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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11467",
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"results": [
{
"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",
"nsites": 25,
"nelements": 4,
"elements": [
"Mg",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Mg-O-P",
"density": 2.682575968524283,
"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,
"energy_per_atom": -7.8290857024000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -175.71114256,
"band_gap": 1.8366,
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"is_magnetic": true,
"total_magnetization": 18.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.033000Z",
"spacegroup": 1
},
{
"id": "mp-34493",
"created_at": "2022-09-04T14:46:57.292720Z",
"structure_string": "Mg6 Fe12 O24\n1.0\n-5.987834 0.000000 0.000000\n2.976552 5.210392 0.000000\n-0.017766 -0.105522 -14.641428\nMg Fe O\n6 12 24\ndirect\n0.837866 0.663041 0.959183 Mg\n0.164347 0.330238 0.667699 Mg\n0.666809 0.833238 0.166230 Mg\n0.334850 0.165190 0.834244 Mg\n0.835714 0.669923 0.333201 Mg\n0.000188 0.499655 0.499957 Mg\n0.502363 0.992631 0.621234 Fe\n0.830060 0.164773 0.834350 Fe\n0.499504 0.999497 0.997407 Fe\n0.335517 0.670055 0.833983 Fe\n0.172256 0.330702 0.290244 Fe\n0.501092 0.500525 0.500544 Fe\n0.999687 0.999584 0.500183 Fe\n0.164324 0.832892 0.166015 Fe\n0.827831 0.668629 0.711104 Fe\n0.667735 0.337666 0.165220 Fe\n0.497679 0.007279 0.377007 Fe\n0.162528 0.337623 0.040495 Fe\n0.655645 0.296909 0.917185 O\n0.502041 0.997549 0.753532 O\n0.202912 0.845227 0.916341 O\n0.652811 0.848403 0.915629 O\n0.003077 0.493386 0.756424 O\n0.325843 0.644939 0.580916 O\n0.482795 0.497295 0.755663 O\n0.176605 0.342797 0.421673 O\n0.165967 0.336628 0.910323 O\n0.850836 0.162341 0.577811 O\n0.999750 0.014808 0.755295 O\n0.319823 0.168041 0.577976 O\n0.679637 0.832280 0.421763 O\n0.001312 0.987877 0.245640 O\n0.149957 0.837987 0.422019 O\n0.837087 0.660820 0.094864 O\n0.821701 0.657797 0.579619 O\n0.518082 0.505679 0.245633 O\n0.998991 0.509076 0.244881 O\n0.673272 0.353825 0.418927 O\n0.340523 0.153641 0.082556 O\n0.806117 0.156119 0.081988 O\n0.495410 0.003016 0.243490 O\n0.339455 0.690417 0.081549 O\n",
"nsites": 42,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.362050486951156,
"density_atomic": 0.09194448909913196,
"volume": 456.7973612286516,
"volume_molar": 6.549757162179778,
"formula_full": "Mg6 Fe12 O24",
"formula_reduced": "Mg(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -316.35274149,
"energy_per_atom": -7.532208130714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.79274149,
"band_gap": 1.5154000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 60.0009199,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.768000Z",
"spacegroup": 1
},
{
"id": "mp-625171",
"created_at": "2022-09-04T14:46:57.277361Z",
"structure_string": "H14 Cl2 O6\n1.0\n6.136615 0.000000 0.000000\n-2.260843 6.246483 0.000000\n-2.395523 -2.733157 5.654636\nH Cl O\n14 2 6\ndirect\n0.395603 0.034190 0.230158 H\n0.574954 0.272218 0.465314 H\n0.914899 0.204683 0.082153 H\n0.177315 0.452716 0.088549 H\n0.063165 0.458491 0.313928 H\n0.746576 0.669625 0.788252 H\n0.451273 0.534573 0.567274 H\n0.227181 0.781713 0.656215 H\n0.939528 0.566810 0.544770 H\n0.736972 0.838401 0.573014 H\n0.000801 0.021207 0.576789 H\n0.708554 0.059274 0.461679 H\n0.405625 0.447733 0.979713 H\n0.231330 0.562544 0.869899 H\n0.424567 0.135299 0.794658 Cl\n0.978662 0.831997 0.116921 Cl\n0.585582 0.152491 0.350730 O\n0.078158 0.358061 0.184485 O\n0.637881 0.597748 0.606375 O\n0.123132 0.601884 0.590658 O\n0.833003 0.000396 0.578983 O\n0.322191 0.547827 0.016351 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"H",
"Cl",
"O"
],
"chemical_system": "Cl-H-O",
"density": 1.3867274543393509,
"density_atomic": 0.1014970891853781,
"volume": 216.75498456727536,
"volume_molar": 5.933313761344364,
"formula_full": "H14 Cl2 O6",
"formula_reduced": "H7ClO3",
"formula_anonymous": "AB3C7",
"energy": -106.62111367999998,
"energy_per_atom": -4.8464142581818175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -101.27111368,
"band_gap": 4.2299,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007595,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.901000Z",
"spacegroup": 1
},
{
"id": "mp-1234737",
"created_at": "2022-09-04T14:46:57.368908Z",
"structure_string": "Ba2 Mg1 Mo4 P8 O28\n1.0\n7.778332 0.016601 1.401496\n-0.092850 7.830074 1.475113\n0.070444 0.166355 10.393276\nBa Mg Mo P O\n2 1 4 8 28\ndirect\n0.005176 0.508060 0.052283 Ba\n0.488063 0.986461 0.541140 Ba\n0.826609 0.389074 0.755767 Mg\n0.992868 0.991275 0.487667 Mo\n0.023526 0.013029 0.002419 Mo\n0.466102 0.546932 0.248337 Mo\n0.466594 0.451370 0.769218 Mo\n0.819196 0.717621 0.315304 P\n0.272733 0.193814 0.194727 P\n0.164374 0.262083 0.663098 P\n0.775373 0.802290 0.806595 P\n0.725220 0.358004 0.461862 P\n0.638928 0.262625 0.057973 P\n0.246495 0.637165 0.532480 P\n0.387464 0.760990 0.946303 P\n0.959636 0.748600 0.192629 O\n0.212955 0.056442 0.319218 O\n0.017907 0.238611 0.785228 O\n0.803791 0.924308 0.668821 O\n0.634811 0.727081 0.289969 O\n0.270495 0.378209 0.219447 O\n0.344767 0.233461 0.692163 O\n0.817804 0.614079 0.801019 O\n0.832868 0.822593 0.421535 O\n0.175904 0.192296 0.080196 O\n0.141923 0.159478 0.558678 O\n0.857146 0.853291 0.913926 O\n0.851227 0.511271 0.377144 O\n0.476419 0.149293 0.146651 O\n0.415889 0.741950 0.088650 O\n0.277532 0.644966 0.384001 O\n0.621407 0.292820 0.908269 O\n0.703534 0.370442 0.610679 O\n0.333064 0.588165 0.916666 O\n0.408491 0.629656 0.596245 O\n0.643899 0.434129 0.105236 O\n0.129933 0.466820 0.604413 O\n0.258960 0.897508 0.907427 O\n0.145456 0.791571 0.570597 O\n0.802775 0.167421 0.079516 O\n0.812264 0.191048 0.435491 O\n0.564702 0.819994 0.840018 O\n0.552391 0.365374 0.413495 O\n",
"nsites": 43,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"Mo",
"P",
"O"
],
"chemical_system": "Ba-Mg-Mo-O-P",
"density": 3.6315762998619374,
"density_atomic": 0.06821976012249485,
"volume": 630.3159073381312,
"volume_molar": 8.827560737807774,
"formula_full": "Ba2 Mg1 Mo4 P8 O28",
"formula_reduced": "Ba2MgMo4(P2O7)4",
"formula_anonymous": "AB2C4D8E28",
"energy": -343.0239552,
"energy_per_atom": -7.97730128372093,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -310.9799552,
"band_gap": 2.1636999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9999998,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:50.426000Z",
"spacegroup": 1
},
{
"id": "mp-761262",
"created_at": "2022-09-04T14:46:57.459031Z",
"structure_string": "Li4 Cu4 F12\n1.0\n4.999326 0.000000 0.000000\n0.002244 5.264514 0.000000\n0.039889 0.005053 8.600494\nLi Cu F\n4 4 12\ndirect\n0.498524 0.998011 0.312151 Li\n0.999919 0.002836 0.330815 Li\n0.491607 0.516276 0.832167 Li\n0.996241 0.497306 0.801740 Li\n0.001306 0.998855 0.651462 Cu\n0.001699 0.999541 0.004752 Cu\n0.500982 0.498555 0.504039 Cu\n0.501491 0.498086 0.151310 Cu\n0.222425 0.860327 0.167030 F\n0.221883 0.855190 0.490449 F\n0.182251 0.820578 0.827162 F\n0.681894 0.674129 0.328183 F\n0.719652 0.648961 0.991452 F\n0.722308 0.640733 0.665617 F\n0.278236 0.358568 0.666251 F\n0.282495 0.351507 0.991768 F\n0.318543 0.324271 0.328452 F\n0.822205 0.172108 0.827778 F\n0.779590 0.144688 0.492197 F\n0.776695 0.139677 0.167368 F\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Li",
"Cu",
"F"
],
"chemical_system": "Cu-F-Li",
"density": 3.7408089751439784,
"density_atomic": 0.08835616468783525,
"volume": 226.35658836777884,
"volume_molar": 6.815756185520716,
"formula_full": "Li4 Cu4 F12",
"formula_reduced": "LiCuF3",
"formula_anonymous": "ABC3",
"energy": -93.46335974,
"energy_per_atom": -4.673167987,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -87.91935974,
"band_gap": 0.4097,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 4.0005075,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.486000Z",
"spacegroup": 1
},
{
"id": "mp-1174630",
"created_at": "2022-09-04T14:46:57.477506Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n4.976648 0.000000 0.000000\n0.884677 6.555779 0.000000\n1.595339 0.403575 7.608728\nLi Mn Co O\n8 2 4 14\ndirect\n0.792712 0.434636 0.922433 Li\n0.928948 0.143002 0.637542 Li\n0.647411 0.714581 0.221282 Li\n0.493467 0.993843 0.499871 Li\n0.346986 0.294291 0.779750 Li\n0.219099 0.566580 0.067903 Li\n0.076553 0.851519 0.370700 Li\n0.145469 0.712767 0.711901 Li\n0.000312 0.998942 0.999251 Mn\n0.572616 0.855631 0.854022 Mn\n0.282759 0.432456 0.431998 Co\n0.430114 0.139499 0.140416 Co\n0.710908 0.577978 0.578075 Co\n0.854350 0.286308 0.287487 Co\n0.678406 0.123334 0.908214 O\n0.796253 0.860313 0.626495 O\n0.540868 0.398360 0.180513 O\n0.411034 0.700559 0.465854 O\n0.249677 0.996248 0.774286 O\n0.113800 0.262088 0.041057 O\n0.976994 0.559577 0.324868 O\n0.879831 0.742735 0.965430 O\n0.021057 0.432261 0.667338 O\n0.751371 0.009202 0.230044 O\n0.597314 0.293613 0.525173 O\n0.477228 0.595077 0.826676 O\n0.321079 0.877051 0.092514 O\n0.183385 0.147549 0.368906 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1816250419117,
"density_atomic": 0.1127936741172255,
"volume": 248.2408718320483,
"volume_molar": 5.339076687706121,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.70208497,
"energy_per_atom": -6.525074463214286,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -163.19608497,
"band_gap": 0.6817000000000002,
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"is_magnetic": true,
"total_magnetization": 22.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.994000Z",
"spacegroup": 1
},
{
"id": "mp-698712",
"created_at": "2022-09-04T14:46:57.479736Z",
"structure_string": "Sr5 La3 Mn8 O20 F4\n1.0\n5.628558 0.000000 0.000000\n0.018228 5.689500 0.000000\n0.018118 0.030595 15.559215\nSr La Mn O F\n5 3 8 20 4\ndirect\n0.009458 0.497822 0.876896 Sr\n0.005579 0.498924 0.376544 Sr\n0.498827 0.999814 0.620842 Sr\n0.486678 0.998437 0.125511 Sr\n0.500265 0.993272 0.878445 Sr\n0.528251 0.000320 0.381879 La\n0.975369 0.500672 0.616707 La\n0.000050 0.502853 0.123057 La\n0.010668 0.985174 0.998452 Mn\n0.501189 0.499988 0.750822 Mn\n0.509653 0.487922 0.248869 Mn\n0.487344 0.510510 0.998459 Mn\n0.497985 0.501541 0.499722 Mn\n0.003041 0.998044 0.750829 Mn\n0.003669 0.001746 0.500104 Mn\n0.988000 0.013353 0.249159 Mn\n0.990402 0.926566 0.625877 O\n0.010846 0.925361 0.126183 O\n0.233235 0.267283 0.518900 O\n0.234456 0.264844 0.232166 O\n0.226662 0.266758 0.017473 O\n0.257514 0.755718 0.987424 O\n0.250795 0.749694 0.762580 O\n0.268566 0.767947 0.482907 O\n0.493571 0.434374 0.874699 O\n0.496594 0.426631 0.374254 O\n0.497351 0.555997 0.125721 O\n0.525283 0.560570 0.625667 O\n0.763515 0.260759 0.732072 O\n0.742090 0.244213 0.512321 O\n0.748495 0.251234 0.229652 O\n0.761827 0.732346 0.988326 O\n0.758870 0.745569 0.484266 O\n0.747406 0.754390 0.266995 O\n0.000607 0.057260 0.875250 O\n0.990728 0.057662 0.374274 O\n0.247404 0.255083 0.723135 F\n0.259794 0.761073 0.270208 F\n0.738061 0.237287 0.019993 F\n0.749903 0.750989 0.773361 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Sr",
"La",
"Mn",
"O",
"F"
],
"chemical_system": "F-La-Mn-O-Sr",
"density": 5.6331922317764604,
"density_atomic": 0.08027883508848771,
"volume": 498.26333374057833,
"volume_molar": 7.50152982833155,
"formula_full": "Sr5 La3 Mn8 O20 F4",
"formula_reduced": "Sr5La3Mn8(O5F)4",
"formula_anonymous": "A3B4C5D8E20",
"energy": -317.05917855,
"energy_per_atom": -7.926479463750001,
"energy_above_hull": null,
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"energy_uncorrected": -288.12717855,
"band_gap": 0.0,
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"updated_at": "2021-11-28T01:37:47.953000Z",
"spacegroup": 1
},
{
"id": "mp-1173236",
"created_at": "2022-09-04T14:46:58.618778Z",
"structure_string": "Sr6 La4 Mn12 O24 F12\n1.0\n5.824244 -0.140783 0.000160\n-0.139444 5.814585 0.004733\n-0.060380 0.023625 22.828763\nSr La Mn O F\n6 4 12 24 12\ndirect\n0.031727 0.511185 0.084886 Sr\n0.020064 0.514467 0.416960 Sr\n0.018277 0.513167 0.743976 Sr\n0.508554 0.006260 0.091168 Sr\n0.502489 0.007383 0.424874 Sr\n0.476876 0.995160 0.738695 Sr\n0.454896 0.005389 0.920898 La\n0.966814 0.481246 0.248253 La\n0.972343 0.480879 0.583206 La\n0.969613 0.507045 0.919609 La\n0.003498 0.992027 0.001877 Mn\n0.032392 0.994464 0.170627 Mn\n0.993360 0.983516 0.332500 Mn\n0.034202 0.995434 0.501922 Mn\n0.003719 0.998516 0.662304 Mn\n0.466970 0.506102 0.170509 Mn\n0.467253 0.508309 0.501589 Mn\n0.475570 0.493564 0.831568 Mn\n0.487067 0.511551 0.001064 Mn\n0.514887 0.519149 0.331976 Mn\n0.502036 0.498053 0.662394 Mn\n0.024984 0.001222 0.831296 Mn\n0.983020 0.074830 0.252059 O\n0.972884 0.070000 0.581364 O\n0.995627 0.081648 0.915373 O\n0.218069 0.726007 0.982871 O\n0.206423 0.709186 0.179153 O\n0.193782 0.709843 0.512634 O\n0.205929 0.723764 0.851828 O\n0.282740 0.223300 0.005741 O\n0.248824 0.249868 0.157576 O\n0.258200 0.252978 0.489809 O\n0.221699 0.279860 0.670777 O\n0.314119 0.204511 0.826698 O\n0.477293 0.571694 0.085438 O\n0.476167 0.576025 0.415551 O\n0.477599 0.564586 0.749560 O\n0.548480 0.442742 0.581063 O\n0.540897 0.441424 0.250990 O\n0.543594 0.421821 0.915388 O\n0.802430 0.698546 0.326510 O\n0.799040 0.702698 0.660480 O\n0.721892 0.772126 0.985377 O\n0.030197 0.943583 0.416295 O\n0.993299 0.943416 0.085367 O\n0.023422 0.940748 0.749670 O\n0.243653 0.728445 0.315819 F\n0.267337 0.761296 0.652949 F\n0.236328 0.265383 0.342349 F\n0.740923 0.754783 0.175733 F\n0.722733 0.765638 0.504530 F\n0.708979 0.775889 0.845907 F\n0.776168 0.277394 0.014069 F\n0.765249 0.284501 0.153768 F\n0.747101 0.237696 0.352725 F\n0.776939 0.277875 0.485176 F\n0.745838 0.239710 0.684101 F\n0.807531 0.282297 0.819817 F\n",
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{
"id": "mp-1244876",
"created_at": "2022-09-04T14:46:57.532925Z",
"structure_string": "Cr16 Fe16 O48\n1.0\n10.095511 0.684316 0.167672\n0.709060 10.449294 -0.320494\n0.160233 -0.291000 10.904948\nCr Fe O\n16 16 48\ndirect\n0.070232 0.363179 0.843191 Cr\n0.393348 0.442806 0.954373 Cr\n0.618496 0.208835 0.253021 Cr\n0.226567 0.971173 0.398999 Cr\n0.778291 0.068458 0.799307 Cr\n0.569875 0.725462 0.369257 Cr\n0.253361 0.871084 0.728294 Cr\n0.555577 0.252875 0.805471 Cr\n0.296092 0.664091 0.217281 Cr\n0.487330 0.585461 0.746364 Cr\n0.336618 0.100540 0.907707 Cr\n0.082390 0.558604 0.601106 Cr\n0.994042 0.899754 0.643501 Cr\n0.036449 0.117719 0.931259 Cr\n0.014573 0.806780 0.203764 Cr\n0.315516 0.716554 0.491214 Cr\n0.194835 0.169030 0.174396 Fe\n0.865291 0.581176 0.207525 Fe\n0.024903 0.254803 0.365606 Fe\n0.497335 0.978197 0.302206 Fe\n0.759749 0.403661 0.390763 Fe\n0.556041 0.891393 0.862325 Fe\n0.279940 0.859360 0.025192 Fe\n0.601196 0.492618 0.164238 Fe\n0.878912 0.760862 0.450549 Fe\n0.862165 0.327841 0.083701 Fe\n0.158432 0.632514 0.925219 Fe\n0.554837 0.254611 0.524148 Fe\n0.320083 0.418951 0.371424 Fe\n0.722534 0.894997 0.129330 Fe\n0.743616 0.665259 0.958984 Fe\n0.801338 0.034001 0.397286 Fe\n0.981347 0.671313 0.312384 O\n0.185648 0.861329 0.570345 O\n0.781431 0.510816 0.056945 O\n0.658177 0.418802 0.563808 O\n0.605078 0.092968 0.404972 O\n0.557963 0.429259 0.861339 O\n0.681493 0.302697 0.126236 O\n0.228747 0.555714 0.499202 O\n0.869752 0.062307 0.937188 O\n0.507160 0.332089 0.356056 O\n0.115552 0.466106 0.965148 O\n0.711755 0.855828 0.955686 O\n0.836290 0.213589 0.397428 O\n0.581096 0.695287 0.836187 O\n0.452941 0.258199 0.681395 O\n0.190287 0.312612 0.303620 O\n0.560992 0.528822 0.590056 O\n0.936518 0.928714 0.477147 O\n0.012406 0.199163 0.098587 O\n0.207916 0.787179 0.858988 O\n0.873163 0.734236 0.104419 O\n0.404898 0.269303 0.948897 O\n0.411254 0.867819 0.427681 O\n0.964530 0.708880 0.599282 O\n0.928515 0.290100 0.898628 O\n0.863246 0.950077 0.238740 O\n0.595398 0.078133 0.846582 O\n0.075961 0.991760 0.767245 O\n0.167364 0.729101 0.089691 O\n0.315470 0.041836 0.269017 O\n0.910290 0.402862 0.255398 O\n0.171340 0.206355 0.844981 O\n0.724804 0.214854 0.723722 O\n0.329507 0.538244 0.827651 O\n0.596133 0.052491 0.168655 O\n0.183360 0.822280 0.308919 O\n0.195770 0.045618 0.009160 O\n0.809408 0.930664 0.701819 O\n0.384405 0.721439 0.657543 O\n0.704481 0.823962 0.434115 O\n0.378853 0.968562 0.771509 O\n0.578188 0.812458 0.216961 O\n0.420166 0.615062 0.354197 O\n0.044067 0.431037 0.696294 O\n0.415895 0.529293 0.099976 O\n0.120827 0.106261 0.454151 O\n0.434636 0.949995 0.994243 O\n0.699138 0.574394 0.309942 O\n",
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{
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"structure_string": "Li4 Fe8 B8 O24\n1.0\n5.254193 0.000000 0.000000\n-0.007352 9.139293 0.000000\n-0.004835 -0.197161 10.102795\nLi Fe B O\n4 8 8 24\ndirect\n0.846944 0.172045 0.355018 Li\n0.664248 0.319385 0.089458 Li\n0.344927 0.681047 0.337997 Li\n0.311351 0.673716 0.834074 Li\n0.852124 0.839916 0.375522 Fe\n0.818395 0.488321 0.859935 Fe\n0.672249 0.986234 0.119177 Fe\n0.677075 0.662772 0.619926 Fe\n0.349228 0.341486 0.375976 Fe\n0.313536 0.005534 0.871291 Fe\n0.165888 0.164900 0.629025 Fe\n0.165435 0.499982 0.119727 Fe\n0.837228 0.502450 0.367884 B\n0.828187 0.827797 0.873528 B\n0.663458 0.999513 0.619468 B\n0.671467 0.658806 0.127924 B\n0.339441 0.003173 0.367525 B\n0.329365 0.338332 0.876874 B\n0.171948 0.493304 0.622767 B\n0.171019 0.167261 0.123847 B\n0.915139 0.505859 0.653045 O\n0.911149 0.153174 0.138274 O\n0.791296 0.789160 0.161632 O\n0.752313 0.862156 0.578660 O\n0.820085 0.117400 0.610249 O\n0.809385 0.535932 0.086130 O\n0.720068 0.370102 0.356375 O\n0.685823 0.943119 0.927421 O\n0.704159 0.626834 0.414969 O\n0.688717 0.705105 0.824522 O\n0.583803 0.329837 0.897371 O\n0.594125 0.013120 0.321838 O\n0.412604 0.012611 0.661841 O\n0.413577 0.647016 0.141660 O\n0.290088 0.302299 0.153791 O\n0.266750 0.360622 0.577771 O\n0.328630 0.611662 0.640754 O\n0.324388 0.054128 0.081461 O\n0.198547 0.469102 0.916162 O\n0.221757 0.871220 0.370006 O\n0.213665 0.131081 0.409645 O\n0.188982 0.221548 0.824659 O\n0.085490 0.831085 0.868434 O\n0.092582 0.518272 0.327513 O\n",
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{
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"structure_string": "Ca1 La2 Fe2 Te2 O12\n1.0\n-2.786615 -4.847633 -0.001816\n-5.571253 -0.001172 -0.004601\n-0.010332 0.004509 -9.918370\nCa La Fe Te O\n1 2 2 2 12\ndirect\n0.666301 0.667615 0.055230 Ca\n0.001446 0.998691 0.494992 La\n0.000638 0.000565 0.971582 La\n0.327835 0.335941 0.742383 Fe\n0.667148 0.667049 0.364879 Fe\n0.667083 0.665159 0.734620 Te\n0.333311 0.333872 0.235770 Te\n0.966233 0.372003 0.632147 O\n0.658758 0.957785 0.625804 O\n0.376433 0.648669 0.633659 O\n0.635530 0.065424 0.126365 O\n0.299734 0.639490 0.128263 O\n0.063440 0.302215 0.126434 O\n0.040031 0.609187 0.355712 O\n0.349188 0.037895 0.353834 O\n0.612325 0.348826 0.354731 O\n0.399675 0.967061 0.853446 O\n0.638445 0.404342 0.859672 O\n0.958946 0.640709 0.856728 O\n",
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{
"id": "mp-1238781",
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"structure_string": "La4 Al2 O9\n1.0\n5.554378 -0.011653 0.617783\n-0.111748 6.418580 0.100761\n-1.396137 0.035876 7.347102\nLa Al O\n4 2 9\ndirect\n0.156477 0.860321 0.707477 La\n0.129403 0.672932 0.226976 La\n0.729796 0.415088 0.872417 La\n0.692371 0.162782 0.367169 La\n0.224528 0.340100 0.660192 Al\n0.221262 0.211927 0.089471 Al\n0.127076 0.204060 0.857062 O\n0.941966 0.391461 0.554991 O\n0.393703 0.572219 0.699963 O\n0.348559 0.978075 0.174299 O\n0.435379 0.151499 0.608557 O\n0.440872 0.410407 0.139020 O\n0.943864 0.876309 0.436107 O\n0.949907 0.313563 0.157752 O\n0.942128 0.705779 0.938822 O\n",
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]
}