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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=110",
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"results": [
{
"id": "mp-1233943",
"created_at": "2022-09-04T14:40:06.986279Z",
"structure_string": "Mg1 V4 Sb2 P6 O24\n1.0\n9.496932 0.519685 0.052043\n5.221191 8.286743 0.165322\n4.982444 3.091362 7.092167\nMg V Sb P O\n1 4 2 6 24\ndirect\n0.606722 0.563940 0.666959 Mg\n0.144322 0.153029 0.158225 V\n0.350444 0.326731 0.338056 V\n0.728372 0.768335 0.696570 V\n0.849944 0.849769 0.853428 V\n0.973252 0.941290 0.017119 Sb\n0.473136 0.471672 0.450858 Sb\n0.067477 0.761826 0.420626 P\n0.440721 0.066444 0.756715 P\n0.748301 0.456266 0.025341 P\n0.226730 0.525546 0.972062 P\n0.538015 0.958497 0.267712 P\n0.967752 0.226174 0.546268 P\n0.124636 0.265928 0.502233 O\n0.304724 0.492417 0.102885 O\n0.154285 0.899908 0.256317 O\n0.529014 0.111235 0.288106 O\n0.996201 0.754299 0.621909 O\n0.228472 0.565256 0.423734 O\n0.280588 0.143926 0.902542 O\n0.431037 0.240750 0.555758 O\n0.127612 0.404760 0.056766 O\n0.564246 0.434427 0.208829 O\n0.073494 0.726303 0.946584 O\n0.395533 0.023386 0.191850 O\n0.635911 0.010019 0.742729 O\n0.905983 0.281768 0.078476 O\n0.377805 0.525817 0.778795 O\n0.746155 0.634860 0.984324 O\n0.549773 0.785149 0.444661 O\n0.735193 0.919284 0.097929 O\n0.785612 0.387948 0.551589 O\n0.006250 0.147110 0.419101 O\n0.436717 0.914736 0.752906 O\n0.937166 0.066660 0.756068 O\n0.718660 0.495939 0.850736 O\n0.911171 0.777169 0.393807 O\n",
"nsites": 37,
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"elements": [
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"V",
"Sb",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sb-V",
"density": 3.2434882483530902,
"density_atomic": 0.0693967907184174,
"volume": 533.1658656973092,
"volume_molar": 8.677837545017436,
"formula_full": "Mg1 V4 Sb2 P6 O24",
"formula_reduced": "MgV4Sb2(PO4)6",
"formula_anonymous": "AB2C4D6E24",
"energy": -289.91570779,
"energy_per_atom": -7.83555967,
"energy_above_hull": null,
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"energy_uncorrected": -266.62770779,
"band_gap": 0.8102999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.523000Z",
"spacegroup": 1
},
{
"id": "mp-1233507",
"created_at": "2022-09-04T14:40:06.983094Z",
"structure_string": "Mg1 Mn6 O4 F8\n1.0\n-5.402561 -0.504012 -0.134209\n0.265586 4.710122 -6.829155\n-0.583048 -4.512091 -3.229717\nMg Mn O F\n1 6 4 8\ndirect\n0.214490 0.082559 0.421704 Mg\n0.577217 0.931501 0.664564 Mn\n0.530332 0.693429 0.172194 Mn\n0.504077 0.328723 0.826897 Mn\n0.909518 0.639386 0.649196 Mn\n0.945031 0.406932 0.141664 Mn\n0.020069 0.000509 0.973802 Mn\n0.746083 0.827656 0.924350 O\n0.668172 0.742079 0.450929 O\n0.666655 0.506525 0.973646 O\n0.355261 0.133927 0.711563 O\n0.747980 0.399449 0.506145 F\n0.866985 0.067624 0.390175 F\n0.798914 0.198932 0.935634 F\n0.199759 0.474869 0.807052 F\n0.299745 0.928965 0.157590 F\n0.176448 0.590234 0.305311 F\n0.261318 0.262852 0.179467 F\n0.178612 0.858844 0.631034 F\n",
"nsites": 19,
"nelements": 4,
"elements": [
"Mg",
"Mn",
"O",
"F"
],
"chemical_system": "F-Mg-Mn-O",
"density": 3.846848864541438,
"density_atomic": 0.0772319821216235,
"volume": 246.01207269391523,
"volume_molar": 7.797470160116368,
"formula_full": "Mg1 Mn6 O4 F8",
"formula_reduced": "MgMn6(OF2)4",
"formula_anonymous": "AB4C6D8",
"energy": -140.87231884,
"energy_per_atom": -7.414332570526315,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -124.42031884,
"band_gap": 0.2573000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0044506,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.445000Z",
"spacegroup": 1
},
{
"id": "mp-761235",
"created_at": "2022-09-04T14:40:07.001510Z",
"structure_string": "Li2 Fe8 B8 O24\n1.0\n5.334759 0.000000 0.000000\n0.057036 9.022294 0.000000\n0.101864 0.116930 10.107460\nLi Fe B O\n2 8 8 24\ndirect\n0.353338 0.993520 0.101941 Li\n0.149197 0.489826 0.840737 Li\n0.844675 0.831503 0.123477 Fe\n0.157782 0.834468 0.371437 Fe\n0.659987 0.670384 0.875742 Fe\n0.352645 0.669822 0.619105 Fe\n0.660862 0.331570 0.367570 Fe\n0.838969 0.168891 0.625955 Fe\n0.336435 0.337824 0.120264 Fe\n0.159279 0.151313 0.869681 Fe\n0.838207 0.832677 0.623384 B\n0.670363 0.668000 0.373974 B\n0.173716 0.822308 0.877774 B\n0.336749 0.667575 0.122369 B\n0.660351 0.337952 0.871092 B\n0.336459 0.328741 0.623041 B\n0.829211 0.166909 0.122793 B\n0.166414 0.172511 0.367011 B\n0.742466 0.970507 0.625630 O\n0.927512 0.802260 0.915646 O\n0.294191 0.950531 0.899211 O\n0.810421 0.789377 0.332966 O\n0.699542 0.711286 0.672122 O\n0.222543 0.796410 0.174340 O\n0.078857 0.804275 0.572072 O\n0.571464 0.687065 0.065446 O\n0.756891 0.528675 0.364837 O\n0.428371 0.696071 0.426539 O\n0.297578 0.695614 0.824198 O\n0.784313 0.471654 0.870733 O\n0.220580 0.535070 0.122650 O\n0.697117 0.295223 0.164446 O\n0.570870 0.303707 0.564721 O\n0.256367 0.470063 0.648570 O\n0.410982 0.328731 0.918636 O\n0.930684 0.198620 0.423626 O\n0.783955 0.214118 0.822421 O\n0.304986 0.295500 0.322456 O\n0.192305 0.208630 0.662200 O\n0.709913 0.037436 0.116350 O\n0.086077 0.181518 0.087086 O\n0.257496 0.033084 0.351826 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"Li",
"Fe",
"B",
"O"
],
"chemical_system": "B-Fe-Li-O",
"density": 3.1781829204615577,
"density_atomic": 0.08633273101812344,
"volume": 486.48988054348854,
"volume_molar": 6.975501283210652,
"formula_full": "Li2 Fe8 B8 O24",
"formula_reduced": "LiFe4(BO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -337.40363406999995,
"energy_per_atom": -8.033419858809523,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -302.86763407,
"band_gap": 1.5443,
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"is_magnetic": true,
"total_magnetization": 38.0000195,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.868000Z",
"spacegroup": 1
},
{
"id": "mp-1217597",
"created_at": "2022-09-04T14:40:07.067487Z",
"structure_string": "Ti4 Fe12 O24\n1.0\n6.040088 0.000000 0.000000\n3.011643 5.263356 0.000000\n0.207390 0.142365 14.770931\nTi Fe O\n4 12 24\ndirect\n0.516908 0.014856 0.985350 Ti\n0.150177 0.162395 0.825407 Ti\n0.507897 0.504043 0.505541 Ti\n0.005972 0.995739 0.505514 Ti\n0.831465 0.322177 0.297487 Fe\n0.172821 0.659638 0.953315 Fe\n0.489342 0.993091 0.627998 Fe\n0.835592 0.343251 0.038609 Fe\n0.177191 0.658443 0.710792 Fe\n0.502053 0.011479 0.377478 Fe\n0.826107 0.338431 0.668216 Fe\n0.154093 0.655908 0.339143 Fe\n0.333566 0.830627 0.165448 Fe\n0.831606 0.832828 0.167297 Fe\n0.660507 0.662320 0.829974 Fe\n0.331950 0.333810 0.166130 Fe\n0.180655 0.657731 0.095637 O\n0.480399 0.998743 0.754057 O\n0.821527 0.319061 0.425506 O\n0.012617 0.496261 0.253774 O\n0.343070 0.863048 0.913983 O\n0.667852 0.167821 0.572878 O\n0.479514 0.508252 0.248529 O\n0.801223 0.830858 0.918444 O\n0.150201 0.141702 0.578807 O\n0.019476 0.977492 0.251960 O\n0.333579 0.300883 0.919398 O\n0.640821 0.663856 0.575162 O\n0.488025 0.008594 0.245050 O\n0.857196 0.341156 0.912974 O\n0.182233 0.678005 0.566989 O\n0.649250 0.166279 0.080259 O\n0.995847 0.486319 0.759670 O\n0.323350 0.823713 0.421005 O\n0.188366 0.157323 0.087885 O\n0.526306 0.513060 0.750207 O\n0.848443 0.855498 0.414861 O\n0.645522 0.689234 0.083130 O\n0.016730 0.016199 0.757714 O\n0.353886 0.353211 0.415088 O\n",
"nsites": 40,
"nelements": 3,
"elements": [
"Ti",
"Fe",
"O"
],
"chemical_system": "Fe-O-Ti",
"density": 4.404651826604809,
"density_atomic": 0.085181662165804,
"volume": 469.5846380896042,
"volume_molar": 7.069761973273134,
"formula_full": "Ti4 Fe12 O24",
"formula_reduced": "Ti(FeO2)3",
"formula_anonymous": "AB3C6",
"energy": -335.88260064,
"energy_per_atom": -8.397065016,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -292.32260064,
"band_gap": 0.6997,
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"is_magnetic": true,
"total_magnetization": 55.9985908,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.825000Z",
"spacegroup": 1
},
{
"id": "mp-1228697",
"created_at": "2022-09-04T14:40:07.109412Z",
"structure_string": "Ba4 Ce1 Eu3 Tl2 Cu4 O18\n1.0\n3.882462 0.000382 -0.000019\n1.941573 1.934266 15.693903\n-0.000763 -7.748122 0.001392\nBa Ce Eu Tl Cu O\n4 1 3 2 4 18\ndirect\n0.584936 0.830239 0.707362 Ba\n0.585014 0.830144 0.207718 Ba\n0.415433 0.169180 0.292312 Ba\n0.415197 0.169771 0.792372 Ba\n0.290225 0.419562 0.354809 Ce\n0.708105 0.583568 0.144598 Eu\n0.708182 0.583548 0.647277 Eu\n0.291349 0.417489 0.854417 Eu\n0.947758 0.000088 0.999866 Tl\n0.052988 0.999919 0.500010 Tl\n0.151258 0.698684 0.424773 Cu\n0.148647 0.700579 0.925209 Cu\n0.850612 0.300990 0.575735 Cu\n0.848903 0.301164 0.074592 Cu\n0.657813 0.685870 0.421543 O\n0.654148 0.689122 0.922242 O\n0.155905 0.687795 0.672716 O\n0.155839 0.687879 0.171409 O\n0.344825 0.312920 0.572651 O\n0.342874 0.312946 0.083834 O\n0.842714 0.315089 0.328641 O\n0.844268 0.311905 0.827846 O\n0.499889 0.999905 0.250342 O\n0.499471 0.000216 0.749754 O\n0.077261 0.865152 0.466331 O\n0.057295 0.865599 0.966230 O\n0.942421 0.134781 0.533523 O\n0.922593 0.134771 0.033913 O\n0.752600 0.494495 0.373741 O\n0.749605 0.500951 0.875294 O\n0.250843 0.497848 0.616618 O\n0.251030 0.497833 0.132321 O\n",
"nsites": 32,
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"elements": [
"Ba",
"Ce",
"Eu",
"Tl",
"Cu",
"O"
],
"chemical_system": "Ba-Ce-Cu-Eu-O-Tl",
"density": 7.3730787502667745,
"density_atomic": 0.06778061049078563,
"volume": 472.1114160568119,
"volume_molar": 8.884754380928266,
"formula_full": "Ba4 Ce1 Eu3 Tl2 Cu4 O18",
"formula_reduced": "Ba4CeEu3Tl2(Cu2O9)2",
"formula_anonymous": "AB2C3D4E4F18",
"energy": -227.8073588,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.274000Z",
"spacegroup": 1
},
{
"id": "mp-1351349",
"created_at": "2022-09-04T14:40:07.255787Z",
"structure_string": "Bi16 O32\n1.0\n6.166278 0.000000 0.000000\n-2.137920 5.791674 0.000000\n-2.716292 -2.394739 21.978295\nBi O\n16 32\ndirect\n0.771421 0.361239 0.124584 Bi\n0.454374 0.308913 0.263232 Bi\n0.263714 0.853944 0.124441 Bi\n0.685506 0.315413 0.502908 Bi\n0.110827 0.273105 0.383675 Bi\n0.849489 0.893016 0.243876 Bi\n0.314987 0.926737 0.746249 Bi\n0.607485 0.772399 0.382557 Bi\n0.753636 0.867650 0.625623 Bi\n0.179072 0.825475 0.504769 Bi\n0.252902 0.370618 0.624767 Bi\n0.875283 0.994905 0.872818 Bi\n0.375431 0.500195 0.872980 Bi\n0.825893 0.424332 0.745805 Bi\n0.039191 0.454920 0.992028 Bi\n0.482845 0.000476 0.980731 Bi\n0.364697 0.692252 0.047402 O\n0.128401 0.541578 0.168915 O\n0.856494 0.183538 0.047339 O\n0.915206 0.647583 0.062464 O\n0.623017 0.058713 0.180572 O\n0.753656 0.624836 0.315660 O\n0.654284 0.556225 0.185503 O\n0.488830 0.453095 0.428641 O\n0.188829 0.062753 0.314538 O\n0.413802 0.164154 0.077473 O\n0.288224 0.539789 0.321912 O\n0.129167 0.031868 0.185490 O\n0.353533 0.181089 0.546771 O\n0.961330 0.959779 0.436025 O\n0.021100 0.482069 0.452117 O\n0.118530 0.035567 0.672960 O\n0.875961 0.690734 0.554838 O\n0.731938 0.084623 0.331514 O\n0.871164 0.181025 0.581709 O\n0.466742 0.941692 0.447388 O\n0.642985 0.546296 0.670393 O\n0.995725 0.787312 0.788282 O\n0.632514 0.049968 0.697308 O\n0.660476 0.776820 0.939201 O\n0.495354 0.291490 0.784276 O\n0.394963 0.707529 0.576009 O\n0.496409 0.829924 0.822336 O\n0.148313 0.566038 0.700462 O\n0.206832 0.247414 0.947703 O\n0.164566 0.683371 0.924215 O\n0.009041 0.300548 0.814335 O\n0.742050 0.260428 0.924828 O\n",
"nsites": 48,
"nelements": 2,
"elements": [
"Bi",
"O"
],
"chemical_system": "Bi-O",
"density": 8.156943067448976,
"density_atomic": 0.06115331863554138,
"volume": 784.9124310990888,
"volume_molar": 9.847610717401071,
"formula_full": "Bi16 O32",
"formula_reduced": "BiO2",
"formula_anonymous": "AB2",
"energy": -286.52294137,
"energy_per_atom": -5.969227945208334,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -264.53894137,
"band_gap": 0.0301,
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"updated_at": "2021-11-28T01:34:45.940000Z",
"spacegroup": 1
},
{
"id": "mp-743863",
"created_at": "2022-09-04T14:40:07.386151Z",
"structure_string": "Ca5 La7 Mn7 Ru5 O36\n1.0\n5.560800 -0.008048 -0.013144\n-0.007993 5.653855 0.007999\n0.014418 0.037836 23.698521\nCa La Mn Ru O\n5 7 7 5 36\ndirect\n0.010402 0.050102 0.085753 Ca\n0.483822 0.556609 0.085603 Ca\n0.516563 0.444091 0.249034 Ca\n0.987683 0.949685 0.249521 Ca\n0.992025 0.957739 0.579223 Ca\n0.008346 0.038983 0.417535 La\n0.005639 0.036651 0.750414 La\n0.488728 0.542010 0.415620 La\n0.487587 0.541826 0.751653 La\n0.513408 0.456161 0.579687 La\n0.511872 0.459045 0.918265 La\n0.991944 0.961419 0.917732 La\n0.998667 0.499433 0.834178 Mn\n0.501070 0.999203 0.500282 Mn\n0.498668 0.000390 0.833971 Mn\n0.496919 0.000800 0.004347 Mn\n0.501429 0.999144 0.330014 Mn\n0.499966 0.000175 0.664281 Mn\n0.001188 0.501009 0.500328 Mn\n0.999943 0.502265 0.004678 Ru\n0.000990 0.500433 0.167033 Ru\n0.999562 0.499508 0.664429 Ru\n0.501638 0.999630 0.167306 Ru\n0.000541 0.497902 0.329315 Ru\n0.095703 0.526719 0.248837 O\n0.091586 0.536016 0.585785 O\n0.089180 0.523385 0.921752 O\n0.205806 0.792826 0.149707 O\n0.221959 0.782390 0.484078 O\n0.218018 0.783370 0.819124 O\n0.200479 0.781871 0.348860 O\n0.187672 0.797524 0.017592 O\n0.204939 0.780070 0.684881 O\n0.293843 0.311037 0.016256 O\n0.281355 0.295304 0.349010 O\n0.286404 0.297462 0.682552 O\n0.295796 0.291646 0.149252 O\n0.284502 0.287799 0.485567 O\n0.277216 0.282559 0.819501 O\n0.412161 0.023530 0.583321 O\n0.401363 0.032872 0.248200 O\n0.421399 0.016474 0.918096 O\n0.600167 0.965615 0.086998 O\n0.576726 0.985724 0.414049 O\n0.578699 0.984063 0.748974 O\n0.703784 0.707356 0.184580 O\n0.718234 0.714017 0.512431 O\n0.718958 0.716106 0.847570 O\n0.707846 0.692751 0.316899 O\n0.709408 0.694149 0.652306 O\n0.718973 0.706425 0.983975 O\n0.806436 0.206360 0.316036 O\n0.809951 0.207215 0.649081 O\n0.797751 0.221229 0.984259 O\n0.795222 0.206155 0.183953 O\n0.779073 0.216569 0.848312 O\n0.785030 0.215481 0.514189 O\n0.900675 0.469734 0.084825 O\n0.914427 0.478777 0.412091 O\n0.910658 0.475202 0.746898 O\n",
"nsites": 60,
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"elements": [
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"La",
"Mn",
"Ru",
"O"
],
"chemical_system": "Ca-La-Mn-O-Ru",
"density": 5.880638738455507,
"density_atomic": 0.0805284442381178,
"volume": 745.0783455170646,
"volume_molar": 7.47827778988613,
"formula_full": "Ca5 La7 Mn7 Ru5 O36",
"formula_reduced": "Ca5La7Mn7Ru5O36",
"formula_anonymous": "A5B5C7D7E36",
"energy": -493.07989157,
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"energy_above_hull": null,
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