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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=120",
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"results": [
{
"id": "mp-1235057",
"created_at": "2022-09-04T14:40:12.679732Z",
"structure_string": "Li1 Nb2 Te4 Cl10 O1\n1.0\n6.993515 -0.029334 0.310297\n2.383511 8.746366 1.472488\n-0.362601 0.051478 9.399520\nLi Nb Te Cl O\n1 2 4 10 1\ndirect\n0.406295 0.966065 0.574279 Li\n0.524742 0.614714 0.636661 Nb\n0.486614 0.364300 0.351459 Nb\n0.182786 0.904754 0.162509 Te\n0.082034 0.185136 0.989176 Te\n0.914386 0.811145 0.010032 Te\n0.811934 0.091293 0.838076 Te\n0.448783 0.183589 0.200055 Cl\n0.386117 0.485953 0.826193 Cl\n0.800489 0.204384 0.429591 Cl\n0.157901 0.523015 0.279860 Cl\n0.618151 0.513723 0.175400 Cl\n0.327654 0.229127 0.547815 Cl\n0.852381 0.480375 0.718603 Cl\n0.649238 0.787753 0.458131 Cl\n0.199433 0.792235 0.572786 Cl\n0.545657 0.818335 0.801078 Cl\n0.503554 0.494104 0.499724 O\n",
"nsites": 18,
"nelements": 5,
"elements": [
"Li",
"Nb",
"Te",
"Cl",
"O"
],
"chemical_system": "Cl-Li-Nb-O-Te",
"density": 3.0946915544179334,
"density_atomic": 0.031243856596084803,
"volume": 576.1132574861324,
"volume_molar": 19.274639612686737,
"formula_full": "Li1 Nb2 Te4 Cl10 O1",
"formula_reduced": "LiNb2Te4Cl10O",
"formula_anonymous": "ABC2D4E10",
"energy": -84.24212136,
"energy_per_atom": -4.680117853333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -77.41512136,
"band_gap": 0.0282,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.9920599,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.935000Z",
"spacegroup": 1
},
{
"id": "mp-831237",
"created_at": "2022-09-04T14:40:12.472011Z",
"structure_string": "Li4 Mn4 H32 S8 O48\n1.0\n-9.319113 0.000000 0.000000\n-0.023537 -11.605671 0.000000\n4.637392 4.910723 9.599859\nLi Mn H S O\n4 4 32 8 48\ndirect\n0.245884 0.213394 0.275665 Li\n0.429973 0.791284 0.729717 Li\n0.973426 0.286925 0.725066 Li\n0.694236 0.699908 0.263735 Li\n0.002668 0.999756 0.498442 Mn\n0.248833 0.750043 0.000121 Mn\n0.503265 0.501939 0.502178 Mn\n0.746532 0.249566 0.000426 Mn\n0.998327 0.168020 0.962233 H\n0.091624 0.539433 0.729648 H\n0.111338 0.675428 0.726010 H\n0.258759 0.044430 0.737676 H\n0.020872 0.969621 0.257695 H\n0.464794 0.169784 0.972849 H\n0.289468 0.959848 0.605545 H\n0.192246 0.526259 0.389134 H\n0.192104 0.040201 0.387625 H\n0.311439 0.472961 0.607818 H\n0.498693 0.667319 0.958103 H\n0.036153 0.331732 0.038772 H\n0.239995 0.471763 0.264340 H\n0.477886 0.539446 0.736311 H\n0.362786 0.962683 0.269800 H\n0.592243 0.173189 0.727855 H\n0.387288 0.827615 0.275186 H\n0.641756 0.039855 0.730775 H\n0.522122 0.455674 0.261822 H\n0.762176 0.529704 0.741512 H\n0.968154 0.670938 0.977037 H\n0.493381 0.329212 0.028080 H\n0.683983 0.540321 0.393877 H\n0.805833 0.975454 0.612569 H\n0.803358 0.459714 0.611068 H\n0.706578 0.033004 0.394886 H\n0.541412 0.831656 0.042681 H\n0.976913 0.029063 0.737308 H\n0.743127 0.963860 0.265093 H\n0.865293 0.326884 0.273586 H\n0.912568 0.460053 0.270372 H\n0.989479 0.828006 0.022297 H\n0.223858 0.032236 0.969104 S\n0.018388 0.289771 0.514985 S\n0.506556 0.790197 0.523338 S\n0.256200 0.468633 0.032227 S\n0.722145 0.532109 0.971571 S\n0.502162 0.211810 0.485858 S\n0.982617 0.711313 0.476537 S\n0.749659 0.965651 0.027102 S\n0.056757 0.043923 0.891346 O\n0.170438 0.375156 0.884927 O\n0.018893 0.184166 0.564504 O\n0.220905 0.896884 0.949531 O\n0.155369 0.629313 0.783091 O\n0.082189 0.762253 0.626429 O\n0.038264 0.602492 0.393004 O\n0.324823 0.053436 0.904397 O\n0.180381 0.332203 0.540593 O\n0.236440 0.032270 0.642503 O\n0.090048 0.983139 0.353720 O\n0.041586 0.749233 0.998220 O\n0.261061 0.469012 0.354500 O\n0.405258 0.542841 0.647044 O\n0.376110 0.829387 0.566374 O\n0.168078 0.455966 0.110594 O\n0.558642 0.545086 0.886995 O\n0.353079 0.108672 0.385276 O\n0.531195 0.259152 0.630333 O\n0.284329 0.125586 0.116204 O\n0.451787 0.318094 0.437700 O\n0.629764 0.128316 0.787231 O\n0.270055 0.603891 0.051447 O\n0.715732 0.395383 0.948067 O\n0.371886 0.872161 0.216369 O\n0.558916 0.685280 0.570578 O\n0.652413 0.875207 0.880073 O\n0.457161 0.739530 0.373870 O\n0.645996 0.898124 0.607551 O\n0.422525 0.448479 0.096135 O\n0.832388 0.555495 0.915656 O\n0.638802 0.170168 0.458911 O\n0.593464 0.469428 0.357827 O\n0.734936 0.516752 0.645435 O\n0.459967 0.749744 0.002348 O\n0.541393 0.249442 0.002329 O\n0.908571 0.033046 0.647885 O\n0.762174 0.963211 0.356190 O\n0.809638 0.672580 0.433665 O\n0.670865 0.955058 0.112902 O\n0.968148 0.392746 0.615435 O\n0.902866 0.240935 0.370479 O\n0.845393 0.371341 0.213866 O\n0.768837 0.102103 0.049946 O\n0.989312 0.816178 0.430006 O\n0.772582 0.622290 0.119148 O\n0.915289 0.940987 0.082910 O\n0.955309 0.250016 0.998769 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"Li",
"Mn",
"H",
"S",
"O"
],
"chemical_system": "H-Li-Mn-O-S",
"density": 2.0859508527325694,
"density_atomic": 0.0924616301368066,
"volume": 1038.2685213094126,
"volume_molar": 6.513124147919107,
"formula_full": "Li4 Mn4 H32 S8 O48",
"formula_reduced": "LiMnH8(SO6)2",
"formula_anonymous": "ABC2D8E12",
"energy": -578.58065364,
"energy_per_atom": -6.026881808750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -538.93265364,
"band_gap": 1.1821000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0003962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.504000Z",
"spacegroup": 1
},
{
"id": "mp-780165",
"created_at": "2022-09-04T14:40:12.648765Z",
"structure_string": "Mn12 O10 F14\n1.0\n5.116365 0.000000 0.000000\n-0.007150 5.695545 0.000000\n-0.414904 -0.156689 14.677483\nMn O F\n12 10 14\ndirect\n0.960535 0.888558 0.005691 Mn\n0.511684 0.145587 0.172272 Mn\n0.010325 0.880635 0.333321 Mn\n0.504673 0.080461 0.513950 Mn\n0.045323 0.884995 0.664721 Mn\n0.507932 0.033923 0.821180 Mn\n0.012723 0.476986 0.167682 Mn\n0.482052 0.491037 0.001518 Mn\n0.515411 0.569416 0.662049 Mn\n0.048594 0.424311 0.491682 Mn\n0.507234 0.587774 0.329413 Mn\n0.959939 0.580123 0.825919 Mn\n0.356621 0.849464 0.593228 O\n0.739422 0.795082 0.744899 O\n0.181265 0.607912 0.066284 O\n0.825994 0.638010 0.264329 O\n0.754638 0.670625 0.933744 O\n0.212882 0.645894 0.735993 O\n0.195747 0.639374 0.395945 O\n0.355387 0.355431 0.574478 O\n0.326935 0.390097 0.236342 O\n0.688021 0.381721 0.103783 O\n0.344657 0.900543 0.246970 F\n0.685154 0.895062 0.098523 F\n0.665337 0.842087 0.418293 F\n0.214848 0.892648 0.908888 F\n0.836834 0.592776 0.586959 F\n0.242118 0.416581 0.898081 F\n0.681229 0.338947 0.428226 F\n0.676391 0.337291 0.754713 F\n0.176406 0.121192 0.415609 F\n0.174531 0.113266 0.078354 F\n0.178093 0.139896 0.751477 F\n0.873866 0.097663 0.578192 F\n0.701593 0.163394 0.937734 F\n0.845608 0.131241 0.259562 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.213294039792817,
"density_atomic": 0.08416937606872517,
"volume": 427.7090039328036,
"volume_molar": 7.154788405563158,
"formula_full": "Mn12 O10 F14",
"formula_reduced": "Mn6O5F7",
"formula_anonymous": "A5B6C7",
"energy": -272.73535183,
"energy_per_atom": -7.575981995277778,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -239.38135183000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 50.0009995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.674000Z",
"spacegroup": 1
},
{
"id": "mp-850830",
"created_at": "2022-09-04T14:40:13.096652Z",
"structure_string": "Mn12 O14 F10\n1.0\n4.621669 0.094896 -0.011115\n0.103853 5.684271 -0.001954\n-0.032760 -0.009326 15.298133\nMn O F\n12 14 10\ndirect\n0.016682 0.153015 0.407368 Mn\n0.018739 0.837629 0.242619 Mn\n0.995750 0.153445 0.079002 Mn\n0.019571 0.167097 0.751551 Mn\n0.009286 0.825660 0.575504 Mn\n0.042197 0.847941 0.914933 Mn\n0.519597 0.375696 0.588816 Mn\n0.478776 0.350828 0.925098 Mn\n0.498725 0.364186 0.258860 Mn\n0.500285 0.648605 0.086575 Mn\n0.497711 0.654810 0.416391 Mn\n0.484074 0.637083 0.752775 Mn\n0.234363 0.115086 0.300835 O\n0.219737 0.112490 0.972103 O\n0.213057 0.881178 0.135045 O\n0.221175 0.886745 0.465619 O\n0.234888 0.882734 0.807544 O\n0.272666 0.605106 0.310648 O\n0.277903 0.608134 0.644944 O\n0.283557 0.394350 0.812966 O\n0.272377 0.614776 0.977033 O\n0.713939 0.377971 0.029110 O\n0.719650 0.609319 0.194885 O\n0.719607 0.380009 0.362366 O\n0.717041 0.620271 0.525804 O\n0.729461 0.394551 0.695225 O\n0.245440 0.111531 0.633699 F\n0.257371 0.379481 0.151594 F\n0.260157 0.380464 0.485673 F\n0.744465 0.622370 0.859120 F\n0.748005 0.124846 0.189673 F\n0.766578 0.131134 0.525386 F\n0.775053 0.878785 0.347612 F\n0.771442 0.871668 0.015156 F\n0.755988 0.115717 0.865056 F\n0.764686 0.885288 0.693416 F\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 4.436045549428213,
"density_atomic": 0.08960984316483635,
"volume": 401.741580261204,
"volume_molar": 6.720400959660578,
"formula_full": "Mn12 O14 F10",
"formula_reduced": "Mn6O7F5",
"formula_anonymous": "A5B6C7",
"energy": -277.92049946000003,
"energy_per_atom": -7.72001387388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -243.66649946,
"band_gap": 0.0,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.919000Z",
"spacegroup": 1
},
{
"id": "mp-1234882",
"created_at": "2022-09-04T14:40:12.781789Z",
"structure_string": "Ba2 Mg1 V2 Si4 O14\n1.0\n0.208786 -0.107233 5.606976\n7.400577 -0.075782 0.268820\n-0.180103 7.819400 -2.956095\nBa Mg V Si O\n2 1 2 4 14\ndirect\n0.807131 0.738593 0.628705 Ba\n0.236611 0.253304 0.456852 Ba\n0.021418 0.646588 0.191592 Mg\n0.155255 0.966651 0.101655 V\n0.907182 0.248436 0.798632 V\n0.422176 0.527449 0.825787 Si\n0.609110 0.465539 0.234790 Si\n0.395650 0.968068 0.799817 Si\n0.666731 0.027663 0.215025 Si\n0.148041 0.434152 0.754755 O\n0.370404 0.518923 0.293853 O\n0.100315 0.053816 0.705329 O\n0.484224 0.957564 0.310464 O\n0.572420 0.521686 0.036452 O\n0.473570 0.999335 0.010115 O\n0.023585 0.758681 0.983876 O\n0.023997 0.204418 0.030759 O\n0.380782 0.744366 0.761670 O\n0.691869 0.244489 0.262780 O\n0.613045 0.437671 0.730562 O\n0.877602 0.553436 0.352224 O\n0.594715 0.051034 0.728378 O\n0.950167 0.928139 0.262487 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ba",
"Mg",
"V",
"Si",
"O"
],
"chemical_system": "Ba-Mg-O-Si-V",
"density": 3.805651483679476,
"density_atomic": 0.07150506409887082,
"volume": 321.655539923685,
"volume_molar": 8.421977989801004,
"formula_full": "Ba2 Mg1 V2 Si4 O14",
"formula_reduced": "Ba2MgV2(Si2O7)2",
"formula_anonymous": "AB2C2D4E14",
"energy": -185.06326934,
"energy_per_atom": -8.046229101739131,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -172.04526934,
"band_gap": 1.5277000000000005,
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"is_magnetic": true,
"total_magnetization": 3.9998877,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.923000Z",
"spacegroup": 1
},
{
"id": "mp-849996",
"created_at": "2022-09-04T14:40:12.749048Z",
"structure_string": "Li12 Mn8 P16 O56\n1.0\n9.848638 0.000000 0.000000\n-0.100418 -9.869706 0.000000\n-2.554470 0.006811 -11.049411\nLi Mn P O\n12 8 16 56\ndirect\n0.884346 0.711706 0.549106 Li\n0.911047 0.107567 0.973877 Li\n0.588528 0.610183 0.027132 Li\n0.663559 0.919719 0.540702 Li\n0.622471 0.225640 0.449513 Li\n0.340004 0.066113 0.462716 Li\n0.414128 0.393575 0.969785 Li\n0.147824 0.588063 0.044669 Li\n0.351654 0.089911 0.956465 Li\n0.086423 0.893859 0.029598 Li\n0.174019 0.581559 0.545932 Li\n0.106696 0.280067 0.448905 Li\n0.795687 0.919496 0.322505 Mn\n0.743359 0.213811 0.174914 Mn\n0.755254 0.713893 0.825141 Mn\n0.705013 0.426685 0.672574 Mn\n0.295308 0.578388 0.326017 Mn\n0.240669 0.285137 0.173673 Mn\n0.260345 0.782820 0.825477 Mn\n0.202925 0.074717 0.673736 Mn\n0.974471 0.451604 0.246427 P\n0.880743 0.708498 0.110558 P\n0.940286 0.929477 0.758395 P\n0.876355 0.149896 0.575439 P\n0.620768 0.644077 0.427259 P\n0.559508 0.430663 0.241079 P\n0.476817 0.050724 0.240324 P\n0.620962 0.211413 0.887843 P\n0.383541 0.793781 0.109338 P\n0.525740 0.950078 0.753812 P\n0.438681 0.570204 0.757536 P\n0.379099 0.351132 0.575642 P\n0.121159 0.849375 0.424068 P\n0.060974 0.068975 0.244133 P\n0.117309 0.292852 0.889609 P\n0.025558 0.549210 0.759262 P\n0.984977 0.421749 0.377324 O\n0.968888 0.837536 0.438658 O\n0.914793 0.087268 0.270242 O\n0.889992 0.348851 0.155713 O\n0.898589 0.594371 0.216931 O\n0.825973 0.829414 0.166967 O\n0.771989 0.651192 0.999803 O\n0.980675 0.266118 0.920858 O\n0.884857 0.074315 0.704587 O\n0.936176 0.933154 0.890738 O\n0.871731 0.542597 0.779686 O\n0.806544 0.283637 0.586459 O\n0.833033 0.821418 0.691373 O\n0.778624 0.060343 0.479799 O\n0.716399 0.569067 0.531983 O\n0.655513 0.313749 0.299619 O\n0.684566 0.785465 0.418005 O\n0.630370 0.043562 0.219252 O\n0.627057 0.570345 0.301577 O\n0.559407 0.440559 0.108861 O\n0.520446 0.768876 0.078980 O\n0.729060 0.157156 0.999445 O\n0.676320 0.331841 0.827622 O\n0.602560 0.094394 0.785116 O\n0.583397 0.589893 0.729278 O\n0.609123 0.846925 0.843126 O\n0.478129 0.088738 0.370386 O\n0.530286 0.344569 0.559094 O\n0.467155 0.650589 0.433251 O\n0.519415 0.928430 0.621959 O\n0.389288 0.141137 0.143092 O\n0.413141 0.416858 0.270750 O\n0.409280 0.901769 0.222570 O\n0.311880 0.673547 0.158168 O\n0.277796 0.863588 0.002198 O\n0.481252 0.228399 0.920629 O\n0.438368 0.563573 0.890636 O\n0.383670 0.420795 0.704529 O\n0.377324 0.961413 0.784968 O\n0.317826 0.209099 0.582000 O\n0.328589 0.671774 0.693228 O\n0.279239 0.435678 0.480611 O\n0.212937 0.939639 0.518323 O\n0.165844 0.175268 0.313314 O\n0.178274 0.707038 0.411035 O\n0.124805 0.468102 0.215320 O\n0.065811 0.066654 0.111644 O\n0.116286 0.921206 0.294354 O\n0.020864 0.725854 0.078162 O\n0.223363 0.364747 0.995723 O\n0.188460 0.173303 0.841233 O\n0.091059 0.400864 0.776089 O\n0.112656 0.640276 0.859258 O\n0.085341 0.909006 0.732001 O\n0.026327 0.162028 0.559862 O\n0.028461 0.591482 0.631996 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.9597111071825957,
"density_atomic": 0.08565807465800765,
"volume": 1074.0376825805702,
"volume_molar": 7.030441419613472,
"formula_full": "Li12 Mn8 P16 O56",
"formula_reduced": "Li3Mn2(P2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -698.4089989400001,
"energy_per_atom": -7.591402162391305,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -646.59299894,
"band_gap": 0.1143,
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"is_magnetic": true,
"total_magnetization": 35.9954284,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.372000Z",
"spacegroup": 1
},
{
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}