 0.797994 Pd\n0.095196 0.797994 0.412808 Pd\n0.912808 0.297994 0.595196 Pd\n0.297994 0.595196 0.912808 Pd\n0.595196 0.912808 0.297994 Pd\n",
"nsites": 44,
"nelements": 2,
"elements": [
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb",
"density": 10.207412645362792,
"density_atomic": 0.0555772647157119,
"volume": 791.6906351017493,
"volume_molar": 10.83561918853757,
"formula_full": "Sb12 Pd32",
"formula_reduced": "Sb3Pd8",
"formula_anonymous": "A3B8",
"energy": -228.38131138,
"energy_per_atom": -5.1904843495454545,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -228.38131138,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0002456,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.014000Z",
"spacegroup": 161
},
{
"id": "mp-1147623",
"created_at": "2022-09-04T14:46:59.389008Z",
"structure_string": "K2 La2 Mo2 O10\n1.0\n5.868230 0.000000 0.000000\n0.000000 5.868230 0.000000\n0.000000 0.000000 8.158195\nK La Mo O\n2 2 2 10\ndirect\n0.500000 0.500000 0.000000 K\n0.000000 0.000000 0.000000 K\n0.000000 0.000000 0.500000 La\n0.500000 0.500000 0.500000 La\n0.000000 0.500000 0.741421 Mo\n0.500000 0.000000 0.258579 Mo\n0.000000 0.500000 0.960239 O\n0.500000 0.000000 0.039761 O\n0.779930 0.720070 0.672915 O\n0.220070 0.279930 0.672915 O\n0.720070 0.779930 0.327085 O\n0.220070 0.720070 0.672915 O\n0.779930 0.279930 0.672915 O\n0.720070 0.220070 0.327085 O\n0.279930 0.220070 0.327085 O\n0.279930 0.779930 0.327085 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"K",
"La",
"Mo",
"O"
],
"chemical_system": "K-La-Mo-O",
"density": 4.184093184110057,
"density_atomic": 0.05695234966319359,
"volume": 280.936609193848,
"volume_molar": 10.573998782515394,
"formula_full": "K2 La2 Mo2 O10",
"formula_reduced": "KLaMoO5",
"formula_anonymous": "ABCD5",
"energy": -126.76089357,
"energy_per_atom": -7.922555848125,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -113.48689357,
"band_gap": 3.2557000000000005,
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"is_magnetic": false,
"total_magnetization": 1.12e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.015000Z",
"spacegroup": 129
},
{
"id": "mp-1175404",
"created_at": "2022-09-04T14:47:00.801724Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.883246 0.000000 0.000000\n-1.466895 -6.366398 0.000000\n-1.285297 0.199407 -7.667386\nLi Mn Co O\n9 2 5 16\ndirect\n0.123202 0.124359 0.372327 Li\n0.620516 0.632935 0.878543 Li\n0.382521 0.874861 0.633873 Li\n0.857129 0.368130 0.118042 Li\n0.617479 0.125139 0.366127 Li\n0.142871 0.631870 0.881958 Li\n0.876798 0.875641 0.627673 Li\n0.379484 0.367065 0.121457 Li\n0.500000 0.000000 0.000000 Li\n0.000000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.254663 0.753877 0.241270 Co\n0.745337 0.246123 0.758730 Co\n0.000000 0.500000 0.500000 Co\n0.743403 0.752545 0.244437 Co\n0.256597 0.247455 0.755563 Co\n0.818099 0.044791 0.181418 O\n0.326850 0.552246 0.682251 O\n0.052921 0.785467 0.424774 O\n0.565618 0.311527 0.921086 O\n0.286059 0.051483 0.176490 O\n0.800488 0.552618 0.661776 O\n0.553850 0.794799 0.436273 O\n0.057234 0.295659 0.939149 O\n0.446150 0.205201 0.563727 O\n0.942766 0.704341 0.060851 O\n0.713941 0.948517 0.823510 O\n0.199512 0.447382 0.338224 O\n0.947079 0.214533 0.575226 O\n0.434382 0.688473 0.078914 O\n0.181901 0.955209 0.818582 O\n0.673150 0.447754 0.317749 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.180518538467473,
"density_atomic": 0.11142736413521714,
"volume": 287.1825987121798,
"volume_molar": 5.404543853960442,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -204.72778017,
"energy_per_atom": -6.3977431303125,
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"updated_at": "2021-11-28T01:37:51.019000Z",
"spacegroup": 2
},
{
"id": "mp-1367944",
"created_at": "2022-09-04T14:47:04.159788Z",
"structure_string": "Zn4 Co4 P8 O28\n1.0\n0.798767 5.835329 2.538857\n-5.659674 -0.250087 6.172735\n6.004018 -6.421947 5.443498\nZn Co P O\n4 4 8 28\ndirect\n0.846453 0.634004 0.562346 Zn\n0.348445 0.134010 0.063097 Zn\n0.152978 0.365185 0.438099 Zn\n0.651718 0.865158 0.936609 Zn\n0.320496 0.566359 0.233104 Co\n0.179498 0.936222 0.269106 Co\n0.828813 0.063728 0.736165 Co\n0.678478 0.433954 0.767211 Co\n0.675990 0.303502 0.469369 P\n0.176500 0.802544 0.967650 P\n0.323258 0.696761 0.532937 P\n0.824211 0.196092 0.031804 P\n0.286668 0.034765 0.639912 P\n0.786585 0.533039 0.141432 P\n0.713174 0.967025 0.358622 P\n0.213410 0.465756 0.858854 P\n0.228172 0.856165 0.594541 O\n0.728926 0.355546 0.092671 O\n0.769811 0.144247 0.407463 O\n0.273148 0.642617 0.908199 O\n0.439925 0.376229 0.379970 O\n0.939815 0.871517 0.876648 O\n0.559761 0.625345 0.621998 O\n0.060298 0.124620 0.121125 O\n0.735271 0.866183 0.488279 O\n0.236137 0.366097 0.989347 O\n0.263796 0.130629 0.507309 O\n0.763803 0.633058 0.011084 O\n0.883189 0.909551 0.285711 O\n0.383152 0.407431 0.786043 O\n0.114883 0.098684 0.710184 O\n0.616502 0.591016 0.214155 O\n0.158176 0.584600 0.533736 O\n0.658819 0.083886 0.032114 O\n0.841975 0.414993 0.467891 O\n0.339398 0.916038 0.964764 O\n0.329566 0.735094 0.388807 O\n0.831544 0.234460 0.887833 O\n0.669109 0.264730 0.613090 O\n0.169275 0.766812 0.111801 O\n0.472393 0.007733 0.262212 O\n0.972407 0.507913 0.763468 O\n0.526582 0.994522 0.736032 O\n0.027495 0.492182 0.237208 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
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"Co",
"P",
"O"
],
"chemical_system": "Co-O-P-Zn",
"density": 3.790374849442769,
"density_atomic": 0.08417702628345172,
"volume": 522.707939953088,
"volume_molar": 7.154138160834373,
"formula_full": "Zn4 Co4 P8 O28",
"formula_reduced": "ZnCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -317.31472269,
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"updated_at": "2021-11-28T01:37:51.022000Z",
"spacegroup": 2
},
{
"id": "mp-1112359",
"created_at": "2022-09-04T14:47:00.562772Z",
"structure_string": "K2 In1 Bi1 F6\n1.0\n0.000000 4.840413 4.840413\n4.840413 0.000000 4.840413\n4.840413 4.840413 0.000000\nK In Bi F\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Bi\n0.764902 0.235098 0.235098 F\n0.235098 0.235098 0.764902 F\n0.235098 0.764902 0.764902 F\n0.235098 0.764902 0.235098 F\n0.764902 0.235098 0.764902 F\n0.764902 0.764902 0.235098 F\n",
"nsites": 10,
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"elements": [
"K",
"In",
"Bi",
"F"
],
"chemical_system": "Bi-F-In-K",
"density": 3.777541770168745,
"density_atomic": 0.044088238597648495,
"volume": 226.81786159026464,
"volume_molar": 13.65929089378771,
"formula_full": "K2 In1 Bi1 F6",
"formula_reduced": "K2InBiF6",
"formula_anonymous": "ABC2D6",
"energy": -46.49450377,
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"updated_at": "2021-11-28T01:37:51.026000Z",
"spacegroup": 225
},
{
"id": "mp-1034231",
"created_at": "2022-09-04T14:46:56.958065Z",
"structure_string": "Rb1 Mg14 B1 O16\n1.0\n8.966129 0.000000 0.000000\n0.000000 8.198603 0.000000\n0.000000 0.000000 4.546435\nRb Mg B O\n1 14 1 16\ndirect\n0.000000 0.000000 -0.000000 Rb\n0.500000 0.000000 -0.000000 Mg\n0.500000 0.500000 -0.000000 Mg\n0.000000 0.259024 0.500000 Mg\n0.000000 0.740976 0.500000 Mg\n0.500000 0.251191 0.500000 Mg\n0.500000 0.748809 0.500000 Mg\n0.255656 0.000000 0.500000 Mg\n0.246370 0.500000 0.500000 Mg\n0.744344 0.000000 0.500000 Mg\n0.753630 0.500000 0.500000 Mg\n0.268022 0.254629 -0.000000 Mg\n0.268022 0.745371 -0.000000 Mg\n0.731978 0.254629 0.000000 Mg\n0.731978 0.745371 0.000000 Mg\n0.000000 0.500000 -0.000000 B\n0.278468 0.000000 -0.000000 O\n0.269377 0.500000 -0.000000 O\n0.721532 0.000000 -0.000000 O\n0.730623 0.500000 -0.000000 O\n0.245373 0.249628 0.500000 O\n0.245373 0.750372 0.500000 O\n0.754627 0.249628 0.500000 O\n0.754627 0.750372 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.335155 -0.000000 O\n0.000000 0.664845 -0.000000 O\n0.500000 0.251822 -0.000000 O\n0.500000 0.748178 0.000000 O\n",
"nsites": 32,
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"elements": [
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"Mg",
"B",
"O"
],
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"density": 3.4409442153766396,
"density_atomic": 0.09574897903583525,
"volume": 334.20721894093094,
"volume_molar": 6.289509110845076,
"formula_full": "Rb1 Mg14 B1 O16",
"formula_reduced": "RbMg14BO16",
"formula_anonymous": "ABC14D16",
"energy": -196.62741833,
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"updated_at": "2021-11-28T01:37:51.026000Z",
"spacegroup": 47
},
{
"id": "mp-1191835",
"created_at": "2022-09-04T14:47:02.123187Z",
"structure_string": "Cu1 H10 Se2 N2 O10\n1.0\n-5.571603 0.000000 0.000000\n-0.226773 -7.590203 0.000000\n2.760988 2.311194 6.788526\nCu H Se N O\n1 10 2 2 10\ndirect\n0.500000 0.500000 0.000000 Cu\n0.273591 0.269776 0.475275 H\n0.726409 0.730224 0.524725 H\n0.121381 0.104104 0.255772 H\n0.878619 0.895896 0.744228 H\n0.956202 0.207788 0.398256 H\n0.043798 0.792212 0.601744 H\n0.062995 0.333600 0.287007 H\n0.937005 0.666400 0.712993 H\n0.282335 0.236297 0.986256 H\n0.717665 0.763703 0.013744 H\n0.172266 0.713915 0.264567 Se\n0.827734 0.286085 0.735433 Se\n0.105265 0.229800 0.353242 N\n0.894735 0.770200 0.646758 N\n0.039648 0.842052 0.119720 O\n0.960352 0.157948 0.880280 O\n0.272148 0.837233 0.501812 O\n0.727852 0.162767 0.498188 O\n0.968072 0.531218 0.207929 O\n0.031928 0.468782 0.792071 O\n0.461751 0.636129 0.243697 O\n0.538249 0.363871 0.756303 O\n0.470894 0.285998 0.048158 O\n0.529106 0.714002 0.951842 O\n",
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"elements": [
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"H",
"Se",
"N",
"O"
],
"chemical_system": "Cu-H-N-O-Se",
"density": 2.426759177904931,
"density_atomic": 0.08708251598497116,
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"formula_full": "Cu1 H10 Se2 N2 O10",
"formula_reduced": "CuH10Se2(NO5)2",
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"spacegroup": 2
},
{
"id": "mp-1233870",
"created_at": "2022-09-04T14:46:57.388246Z",
"structure_string": "Mg1 Fe4 P4 O16\n1.0\n8.543264 -0.104010 0.264055\n-0.146445 9.145154 0.156983\n-1.782363 0.116932 4.919718\nMg Fe P O\n1 4 4 16\ndirect\n0.606763 0.658493 0.854039 Mg\n0.209185 0.476673 0.469165 Fe\n0.294881 0.991515 0.048524 Fe\n0.699198 0.034248 0.850530 Fe\n0.838746 0.512432 0.610114 Fe\n0.226232 0.653061 0.907005 P\n0.301360 0.150850 0.612566 P\n0.652849 0.841434 0.363795 P\n0.824695 0.358174 0.138632 P\n0.082241 0.564612 0.702055 O\n0.168041 0.124824 0.753164 O\n0.179268 0.813671 0.889622 O\n0.249491 0.092520 0.328023 O\n0.368509 0.621606 0.787998 O\n0.264658 0.587546 0.193756 O\n0.350104 0.315806 0.602640 O\n0.449885 0.063245 0.814090 O\n0.469953 0.880948 0.298013 O\n0.672342 0.687099 0.514445 O\n0.762392 0.495943 0.942712 O\n0.739238 0.360390 0.356697 O\n0.762504 0.953182 0.549752 O\n0.794116 0.221073 0.978606 O\n0.694375 0.828723 0.093316 O\n0.013975 0.383361 0.265742 O\n",
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"elements": [
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"O"
],
"chemical_system": "Fe-Mg-O-P",
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"density_atomic": 0.06435472758043784,
"volume": 388.4718487659227,
"volume_molar": 9.357728618263275,
"formula_full": "Mg1 Fe4 P4 O16",
"formula_reduced": "MgFe4(PO4)4",
"formula_anonymous": "AB4C4D16",
"energy": -195.72714256,
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"updated_at": "2021-11-28T01:37:51.033000Z",
"spacegroup": 1
},
{
"id": "mp-1245018",
"created_at": "2022-09-04T14:46:57.713293Z",
"structure_string": "Ga32 O48\n1.0\n10.248523 0.072795 0.349489\n0.076661 10.237193 0.041017\n0.346341 0.039857 10.057005\nGa O\n32 48\ndirect\n0.249321 0.803865 0.036090 Ga\n0.621872 0.365259 0.772721 Ga\n0.362151 0.852612 0.326539 Ga\n0.156969 0.043173 0.211909 Ga\n0.516454 0.626364 0.784735 Ga\n0.026456 0.398281 0.668431 Ga\n0.801911 0.675911 0.903337 Ga\n0.971427 0.769979 0.129338 Ga\n0.904972 0.887969 0.661274 Ga\n0.611800 0.944213 0.220821 Ga\n0.776404 0.160437 0.577185 Ga\n0.379892 0.168001 0.330374 Ga\n0.850668 0.501928 0.233823 Ga\n0.812706 0.594691 0.592491 Ga\n0.656032 0.326928 0.350847 Ga\n0.154855 0.925874 0.527231 Ga\n0.392972 0.873983 0.758020 Ga\n0.548627 0.350008 0.085754 Ga\n0.312293 0.343557 0.878554 Ga\n0.077508 0.531843 0.929260 Ga\n0.441467 0.063065 0.993122 Ga\n0.356086 0.127470 0.662012 Ga\n0.076660 0.646260 0.410834 Ga\n0.635656 0.854942 0.534772 Ga\n0.147501 0.364146 0.185978 Ga\n0.539018 0.658365 0.093159 Ga\n0.850793 0.314127 0.020965 Ga\n0.989146 0.141512 0.775675 Ga\n0.783484 0.993275 0.981138 Ga\n0.628531 0.625224 0.371918 Ga\n0.347399 0.564585 0.298445 Ga\n0.860197 0.089497 0.264987 Ga\n0.358381 0.742570 0.878485 O\n0.132694 0.501514 0.754212 O\n0.724543 0.384139 0.168488 O\n0.684446 0.529117 0.712202 O\n0.526416 0.774529 0.667724 O\n0.449215 0.024299 0.225642 O\n0.477155 0.542630 0.411055 O\n0.605113 0.969451 0.027621 O\n0.853134 0.725697 0.728820 O\n0.024413 0.803997 0.513586 O\n0.752060 0.180986 0.394410 O\n0.241901 0.212322 0.219612 O\n0.763914 0.972615 0.573991 O\n0.780514 0.929791 0.254837 O\n0.855277 0.821129 0.002941 O\n0.746720 0.473715 0.405842 O\n0.254618 0.711849 0.398675 O\n0.051097 0.999452 0.670493 O\n0.408333 0.192868 0.501937 O\n0.238180 0.234081 0.758501 O\n0.183903 0.490230 0.310945 O\n0.245204 0.988878 0.372647 O\n0.951706 0.648302 0.269674 O\n0.018238 0.101235 0.321957 O\n0.106221 0.872545 0.172874 O\n0.618689 0.676387 0.925904 O\n0.842888 0.029779 0.809391 O\n0.968686 0.368037 0.170621 O\n0.384370 0.751287 0.163592 O\n0.430100 0.246330 0.988386 O\n0.276426 0.989318 0.031938 O\n0.938632 0.245716 0.624355 O\n0.447949 0.504757 0.123218 O\n0.107358 0.692205 0.006897 O\n0.976469 0.523647 0.535454 O\n0.537295 0.843258 0.381431 O\n0.453328 0.038978 0.799445 O\n0.304700 0.946620 0.622001 O\n0.680494 0.326013 0.938101 O\n0.452817 0.453201 0.804670 O\n0.981297 0.288161 0.879560 O\n0.892661 0.534792 0.972291 O\n0.633272 0.248537 0.641243 O\n0.737977 0.713376 0.480935 O\n0.514809 0.278502 0.261035 O\n0.198953 0.420646 0.009649 O\n0.680850 0.664092 0.196319 O\n0.842000 0.132049 0.081935 O\n",
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"elements": [
"Ga",
"O"
],
"chemical_system": "Ga-O",
"density": 4.725739099939927,
"density_atomic": 0.07591343467738346,
"volume": 1053.831911834626,
"volume_molar": 7.932905138060034,
"formula_full": "Ga32 O48",
"formula_reduced": "Ga2O3",
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"energy": -501.95040874,
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"spacegroup": 1
},
{
"id": "mp-26561",
"created_at": "2022-09-04T14:46:57.915434Z",
"structure_string": "Li9 Mo9 P12 O48\n1.0\n8.392856 0.000000 0.000000\n-0.004250 9.152917 0.000000\n-0.067377 -0.949435 12.999596\nLi Mo P O\n9 9 12 48\ndirect\n0.138541 0.224347 0.836100 Li\n0.859782 0.107586 0.497024 Li\n0.362849 0.745772 0.836219 Li\n0.372611 0.404736 0.509394 Li\n0.358000 0.055813 0.168207 Li\n0.627996 0.924098 0.822319 Li\n0.633375 0.592277 0.502066 Li\n0.131200 0.576354 0.166669 Li\n0.873673 0.764063 0.162690 Li\n0.488384 0.330538 0.834523 Mo\n0.509966 0.004537 0.498448 Mo\n0.863526 0.440892 0.836757 Mo\n0.002299 0.837986 0.831477 Mo\n0.000460 0.495388 0.504025 Mo\n0.010682 0.161442 0.168000 Mo\n0.636495 0.274715 0.166617 Mo\n0.136547 0.892619 0.497858 Mo\n0.496314 0.672893 0.164839 Mo\n0.192148 0.852676 0.054453 P\n0.701114 0.974124 0.273767 P\n0.297428 0.357237 0.056567 P\n0.315544 0.677885 0.386862 P\n0.814622 0.487278 0.281247 P\n0.799838 0.809513 0.609874 P\n0.201578 0.194251 0.393098 P\n0.199900 0.523958 0.723726 P\n0.697039 0.311918 0.611376 P\n0.795894 0.136684 0.940644 P\n0.684705 0.655702 0.946283 P\n0.303343 0.021931 0.722611 P\n0.083233 0.099000 0.452447 O\n0.364637 0.839551 0.100985 O\n0.074707 0.750960 0.100222 O\n0.697693 0.684618 0.063363 O\n0.647084 0.812756 0.257263 O\n0.353294 0.517378 0.077695 O\n0.352006 0.847981 0.414001 O\n0.300784 0.995008 0.599074 O\n0.927977 0.587552 0.233237 O\n0.130144 0.007091 0.763110 O\n0.624681 0.157462 0.901747 O\n0.916227 0.235509 0.887280 O\n0.297026 0.315668 0.938997 O\n0.346135 0.186663 0.743666 O\n0.648547 0.484737 0.921136 O\n0.654250 0.147496 0.588975 O\n0.700304 0.336505 0.735245 O\n0.085793 0.417798 0.776696 O\n0.696516 0.024278 0.390189 O\n0.872448 0.988353 0.231472 O\n0.368480 0.508345 0.770612 O\n0.861366 0.659668 0.895011 O\n0.373186 0.179159 0.435811 O\n0.869977 0.327278 0.570792 O\n0.571766 0.752358 0.894612 O\n0.197033 0.824711 0.935053 O\n0.578850 0.416479 0.570606 O\n0.197767 0.482277 0.606391 O\n0.584039 0.068814 0.212298 O\n0.197201 0.144897 0.276471 O\n0.146373 0.684881 0.744757 O\n0.148469 0.355596 0.410535 O\n0.151355 0.019057 0.078902 O\n0.847792 0.976501 0.922776 O\n0.853218 0.648316 0.588872 O\n0.851076 0.317770 0.251912 O\n0.803597 0.851539 0.726905 O\n0.421360 0.918118 0.764208 O\n0.801460 0.511037 0.398418 O\n0.429272 0.578486 0.435900 O\n0.804151 0.179045 0.061624 O\n0.410837 0.250533 0.109726 O\n0.139741 0.672816 0.438826 O\n0.631256 0.824817 0.562582 O\n0.128630 0.342160 0.102477 O\n0.638385 0.492913 0.228449 O\n0.912750 0.914873 0.555284 O\n0.301275 0.651980 0.269649 O\n",
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],
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"formula_full": "Li9 Mo9 P12 O48",
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}
]
}