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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=12176",
"results": [
{
"id": "mp-1573669",
"created_at": "2022-09-04T14:39:05.558726Z",
"structure_string": "Ca10 Sc4 Co4 O24\n1.0\n-0.337426 6.419424 -0.220565\n-6.489769 0.106233 6.761508\n6.380429 0.000842 6.100091\nCa Sc Co O\n10 4 4 24\ndirect\n0.614464 0.317904 0.566093 Ca\n0.618599 0.815741 0.067363 Ca\n0.739379 0.135355 0.245695 Ca\n0.742899 0.632473 0.745024 Ca\n0.120492 0.186162 0.571802 Ca\n0.121126 0.684241 0.075446 Ca\n0.892657 0.808950 0.434411 Ca\n0.887887 0.314510 0.934377 Ca\n0.253497 0.863947 0.742951 Ca\n0.254253 0.368163 0.244044 Ca\n0.247443 0.001308 0.251197 Sc\n0.251504 0.499150 0.749481 Sc\n0.745793 0.002135 0.751804 Sc\n0.742835 0.503512 0.253814 Sc\n0.502444 0.500920 0.996593 Co\n0.002621 0.496545 0.501066 Co\n0.502154 0.995962 0.497856 Co\n0.006247 0.000309 0.997857 Co\n0.072982 0.658879 0.628685 O\n0.068644 0.161882 0.130699 O\n0.207560 0.949032 0.480913 O\n0.211720 0.449287 0.979188 O\n0.911357 0.335067 0.380936 O\n0.912350 0.832029 0.879521 O\n0.787316 0.068317 0.520157 O\n0.785404 0.566530 0.021236 O\n0.722865 0.557833 0.484413 O\n0.724348 0.057007 0.984548 O\n0.458321 0.100839 0.674067 O\n0.458090 0.602744 0.174937 O\n0.960140 0.891450 0.198008 O\n0.960518 0.398130 0.690604 O\n0.409240 0.172985 0.366069 O\n0.412009 0.666190 0.874035 O\n0.030933 0.094924 0.801793 O\n0.030105 0.589826 0.309739 O\n0.602853 0.837875 0.631929 O\n0.600734 0.344890 0.124333 O\n0.551755 0.913916 0.309080 O\n0.555369 0.413741 0.807951 O\n0.278111 0.419583 0.526340 O\n0.277723 0.921390 0.025572 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Ca",
"Sc",
"Co",
"O"
],
"chemical_system": "Ca-Co-O-Sc",
"density": 3.753568966615683,
"density_atomic": 0.07909459680763593,
"volume": 531.0097237381106,
"volume_molar": 7.613845955427655,
"formula_full": "Ca10 Sc4 Co4 O24",
"formula_reduced": "Ca5Sc2(CoO6)2",
"formula_anonymous": "A2B2C5D12",
"energy": -311.52043416000004,
"energy_per_atom": -7.417153194285715,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -288.48043416,
"band_gap": 0.6536,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0010214,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.371000Z",
"spacegroup": 1
},
{
"id": "mp-1174949",
"created_at": "2022-09-04T14:39:05.567106Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.190242 0.000000 0.000000\n-0.001153 5.736970 0.000000\n-2.357049 -1.433886 7.195697\nLi Mn Co O\n7 2 3 12\ndirect\n0.494267 0.248692 0.001288 Li\n0.154749 0.413030 0.654339 Li\n0.841983 0.586415 0.343810 Li\n0.500449 0.753413 0.006427 Li\n0.171901 0.913617 0.653640 Li\n0.841582 0.085472 0.343985 Li\n0.332439 0.834138 0.334126 Li\n0.998164 0.000827 0.003367 Mn\n0.002668 0.501256 0.004252 Mn\n0.659936 0.161380 0.655461 Co\n0.330898 0.333511 0.334483 Co\n0.657497 0.665529 0.655092 Co\n0.903656 0.286733 0.143505 O\n0.622485 0.459747 0.828888 O\n0.277432 0.608070 0.499248 O\n0.913216 0.786019 0.148684 O\n0.612762 0.957731 0.836478 O\n0.279628 0.141000 0.501082 O\n0.070409 0.212876 0.849327 O\n0.751716 0.375203 0.500494 O\n0.369362 0.528019 0.162776 O\n0.082799 0.714488 0.856647 O\n0.762570 0.879007 0.519035 O\n0.367432 0.053826 0.163565 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.086270773710319,
"density_atomic": 0.11201293774906376,
"volume": 214.26096379835909,
"volume_molar": 5.376290347362429,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.82877828,
"energy_per_atom": -6.576199095,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.33477828,
"band_gap": 1.0948000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0000609,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.159000Z",
"spacegroup": 1
},
{
"id": "mp-1223531",
"created_at": "2022-09-04T14:39:05.664134Z",
"structure_string": "K1 As4 H3 O12\n1.0\n5.149202 0.006901 1.017211\n0.065165 6.433545 3.198035\n-0.054210 0.032103 7.795633\nK As H O\n1 4 3 12\ndirect\n0.002321 0.995082 0.000793 K\n0.403580 0.879766 0.429289 As\n0.594619 0.124498 0.568965 As\n0.839367 0.685527 0.680211 As\n0.154004 0.324749 0.310552 As\n0.507804 0.659868 0.283602 H\n0.492007 0.338950 0.719202 H\n0.970765 0.494451 0.981989 H\n0.113769 0.709998 0.506518 O\n0.889363 0.283620 0.499462 O\n0.580075 0.630186 0.602435 O\n0.418274 0.368893 0.395421 O\n0.511891 0.813982 0.230728 O\n0.485750 0.185323 0.770560 O\n0.877588 0.462399 0.887296 O\n0.098270 0.534826 0.108077 O\n0.308772 0.961564 0.625946 O\n0.696675 0.033586 0.377535 O\n0.771238 0.887797 0.745866 O\n0.228870 0.110934 0.257553 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"K",
"As",
"H",
"O"
],
"chemical_system": "As-H-K-O",
"density": 3.4346614285022583,
"density_atomic": 0.07749705299541497,
"volume": 258.074329628809,
"volume_molar": 7.770799697836631,
"formula_full": "K1 As4 H3 O12",
"formula_reduced": "KAs4(HO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -121.84984488,
"energy_per_atom": -6.092492244000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -113.60584488,
"band_gap": 2.7809,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016173,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:39.958000Z",
"spacegroup": 1
},
{
"id": "mp-1257987",
"created_at": "2022-09-04T14:39:05.749729Z",
"structure_string": "Ca16 Mg1 Al14 Si9 O56\n1.0\n6.793461 0.028513 -0.072396\n0.025673 7.149068 -0.137868\n0.231994 -0.506266 27.776198\nCa Mg Al Si O\n16 1 14 9 56\ndirect\n0.205476 0.087690 0.164946 Ca\n0.256441 0.315767 0.425373 Ca\n0.323456 0.691826 0.020036 Ca\n0.302580 0.660585 0.778459 Ca\n0.516466 0.058991 0.732123 Ca\n0.209207 0.621942 0.294000 Ca\n0.536187 0.077683 0.972898 Ca\n0.279422 0.581942 0.540605 Ca\n0.759883 0.304657 0.091080 Ca\n0.607565 0.045154 0.341482 Ca\n0.595542 0.795714 0.466739 Ca\n0.705228 0.163178 0.847842 Ca\n0.497144 0.551622 0.657918 Ca\n0.473162 0.623161 0.184152 Ca\n0.497237 0.569716 0.892760 Ca\n0.712978 0.187368 0.603293 Ca\n0.943281 0.943526 0.241466 Mg\n0.016097 0.039719 0.987997 Al\n0.102317 0.636928 0.122214 Al\n0.031872 0.945110 0.505503 Al\n0.002927 0.011389 0.748753 Al\n0.010898 0.531811 0.877273 Al\n0.747240 0.311336 0.478966 Al\n0.809226 0.371626 0.728514 Al\n0.813660 0.396796 0.965774 Al\n0.534719 0.925395 0.110706 Al\n0.214527 0.894783 0.900536 Al\n0.222235 0.804847 0.408108 Al\n0.207731 0.864354 0.659828 Al\n0.911706 0.466078 0.374152 Al\n0.017428 0.494547 0.645849 Al\n0.801643 0.725337 0.040014 Si\n0.928305 0.405456 0.202207 Si\n0.706162 0.636097 0.284208 Si\n0.779791 0.625901 0.561345 Si\n0.759466 0.715882 0.797896 Si\n0.230474 0.235499 0.067188 Si\n0.112020 0.097089 0.342675 Si\n0.251810 0.216663 0.828438 Si\n0.246144 0.183042 0.589155 Si\n0.691610 0.562305 0.006052 O\n0.502977 0.547952 0.263151 O\n0.819012 0.416794 0.536206 O\n0.679140 0.560140 0.757686 O\n0.197229 0.819451 0.209555 O\n0.109650 0.928358 0.302293 O\n0.142952 0.592908 0.376650 O\n0.242346 0.140715 0.010983 O\n0.376116 0.795980 0.705357 O\n0.218746 0.463187 0.067562 O\n0.314023 0.777388 0.109011 O\n0.203307 0.792614 0.472260 O\n0.318803 0.214604 0.345848 O\n0.425800 0.370415 0.822572 O\n0.200702 0.687754 0.862330 O\n0.223449 0.105080 0.775204 O\n0.419055 0.341030 0.586993 O\n0.196826 0.648304 0.625523 O\n0.185038 0.111835 0.534465 O\n0.390036 0.817865 0.943943 O\n0.045341 0.151519 0.095627 O\n0.018584 0.814953 0.173880 O\n0.921244 0.245388 0.339625 O\n0.045119 0.275147 0.614091 O\n0.080897 0.008651 0.396946 O\n0.040809 0.314269 0.844408 O\n0.998383 0.960745 0.687150 O\n0.998658 0.989485 0.925946 O\n0.994027 0.821594 0.016375 O\n0.129473 0.461667 0.169445 O\n0.902369 0.405564 0.434732 O\n0.905697 0.551502 0.252234 O\n0.955839 0.768319 0.545608 O\n0.032259 0.460971 0.707668 O\n0.970988 0.804928 0.782033 O\n0.015371 0.495519 0.938671 O\n0.829773 0.203490 0.004393 O\n0.983537 0.199373 0.220716 O\n0.747221 0.597566 0.340843 O\n0.871450 0.628313 0.089661 O\n0.731756 0.422388 0.169639 O\n0.701638 0.862349 0.275561 O\n0.812804 0.172664 0.765176 O\n0.788263 0.619083 0.851204 O\n0.637277 0.314619 0.922944 O\n0.586981 0.874176 0.803453 O\n0.618653 0.878069 0.047316 O\n0.806671 0.060020 0.486665 O\n0.792935 0.586265 0.620131 O\n0.507279 0.402709 0.468545 O\n0.647167 0.289176 0.681818 O\n0.571046 0.722336 0.547816 O\n0.435968 0.169027 0.095183 O\n0.468640 0.865304 0.397002 O\n0.336826 0.018910 0.622601 O\n0.332584 0.073058 0.868784 O\n",
"nsites": 96,
"nelements": 5,
"elements": [
"Ca",
"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Ca-Mg-O-Si",
"density": 2.699000187683057,
"density_atomic": 0.07118335766532045,
"volume": 1348.629836363702,
"volume_molar": 8.460040320539562,
"formula_full": "Ca16 Mg1 Al14 Si9 O56",
"formula_reduced": "Ca16MgAl14Si9O56",
"formula_anonymous": "AB9C14D16E56",
"energy": -711.90628968,
"energy_per_atom": -7.4156905175,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -685.86628968,
"band_gap": 1.0656,
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"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.403000Z",
"spacegroup": 1
},
{
"id": "mp-1101106",
"created_at": "2022-09-04T14:39:05.735696Z",
"structure_string": "Ti7 Fe9 O24\n1.0\n-7.570071 0.000000 0.000000\n-0.571518 -7.591534 0.000000\n3.493137 3.239244 7.573050\nTi Fe O\n7 9 24\ndirect\n0.714165 0.715488 0.143325 Ti\n0.532112 0.029000 0.358799 Ti\n0.968282 0.470084 0.649959 Ti\n0.776794 0.781818 0.851963 Ti\n0.219546 0.219969 0.143320 Ti\n0.030954 0.530963 0.353559 Ti\n0.280197 0.280323 0.851797 Ti\n0.283545 0.781146 0.850559 Fe\n0.218030 0.716282 0.145358 Fe\n0.469102 0.471106 0.645109 Fe\n0.778591 0.279055 0.852585 Fe\n0.716234 0.218270 0.146622 Fe\n0.473647 0.971946 0.646593 Fe\n0.033116 0.033063 0.356620 Fe\n0.970427 0.967053 0.647148 Fe\n0.528051 0.533919 0.354511 Fe\n0.271547 0.462159 0.757212 O\n0.953643 0.302240 0.411392 O\n0.810448 0.937058 0.093152 O\n0.517518 0.213174 0.258492 O\n0.789606 0.959289 0.390204 O\n0.465132 0.797004 0.107145 O\n0.778900 0.962943 0.759099 O\n0.454997 0.811812 0.406734 O\n0.032665 0.701250 0.889073 O\n0.299263 0.432083 0.082414 O\n0.719206 0.544617 0.606106 O\n0.024222 0.724238 0.261938 O\n0.974607 0.287467 0.744212 O\n0.281210 0.457961 0.393342 O\n0.700325 0.564176 0.917716 O\n0.967720 0.298967 0.106995 O\n0.551312 0.190170 0.585401 O\n0.219476 0.040553 0.250404 O\n0.533309 0.204037 0.896222 O\n0.202236 0.049194 0.596712 O\n0.482710 0.781582 0.748120 O\n0.198835 0.064238 0.915820 O\n0.048671 0.679320 0.581216 O\n0.729648 0.534985 0.243052 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
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"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.661213452099432,
"density_atomic": 0.09190934538769673,
"volume": 435.2114557150847,
"volume_molar": 6.552261616701867,
"formula_full": "Ti7 Fe9 O24",
"formula_reduced": "Ti7(Fe3O8)3",
"formula_anonymous": "A7B9C24",
"energy": -353.42653547,
"energy_per_atom": -8.83566338675,
"energy_above_hull": null,
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"energy_uncorrected": -316.63453547,
"band_gap": 0.3273000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 38.0000863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.979000Z",
"spacegroup": 1
},
{
"id": "mp-1245316",
"created_at": "2022-09-04T14:39:05.765076Z",
"structure_string": "Zn50 S50\n1.0\n13.380230 0.008801 0.345159\n0.004372 13.537010 0.527514\n0.346328 0.524718 13.438789\nZn S\n50 50\ndirect\n0.575071 0.015919 0.608607 Zn\n0.141907 0.544842 0.770166 Zn\n0.924017 0.184154 0.917832 Zn\n0.588798 0.344601 0.895973 Zn\n0.063325 0.117674 0.474432 Zn\n0.567258 0.124976 0.360925 Zn\n0.741471 0.645644 0.460960 Zn\n0.494576 0.782564 0.203021 Zn\n0.470134 0.279442 0.542305 Zn\n0.841877 0.069377 0.140644 Zn\n0.877867 0.417957 0.584286 Zn\n0.531896 0.989853 0.049669 Zn\n0.869830 0.513499 0.263594 Zn\n0.024707 0.005004 0.746442 Zn\n0.419456 0.570752 0.778701 Zn\n0.612118 0.446176 0.109225 Zn\n0.093534 0.904570 0.600970 Zn\n0.084672 0.860670 0.147934 Zn\n0.109247 0.144318 0.044699 Zn\n0.278923 0.703926 0.285481 Zn\n0.066872 0.290270 0.887028 Zn\n0.484127 0.157059 0.747787 Zn\n0.674904 0.390357 0.363835 Zn\n0.729742 0.034272 0.795599 Zn\n0.327954 0.987486 0.861882 Zn\n0.120564 0.753342 0.985538 Zn\n0.664908 0.635080 0.646725 Zn\n0.497385 0.536644 0.278814 Zn\n0.848423 0.119515 0.384565 Zn\n0.308677 0.324185 0.871082 Zn\n0.029030 0.959515 0.306760 Zn\n0.942061 0.823799 0.487414 Zn\n0.151822 0.342852 0.350143 Zn\n0.200118 0.341664 0.170801 Zn\n0.821458 0.340096 0.062049 Zn\n0.321093 0.893894 0.022508 Zn\n0.641175 0.918597 0.319645 Zn\n0.833213 0.522451 0.732520 Zn\n0.363632 0.012689 0.548573 Zn\n0.011513 0.272660 0.246253 Zn\n0.661617 0.475233 0.569561 Zn\n0.728394 0.761750 0.135545 Zn\n0.240824 0.202825 0.663439 Zn\n0.003037 0.675376 0.415106 Zn\n0.029266 0.325965 0.610071 Zn\n0.545005 0.833080 0.769715 Zn\n0.909993 0.823994 0.242273 Zn\n0.947385 0.803104 0.006634 Zn\n0.162473 0.541107 0.493259 Zn\n0.013146 0.734542 0.645945 Zn\n0.503180 0.947344 0.214789 S\n0.324865 0.165067 0.809127 S\n0.559142 0.277260 0.278304 S\n0.786165 0.185089 0.026880 S\n0.171982 0.372927 0.768241 S\n0.086094 0.989950 0.998145 S\n0.850888 0.658607 0.064759 S\n0.707787 0.433608 0.967308 S\n0.886378 0.043007 0.840220 S\n0.153566 0.643062 0.618289 S\n0.910905 0.692555 0.784145 S\n0.569495 0.666078 0.783106 S\n0.201118 0.281611 0.020331 S\n0.578856 0.741037 0.054950 S\n0.887264 0.547475 0.432447 S\n0.728006 0.073160 0.288772 S\n0.588496 0.866980 0.952685 S\n0.270412 0.679783 0.978787 S\n0.394004 0.536672 0.614777 S\n0.604817 0.168704 0.865255 S\n0.688449 0.517651 0.242002 S\n0.500500 0.427165 0.623649 S\n0.080127 0.146725 0.641282 S\n0.937686 0.401240 0.156089 S\n0.329236 0.427292 0.219859 S\n0.229673 0.925820 0.480254 S\n0.439670 0.680903 0.335852 S\n0.743981 0.345885 0.507778 S\n0.530454 0.152538 0.006869 S\n0.972577 0.556871 0.839488 S\n0.268833 0.651856 0.827306 S\n0.143538 0.941874 0.863452 S\n0.496869 0.374800 0.381534 S\n0.006376 0.110541 0.190812 S\n0.931590 0.989935 0.468766 S\n0.176640 0.375326 0.506810 S\n0.523259 0.983006 0.452662 S\n0.742775 0.777703 0.322721 S\n0.440405 0.423173 0.886217 S\n0.176860 0.031600 0.372709 S\n0.444227 0.497548 0.124415 S\n0.250698 0.842259 0.180593 S\n0.140748 0.612407 0.334177 S\n0.415598 0.943991 0.711824 S\n0.686057 0.919138 0.694716 S\n0.949083 0.659154 0.180447 S\n0.334586 0.181150 0.519266 S\n0.955843 0.242527 0.413786 S\n0.595280 0.184014 0.615916 S\n0.832720 0.903561 0.096326 S\n",
"nsites": 100,
"nelements": 2,
"elements": [
"Zn",
"S"
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