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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=115",
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"results": [
{
"id": "mp-776483",
"created_at": "2022-09-04T14:40:09.512464Z",
"structure_string": "Li8 Mn4 P4 O16 F4\n1.0\n7.402659 0.000000 0.000000\n-3.521795 -6.825798 0.000000\n-0.233915 0.083848 -7.989589\nLi Mn P O F\n8 4 4 16 4\ndirect\n0.718796 0.166295 0.848247 Li\n0.675614 0.584005 0.942008 Li\n0.064296 0.837774 0.670047 Li\n0.387989 0.174790 0.820379 Li\n0.583610 0.855985 0.174795 Li\n0.249744 0.496050 0.253894 Li\n0.825702 0.404807 0.553265 Li\n0.914772 0.138559 0.325307 Li\n0.481606 0.984028 0.492755 Mn\n0.506963 0.507492 0.508320 Mn\n0.018554 0.516755 0.996881 Mn\n0.015827 0.007546 0.009580 Mn\n0.476252 0.767943 0.855637 P\n0.027861 0.230763 0.643238 P\n0.981880 0.760229 0.348749 P\n0.519235 0.236503 0.150612 P\n0.685300 0.921432 0.938788 O\n0.342402 0.666170 0.007771 O\n0.513108 0.615157 0.757257 O\n0.115466 0.119457 0.754664 O\n0.389186 0.880632 0.745296 O\n0.976823 0.368648 0.756189 O\n0.169528 0.346771 0.500864 O\n0.819318 0.089202 0.558109 O\n0.176562 0.916134 0.439169 O\n0.837426 0.648037 0.495315 O\n0.023444 0.613974 0.245004 O\n0.616530 0.131472 0.262352 O\n0.880724 0.863321 0.237765 O\n0.486461 0.390553 0.249076 O\n0.666139 0.337784 0.998827 O\n0.322176 0.084143 0.059329 O\n0.946824 0.729260 0.881018 F\n0.457963 0.725047 0.372240 F\n0.555788 0.268756 0.628058 F\n0.038616 0.272105 0.125810 F\n",
"nsites": 36,
"nelements": 5,
"elements": [
"Li",
"Mn",
"P",
"O",
"F"
],
"chemical_system": "F-Li-Mn-O-P",
"density": 3.0074295018295483,
"density_atomic": 0.08917372032397755,
"volume": 403.7063819834834,
"volume_molar": 6.753268494485737,
"formula_full": "Li8 Mn4 P4 O16 F4",
"formula_reduced": "Li2MnPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -257.01950927,
"energy_per_atom": -7.139430813055556,
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"band_gap": 3.342,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.359000Z",
"spacegroup": 1
},
{
"id": "mp-1644001",
"created_at": "2022-09-04T14:40:09.556041Z",
"structure_string": "Li14 Mn10 O24\n1.0\n5.575105 -0.027323 -2.268540\n0.675220 6.130864 4.507291\n4.683835 -6.132206 6.250359\nLi Mn O\n14 10 24\ndirect\n0.169221 0.665768 0.002740 Li\n0.669698 0.165756 0.502721 Li\n0.677924 0.422449 0.755451 Li\n0.178188 0.922629 0.255511 Li\n0.151302 0.406945 0.744506 Li\n0.651137 0.906815 0.244354 Li\n0.848380 0.586760 0.244281 Li\n0.348464 0.086637 0.744148 Li\n0.503108 0.755507 0.761037 Li\n0.003349 0.255546 0.261102 Li\n0.995621 0.740251 0.749158 Li\n0.495697 0.240265 0.249039 Li\n0.320043 0.583716 0.243163 Li\n0.820107 0.083714 0.743141 Li\n0.168694 0.166607 0.500230 Mn\n0.496833 0.496794 0.497811 Mn\n0.832798 0.837477 0.501478 Mn\n0.490418 0.996687 0.996875 Mn\n0.842693 0.340717 0.002718 Mn\n0.668497 0.666517 0.000093 Mn\n0.996576 0.996885 0.997698 Mn\n0.332610 0.337430 0.001411 Mn\n0.990674 0.496767 0.497046 Mn\n0.342632 0.840616 0.502750 Mn\n0.893009 0.790467 0.105637 O\n0.393351 0.290604 0.605861 O\n0.444826 0.545808 0.893270 O\n0.945318 0.045952 0.393409 O\n0.608540 0.468605 0.118404 O\n0.108685 0.968808 0.618502 O\n0.726743 0.867103 0.883324 O\n0.227066 0.367139 0.383426 O\n0.268414 0.122743 0.115655 O\n0.768689 0.622739 0.615749 O\n0.063976 0.207449 0.884892 O\n0.564168 0.707426 0.384962 O\n0.432939 0.797785 0.112875 O\n0.933267 0.297856 0.612993 O\n0.903613 0.543881 0.884859 O\n0.403913 0.044060 0.384856 O\n0.098352 0.445633 0.121021 O\n0.598509 0.945671 0.621049 O\n0.762588 0.394150 0.392361 O\n0.262237 0.894096 0.892215 O\n0.733877 0.115839 0.103748 O\n0.234237 0.615926 0.603891 O\n0.564366 0.200515 0.884219 O\n0.064651 0.700488 0.384360 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O",
"density": 3.8732992449096413,
"density_atomic": 0.10864464285423962,
"volume": 441.80733388205806,
"volume_molar": 5.542970736329314,
"formula_full": "Li14 Mn10 O24",
"formula_reduced": "Li7Mn5O12",
"formula_anonymous": "A5B7C12",
"energy": -339.93791278000003,
"energy_per_atom": -7.082039849583334,
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"total_magnetization": 2.9e-06,
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"updated_at": "2021-11-28T01:34:47.272000Z",
"spacegroup": 1
},
{
"id": "mp-720222",
"created_at": "2022-09-04T14:40:09.722737Z",
"structure_string": "Na6 Ca2 Al6 Si6 S2 O32\n1.0\n7.828680 0.000000 0.000000\n2.622961 7.402703 0.000000\n0.025454 0.018861 12.815827\nNa Ca Al Si S O\n6 2 6 6 2 32\ndirect\n0.194873 0.805242 0.821361 Na\n0.704032 0.297701 0.294374 Na\n0.182303 0.812194 0.173243 Na\n0.101300 0.503878 0.498704 Na\n0.003408 0.374940 0.001714 Na\n0.629621 0.995174 0.001039 Na\n0.678892 0.328834 0.699547 Ca\n0.495951 0.860251 0.500412 Ca\n0.628621 0.628015 0.874713 Al\n0.375365 0.369518 0.873762 Al\n0.116963 0.130490 0.629412 Al\n0.498686 0.997670 0.248585 Al\n0.871283 0.878943 0.630024 Al\n0.003124 0.499235 0.249767 Al\n0.007676 0.505076 0.750014 Si\n0.124703 0.119052 0.377243 Si\n0.493483 0.993871 0.749704 Si\n0.877294 0.872586 0.378014 Si\n0.628082 0.621157 0.123209 Si\n0.380484 0.372164 0.122770 Si\n0.509525 0.500285 0.503668 S\n0.990130 0.010340 0.995639 S\n0.553880 0.861093 0.849733 O\n0.005408 0.701914 0.707830 O\n0.805424 0.511985 0.788244 O\n0.412692 0.606514 0.596856 O\n0.700272 0.503889 0.509250 O\n0.062644 0.362524 0.652124 O\n0.465914 0.534711 0.838804 O\n0.055935 0.333723 0.349955 O\n0.491246 0.209240 0.201725 O\n0.657710 0.939661 0.353574 O\n0.198195 0.083348 0.498272 O\n0.142347 0.442114 0.849447 O\n0.508391 0.312554 0.509580 O\n0.293963 0.996593 0.306154 O\n0.885558 0.113414 0.904583 O\n0.903607 0.096112 0.095368 O\n0.181493 0.009860 0.991309 O\n0.550873 0.836491 0.149641 O\n0.492259 0.194734 0.784720 O\n0.948556 0.047929 0.359547 O\n0.920533 0.076882 0.649692 O\n0.634102 0.928636 0.649331 O\n0.701463 0.593331 0.004135 O\n0.991125 0.818996 0.992176 O\n0.900690 0.806042 0.498854 O\n0.298606 0.993762 0.704519 O\n0.421649 0.598557 0.407632 O\n0.995552 0.708169 0.303651 O\n0.456817 0.543607 0.141795 O\n0.164486 0.450155 0.149615 O\n0.791221 0.509103 0.201080 O\n0.411590 0.297739 0.003881 O\n",
"nsites": 54,
"nelements": 6,
"elements": [
"Na",
"Ca",
"Al",
"Si",
"S",
"O"
],
"chemical_system": "Al-Ca-Na-O-S-Si",
"density": 2.514343600672258,
"density_atomic": 0.07270566590062325,
"volume": 742.7206577518892,
"volume_molar": 8.282904345077151,
"formula_full": "Na6 Ca2 Al6 Si6 S2 O32",
"formula_reduced": "Na3CaAl3Si3SO16",
"formula_anonymous": "ABC3D3E3F16",
"energy": -396.35423588,
"energy_per_atom": -7.339893257037037,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -374.37023588,
"band_gap": 3.7823,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.818000Z",
"spacegroup": 1
},
{
"id": "mp-1178259",
"created_at": "2022-09-04T14:40:10.011605Z",
"structure_string": "Fe4 Co12 O32\n1.0\n8.038677 0.000000 0.000000\n0.047292 8.111378 0.000000\n0.002084 0.040296 8.158413\nFe Co O\n4 12 32\ndirect\n0.126442 0.876495 0.376286 Fe\n0.376212 0.126444 0.875055 Fe\n0.626578 0.626103 0.622305 Fe\n0.876492 0.375369 0.126633 Fe\n0.120262 0.127504 0.626455 Co\n0.124449 0.379629 0.871544 Co\n0.128214 0.626872 0.118869 Co\n0.369873 0.373934 0.617384 Co\n0.374938 0.617368 0.367773 Co\n0.375994 0.870500 0.123154 Co\n0.617528 0.368034 0.376107 Co\n0.626535 0.120078 0.129677 Co\n0.631476 0.875344 0.879815 Co\n0.868913 0.122939 0.379278 Co\n0.875144 0.882104 0.634410 Co\n0.879807 0.632889 0.876228 Co\n0.108130 0.114103 0.394953 O\n0.107243 0.900117 0.626163 O\n0.115832 0.609585 0.885278 O\n0.136047 0.144614 0.858962 O\n0.114375 0.392457 0.107760 O\n0.136992 0.359938 0.637096 O\n0.138996 0.640100 0.354345 O\n0.148884 0.856265 0.120573 O\n0.359379 0.138833 0.640343 O\n0.357915 0.362873 0.856431 O\n0.362620 0.635045 0.136847 O\n0.373977 0.601958 0.596345 O\n0.366889 0.856552 0.352166 O\n0.383358 0.382757 0.384479 O\n0.390037 0.110098 0.108760 O\n0.391137 0.890416 0.890551 O\n0.600601 0.376403 0.602320 O\n0.604636 0.597674 0.375159 O\n0.610406 0.889443 0.112411 O\n0.636932 0.351661 0.142088 O\n0.612635 0.110474 0.892093 O\n0.635243 0.135616 0.363589 O\n0.644012 0.873596 0.652312 O\n0.649992 0.647309 0.873155 O\n0.857900 0.352862 0.363365 O\n0.854507 0.120447 0.149340 O\n0.864198 0.866118 0.867303 O\n0.885297 0.893198 0.398512 O\n0.876496 0.652321 0.647406 O\n0.884867 0.114873 0.614095 O\n0.892991 0.394020 0.889167 O\n0.898621 0.626808 0.105800 O\n",
"nsites": 48,
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"elements": [
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"Co",
"O"
],
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"density": 4.502957192423528,
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"volume": 531.9672618432468,
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"formula_full": "Fe4 Co12 O32",
"formula_reduced": "FeCo3O8",
"formula_anonymous": "AB3C8",
"energy": -328.08238551,
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"updated_at": "2021-11-28T01:34:47.487000Z",
"spacegroup": 1
},
{
"id": "mp-556985",
"created_at": "2022-09-04T14:40:09.777232Z",
"structure_string": "Si4 O8\n1.0\n4.926620 0.000000 0.000000\n-1.494095 6.895435 0.000000\n-1.738633 -3.359687 6.067486\nSi O\n4 8\ndirect\n0.815292 0.159890 0.283829 Si\n0.437039 0.144448 0.528825 Si\n0.817028 0.569309 0.632002 Si\n0.451595 0.872317 0.772435 Si\n0.674748 0.397025 0.713087 O\n0.609914 0.720170 0.628680 O\n0.811435 0.414840 0.384267 O\n0.163997 0.726197 0.791225 O\n0.696661 0.045189 0.018180 O\n0.336725 0.006974 0.649577 O\n0.603643 0.024464 0.366768 O\n0.150713 0.162119 0.375976 O\n",
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],
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"density": 1.9362016114590115,
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"volume": 206.11970747019802,
"volume_molar": 10.344015764962966,
"formula_full": "Si4 O8",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -99.96067171,
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},
{
"id": "mp-1233706",
"created_at": "2022-09-04T14:40:09.849922Z",
"structure_string": "Sm4 Mg1 V4 O12\n1.0\n5.527853 0.159506 -0.068185\n0.170325 6.033686 -0.077329\n-0.098395 -0.093644 8.002687\nSm Mg V O\n4 1 4 12\ndirect\n0.991281 0.417249 0.763388 Sm\n0.050088 0.622921 0.207046 Sm\n0.432081 0.078383 0.238862 Sm\n0.524850 0.922311 0.765605 Sm\n0.868029 0.262927 0.360581 Mg\n0.991936 0.927179 0.534498 V\n0.486415 0.513221 0.502373 V\n0.994702 0.008534 0.992986 V\n0.512130 0.494648 0.993263 V\n0.293017 0.820110 0.429342 O\n0.719725 0.177651 0.566084 O\n0.801918 0.685070 0.578811 O\n0.188295 0.334889 0.412762 O\n0.813904 0.689354 0.946467 O\n0.192957 0.314088 0.045626 O\n0.325376 0.804507 0.052065 O\n0.679608 0.203259 0.937106 O\n0.860399 0.970730 0.256663 O\n0.127008 0.033430 0.749053 O\n0.379706 0.547058 0.758582 O\n0.635625 0.453732 0.242170 O\n",
"nsites": 21,
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"elements": [
"Sm",
"Mg",
"V",
"O"
],
"chemical_system": "Mg-O-Sm-V",
"density": 6.362024448576118,
"density_atomic": 0.0787635975493841,
"volume": 266.6206300040216,
"volume_molar": 7.645842682876655,
"formula_full": "Sm4 Mg1 V4 O12",
"formula_reduced": "Sm4MgV4O12",
"formula_anonymous": "AB4C4D12",
"energy": -178.5753888,
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"updated_at": "2021-11-28T01:34:56.305000Z",
"spacegroup": 1
},
{
"id": "mp-877768",
"created_at": "2022-09-04T14:40:09.876554Z",
"structure_string": "Mn10 Cr6 O32\n1.0\n5.834219 0.000000 0.000000\n-2.913009 5.062268 0.000000\n-0.025453 -3.355016 19.065310\nMn Cr O\n10 6 32\ndirect\n0.125041 0.000074 0.624989 Mn\n0.374903 0.999996 0.875048 Mn\n0.499919 0.999834 0.999987 Mn\n0.249256 0.999322 0.750252 Mn\n0.874985 0.999920 0.875027 Mn\n0.000859 0.000916 0.499744 Mn\n0.375089 0.000883 0.375082 Mn\n0.124833 0.999030 0.124919 Mn\n0.875657 0.000840 0.375057 Mn\n0.624302 0.999048 0.124919 Mn\n0.874613 0.499686 0.875069 Cr\n0.625131 0.000128 0.624987 Cr\n0.625100 0.500088 0.624946 Cr\n0.374993 0.500034 0.375182 Cr\n0.750035 0.000088 0.249993 Cr\n0.125396 0.500194 0.124757 Cr\n0.462757 0.233250 0.933814 O\n0.902384 0.232881 0.933920 O\n0.957152 0.766013 0.926091 O\n0.846723 0.766654 0.816331 O\n0.286816 0.766430 0.816328 O\n0.285536 0.204683 0.816380 O\n0.464081 0.795402 0.933798 O\n0.212205 0.795935 0.684293 O\n0.403346 0.234127 0.433702 O\n0.650788 0.233620 0.684144 O\n0.792745 0.233851 0.823959 O\n0.541713 0.233235 0.574164 O\n0.708408 0.766907 0.675768 O\n0.037920 0.204255 0.565716 O\n0.787109 0.767658 0.316561 O\n0.037552 0.767209 0.566208 O\n0.212733 0.233089 0.683725 O\n0.963709 0.234218 0.433717 O\n0.964238 0.795279 0.433834 O\n0.292875 0.233872 0.323798 O\n0.347791 0.767847 0.316473 O\n0.457636 0.766650 0.425933 O\n0.206991 0.765830 0.176167 O\n0.599393 0.766679 0.565791 O\n0.535945 0.204515 0.066051 O\n0.784992 0.204721 0.317168 O\n0.712846 0.232301 0.183451 O\n0.715025 0.795190 0.182790 O\n0.042390 0.233519 0.074132 O\n0.152237 0.231928 0.183544 O\n0.097486 0.766280 0.066100 O\n0.536363 0.765888 0.066196 O\n",
"nsites": 48,
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"elements": [
"Mn",
"Cr",
"O"
],
"chemical_system": "Cr-Mn-O",
"density": 4.049997501492614,
"density_atomic": 0.08524511589942256,
"volume": 563.0821131926591,
"volume_molar": 7.06449946892593,
"formula_full": "Mn10 Cr6 O32",
"formula_reduced": "Mn5Cr3O16",
"formula_anonymous": "A3B5C16",
"energy": -328.17289225,
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"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:47.264000Z",
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},
{
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