HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_magnetic&page=12148",
"results": [
{
"id": "mp-756378",
"created_at": "2022-09-04T14:44:24.619950Z",
"structure_string": "Na8 Co4 O12\n1.0\n10.008365 0.000000 0.000000\n0.000000 4.955846 0.000000\n0.000000 0.456457 6.413418\nNa Co O\n8 4 12\ndirect\n0.729908 0.257199 0.857836 Na\n0.770092 0.257199 0.357836 Na\n0.399989 0.273357 0.885240 Na\n0.100011 0.273357 0.385240 Na\n0.899989 0.726643 0.614760 Na\n0.600011 0.726643 0.114760 Na\n0.229908 0.742801 0.642164 Na\n0.270092 0.742801 0.142164 Na\n0.034684 0.166005 0.841344 Co\n0.465316 0.166005 0.341344 Co\n0.534684 0.833995 0.658656 Co\n0.965316 0.833995 0.158656 Co\n0.549921 0.216305 0.592055 O\n0.950079 0.216305 0.092055 O\n0.916699 0.235662 0.642121 O\n0.583301 0.235662 0.142121 O\n0.187908 0.258093 0.736415 O\n0.312092 0.258093 0.236415 O\n0.687908 0.741907 0.763585 O\n0.812092 0.741907 0.263585 O\n0.416699 0.764338 0.857879 O\n0.083301 0.764338 0.357879 O\n0.049921 0.783695 0.907945 O\n0.450079 0.783695 0.407945 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 3.1928399163837407,
"density_atomic": 0.07544678837387203,
"volume": 318.1049918396717,
"volume_molar": 7.981970988821476,
"formula_full": "Na8 Co4 O12",
"formula_reduced": "Na2CoO3",
"formula_anonymous": "AB2C3",
"energy": -133.03955586,
"energy_per_atom": -5.543314827500001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -118.24355586,
"band_gap": 0.1431,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0001188,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:33.975000Z",
"spacegroup": 14
},
{
"id": "mp-1204652",
"created_at": "2022-09-04T14:44:24.641573Z",
"structure_string": "B12 H120 C36 N18 Cl30\n1.0\n-5.183547 -8.978167 -0.000000\n-5.183547 8.978167 0.000000\n-0.000000 0.000000 -31.329622\nB H C N Cl\n12 120 36 18 30\ndirect\n0.300788 0.612677 0.437486 B\n0.387323 0.688111 0.770820 B\n0.311889 0.699212 0.104153 B\n0.699211 0.311889 0.229180 B\n0.688111 0.387322 0.562514 B\n0.612678 0.300789 0.895847 B\n0.395479 0.716118 0.391540 B\n0.283882 0.679360 0.724874 B\n0.320640 0.604521 0.058207 B\n0.604519 0.320638 0.275127 B\n0.679362 0.283881 0.608461 B\n0.716119 0.395481 0.941794 B\n0.165566 0.920019 0.439944 H\n0.079981 0.245547 0.773278 H\n0.754453 0.834434 0.106611 H\n0.834441 0.754466 0.226723 H\n0.245534 0.079975 0.560057 H\n0.920025 0.165559 0.893390 H\n0.069342 0.824261 0.393903 H\n0.175739 0.245081 0.727237 H\n0.754919 0.930658 0.060570 H\n0.930657 0.754917 0.272763 H\n0.245083 0.175741 0.606097 H\n0.824259 0.069343 0.939430 H\n0.560202 0.821752 0.516972 H\n0.178248 0.738450 0.850306 H\n0.261550 0.439798 0.183639 H\n0.439797 0.261550 0.149694 H\n0.738450 0.178246 0.483028 H\n0.821754 0.560203 0.816361 H\n0.578756 0.857796 0.460174 H\n0.142204 0.720960 0.793508 H\n0.279040 0.421244 0.126841 H\n0.421242 0.279041 0.206492 H\n0.720959 0.142201 0.539826 H\n0.857799 0.578758 0.873159 H\n0.577710 0.697836 0.480423 H\n0.302164 0.879875 0.813757 H\n0.120125 0.422290 0.147090 H\n0.422292 0.120128 0.186244 H\n0.879872 0.302164 0.519578 H\n0.697836 0.577708 0.852911 H\n0.262693 0.531982 0.528045 H\n0.468018 0.730711 0.861379 H\n0.269289 0.737307 0.194712 H\n0.737303 0.269286 0.138621 H\n0.730714 0.468017 0.471955 H\n0.531983 0.262697 0.805288 H\n0.178530 0.640336 0.514857 H\n0.359664 0.538194 0.848191 H\n0.461806 0.821470 0.181524 H\n0.821471 0.461804 0.151808 H\n0.538196 0.359666 0.485142 H\n0.640334 0.178529 0.818475 H\n0.348174 0.721771 0.545497 H\n0.278229 0.626403 0.878831 H\n0.373597 0.651826 0.212164 H\n0.651825 0.373595 0.121169 H\n0.626405 0.278230 0.454503 H\n0.721770 0.348175 0.787836 H\n0.322522 0.454002 0.329779 H\n0.545998 0.868520 0.663113 H\n0.131480 0.677478 0.996446 H\n0.677480 0.131478 0.336887 H\n0.868522 0.546002 0.670221 H\n0.453998 0.322520 0.003554 H\n0.159097 0.461852 0.316434 H\n0.538148 0.697245 0.649768 H\n0.302755 0.840903 0.983101 H\n0.840904 0.302754 0.350231 H\n0.697246 0.538150 0.683565 H\n0.461850 0.159096 0.016898 H\n0.192354 0.428315 0.370926 H\n0.571685 0.764040 0.704260 H\n0.235960 0.807646 0.037593 H\n0.807645 0.235960 0.295739 H\n0.764040 0.571685 0.629073 H\n0.428315 0.192355 0.962407 H\n0.440586 0.713195 0.291269 H\n0.286805 0.727391 0.624603 H\n0.272609 0.559414 0.957936 H\n0.559416 0.272610 0.375398 H\n0.727390 0.286807 0.708732 H\n0.713193 0.440584 0.042065 H\n0.411922 0.852785 0.316621 H\n0.147215 0.559136 0.649955 H\n0.440864 0.588078 0.983288 H\n0.588080 0.440863 0.350046 H\n0.559137 0.147216 0.683380 H\n0.852784 0.411920 0.016713 H\n0.260672 0.697733 0.290006 H\n0.302267 0.562939 0.623340 H\n0.437061 0.739328 0.956673 H\n0.739332 0.437063 0.376660 H\n0.562937 0.302268 0.709994 H\n0.697732 0.260668 0.043327 H\n0.956725 0.910474 0.470081 H\n0.089526 0.046251 0.803415 H\n0.953749 0.043275 0.136748 H\n0.043278 0.953751 0.196587 H\n0.046249 0.089527 0.529921 H\n0.910473 0.956722 0.863254 H\n0.910097 0.727874 0.454120 H\n0.272126 0.182223 0.787454 H\n0.817777 0.089903 0.120787 H\n0.089909 0.817781 0.212547 H\n0.182219 0.272128 0.545881 H\n0.727872 0.910091 0.879214 H\n0.851617 0.832113 0.421632 H\n0.167887 0.019504 0.754966 H\n0.980496 0.148383 0.088299 H\n0.148393 0.980503 0.245035 H\n0.019497 0.167890 0.578369 H\n0.832110 0.851607 0.911702 H\n0.018925 0.036410 0.383052 H\n0.963590 0.982515 0.716386 H\n0.017485 0.981075 0.049719 H\n0.981080 0.017494 0.283616 H\n0.982506 0.963585 0.616950 H\n0.036415 0.018920 0.950283 H\n0.195618 0.059262 0.369128 H\n0.940738 0.136356 0.702462 H\n0.863644 0.804382 0.035795 H\n0.804387 0.863648 0.297539 H\n0.136352 0.940739 0.630873 H\n0.059261 0.195613 0.964206 H\n0.174928 0.136271 0.418423 H\n0.863729 0.038656 0.751757 H\n0.961344 0.825072 0.085090 H\n0.825077 0.961342 0.248244 H\n0.038658 0.863734 0.581578 H\n0.136266 0.174923 0.914911 H\n0.530961 0.771926 0.485070 C\n0.228074 0.759035 0.818404 C\n0.240965 0.469039 0.151737 C\n0.469039 0.240967 0.181596 C\n0.759033 0.228071 0.514930 C\n0.771929 0.530961 0.848263 C\n0.285219 0.645136 0.519483 C\n0.354864 0.640083 0.852817 C\n0.359917 0.714781 0.186150 C\n0.714781 0.359918 0.147183 C\n0.640082 0.354863 0.480517 C\n0.645137 0.285219 0.813850 C\n0.243233 0.488477 0.341300 C\n0.511523 0.754756 0.674634 C\n0.245244 0.756767 0.007967 C\n0.756767 0.245243 0.325366 C\n0.754757 0.511525 0.658700 C\n0.488475 0.243233 0.992033 C\n0.361370 0.734261 0.309421 C\n0.265739 0.627109 0.642755 C\n0.372891 0.638630 0.976088 C\n0.638631 0.372891 0.357245 C\n0.627109 0.265741 0.690579 C\n0.734259 0.361369 0.023912 C\n0.939609 0.838847 0.442425 C\n0.161153 0.100762 0.775759 C\n0.899238 0.060391 0.109092 C\n0.060398 0.899243 0.224242 C\n0.100757 0.161155 0.557576 C\n0.838845 0.939602 0.890909 C\n0.120809 0.043748 0.395810 C\n0.956252 0.077061 0.729144 C\n0.922939 0.879191 0.062477 C\n0.879197 0.922944 0.270858 C\n0.077056 0.956253 0.604192 C\n0.043747 0.120803 0.937525 C\n0.371068 0.687209 0.480547 N\n0.312791 0.683859 0.813881 N\n0.316141 0.628932 0.147214 N\n0.628932 0.316144 0.186119 N\n0.683856 0.312788 0.519453 N\n0.687212 0.371068 0.852786 N\n0.323115 0.647426 0.348255 N\n0.352574 0.675689 0.681589 N\n0.324311 0.676885 0.014922 N\n0.676884 0.324309 0.318411 N\n0.675691 0.352575 0.651745 N\n0.647425 0.323116 0.985078 N\n0.080864 0.901124 0.417853 N\n0.098876 0.179740 0.751187 N\n0.820260 0.919136 0.084520 N\n0.919144 0.820265 0.248816 N\n0.179735 0.098879 0.582150 N\n0.901121 0.080856 0.915483 N\n0.312198 0.433350 0.443009 Cl\n0.566650 0.878847 0.776343 Cl\n0.121153 0.687802 0.109676 Cl\n0.687799 0.121153 0.223656 Cl\n0.878847 0.566646 0.556990 Cl\n0.433354 0.312201 0.890323 Cl\n0.099941 0.559933 0.436143 Cl\n0.440067 0.540007 0.769477 Cl\n0.459993 0.900059 0.102810 Cl\n0.900059 0.459991 0.230524 Cl\n0.540009 0.440068 0.563858 Cl\n0.559932 0.099941 0.897191 Cl\n0.584380 0.725351 0.383113 Cl\n0.274649 0.859029 0.716447 Cl\n0.140971 0.415620 0.049780 Cl\n0.415621 0.140964 0.283554 Cl\n0.859036 0.274657 0.616888 Cl\n0.725343 0.584379 0.950221 Cl\n0.430359 0.911210 0.395509 Cl\n0.088790 0.519149 0.728843 Cl\n0.480851 0.569641 0.062176 Cl\n0.569632 0.480845 0.271160 Cl\n0.519155 0.088788 0.604494 Cl\n0.911212 0.430368 0.937827 Cl\n0.276427 0.999985 0.500002 Cl\n0.000015 0.276442 0.833336 Cl\n0.723558 0.723573 0.166669 Cl\n0.000007 0.718091 0.333340 Cl\n0.281909 0.281915 0.666674 Cl\n0.718085 0.999993 0.000007 Cl\n",
"nsites": 216,
"nelements": 5,
"elements": [
"B",
"H",
"C",
"N",
"Cl"
],
"chemical_system": "B-C-Cl-H-N",
"density": 1.1381889167842298,
"density_atomic": 0.07407196748229888,
"volume": 2916.0829304502804,
"volume_molar": 8.130121238428185,
"formula_full": "B12 H120 C36 N18 Cl30",
"formula_reduced": "B2H20C6N3Cl5",
"formula_anonymous": "A2B3C5D6E20",
"energy": -1109.85747096,
"energy_per_atom": -5.138229032222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1084.93947096,
"band_gap": 0.4334,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0119228,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:40.711000Z",
"spacegroup": 152
},
{
"id": "mp-1102404",
"created_at": "2022-09-04T14:44:24.655454Z",
"structure_string": "Dy4 Mn8\n1.0\n-2.506556 -4.345532 0.000000\n-2.506556 4.345532 0.000000\n0.000000 0.000000 -8.718446\nDy Mn\n4 8\ndirect\n0.666657 0.333343 0.565051 Dy\n0.333343 0.666657 0.434949 Dy\n0.333343 0.666657 0.065051 Dy\n0.666657 0.333343 0.934949 Dy\n0.000000 0.000000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.169397 0.338121 0.750000 Mn\n0.168791 0.831209 0.750000 Mn\n0.661879 0.830603 0.750000 Mn\n0.830603 0.661879 0.250000 Mn\n0.831209 0.168791 0.250000 Mn\n0.338121 0.169397 0.250000 Mn\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Dy",
"Mn"
],
"chemical_system": "Dy-Mn",
"density": 9.525518574036566,
"density_atomic": 0.06318177232590401,
"volume": 189.92819539948388,
"volume_molar": 9.53145272490397,
"formula_full": "Dy4 Mn8",
"formula_reduced": "DyMn2",
"formula_anonymous": "AB2",
"energy": -90.35227572,
"energy_per_atom": -7.52935631,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -90.35227572,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.4655016,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:42.066000Z",
"spacegroup": 194
},
{
"id": "mp-1238930",
"created_at": "2022-09-04T14:44:24.671157Z",
"structure_string": "Co6 B6 P6 H12 O36\n1.0\n3.782542 -6.551555 0.000000\n3.782542 6.551555 0.000000\n0.000000 0.000000 12.724719\nCo B P H O\n6 6 6 12 36\ndirect\n0.000000 0.131530 0.166667 Co\n0.131530 0.000000 0.833333 Co\n0.868470 0.868470 0.500000 Co\n0.242820 0.000000 0.333333 Co\n0.757180 0.757180 0.000000 Co\n0.000000 0.242820 0.666667 Co\n0.563554 0.254007 0.957555 B\n0.690453 0.436446 0.624222 B\n0.745993 0.309547 0.290888 B\n0.436446 0.690453 0.375778 B\n0.254007 0.563554 0.042445 B\n0.309547 0.745993 0.709112 B\n0.248604 0.927612 0.071262 P\n0.679008 0.751396 0.737928 P\n0.072388 0.320992 0.404595 P\n0.751396 0.679008 0.262072 P\n0.927612 0.248604 0.928738 P\n0.320992 0.072388 0.595405 P\n0.300836 0.730737 0.243927 H\n0.429902 0.699164 0.910594 H\n0.269263 0.570098 0.577260 H\n0.699164 0.429902 0.089406 H\n0.730737 0.300836 0.756073 H\n0.570098 0.269263 0.422740 H\n0.643363 0.096269 0.170700 H\n0.452906 0.356637 0.837367 H\n0.903731 0.547094 0.504033 H\n0.356637 0.452906 0.162633 H\n0.096269 0.643363 0.829300 H\n0.547094 0.903731 0.495967 H\n0.342394 0.786210 0.315488 O\n0.443816 0.657606 0.982155 O\n0.213790 0.556184 0.648821 O\n0.657606 0.443816 0.017845 O\n0.786210 0.342394 0.684512 O\n0.556184 0.213790 0.351179 O\n0.761591 0.170728 0.216632 O\n0.409137 0.238409 0.883299 O\n0.829272 0.590863 0.549965 O\n0.238409 0.409137 0.116701 O\n0.170728 0.761591 0.783368 O\n0.590863 0.829272 0.450035 O\n0.215714 0.022796 0.170788 O\n0.807082 0.784286 0.837455 O\n0.977204 0.192918 0.504121 O\n0.784286 0.807082 0.162545 O\n0.022796 0.215714 0.829212 O\n0.192918 0.977204 0.495879 O\n0.470096 0.072211 0.027937 O\n0.602115 0.529904 0.694603 O\n0.927789 0.397885 0.361270 O\n0.529904 0.602115 0.305397 O\n0.072211 0.470096 0.972063 O\n0.397885 0.927789 0.638730 O\n0.243521 0.726764 0.107740 O\n0.483243 0.756479 0.774407 O\n0.273236 0.516757 0.441073 O\n0.756479 0.483243 0.225593 O\n0.726764 0.243521 0.892260 O\n0.516757 0.273236 0.558927 O\n0.086664 0.879758 0.986915 O\n0.793095 0.913336 0.653582 O\n0.120242 0.206905 0.320249 O\n0.913336 0.793095 0.346418 O\n0.879758 0.086664 0.013085 O\n0.206905 0.120242 0.679751 O\n",
"nsites": 66,
"nelements": 5,
"elements": [
"Co",
"B",
"P",
"H",
"O"
],
"chemical_system": "B-Co-H-O-P",
"density": 3.1394816705877,
"density_atomic": 0.1046496039466707,
"volume": 630.676060978057,
"volume_molar": 5.75457577753364,
"formula_full": "Co6 B6 P6 H12 O36",
"formula_reduced": "CoBP(HO3)2",
"formula_anonymous": "ABCD2E6",
"energy": -474.12469282,
"energy_per_atom": -7.183707466969697,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -439.56469282,
"band_gap": 2.8865,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9997712,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:36.573000Z",
"spacegroup": 152
},
{
"id": "mp-1173955",
"created_at": "2022-09-04T14:44:24.687636Z",
"structure_string": "Li6 Mn2 Co2 O10\n1.0\n5.090531 0.000000 0.000000\n-1.745104 5.599298 0.000000\n-0.930686 -1.961098 6.271595\nLi Mn Co O\n6 2 2 10\ndirect\n0.807573 0.600991 0.102795 Li\n0.610086 0.199522 0.689786 Li\n0.000000 0.000000 0.500000 Li\n0.192427 0.399009 0.897205 Li\n0.389914 0.800478 0.310214 Li\n0.000000 0.500000 0.500000 Li\n0.599452 0.700976 0.695363 Mn\n0.400548 0.299024 0.304637 Mn\n0.195975 0.889970 0.888918 Co\n0.804025 0.110030 0.111082 Co\n0.897601 0.577031 0.804519 O\n0.677102 0.153617 0.383241 O\n0.108697 0.970833 0.203973 O\n0.325835 0.365888 0.588283 O\n0.513253 0.759787 0.976443 O\n0.674165 0.634112 0.411717 O\n0.486747 0.240213 0.023557 O\n0.891303 0.029167 0.796027 O\n0.102399 0.422969 0.195481 O\n0.322898 0.846383 0.616759 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9885840121444396,
"density_atomic": 0.11188073794962525,
"volume": 178.7617812192576,
"volume_molar": 5.382643045053469,
"formula_full": "Li6 Mn2 Co2 O10",
"formula_reduced": "Li3MnCoO5",
"formula_anonymous": "ABC3D5",
"energy": -132.6043948,
"energy_per_atom": -6.630219739999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.1223948,
"band_gap": 1.6718000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.387000Z",
"spacegroup": 2
},
{
"id": "mp-1222047",
"created_at": "2022-09-04T14:44:24.647079Z",
"structure_string": "Mg2 Cr2 Fe2 O8\n1.0\n-3.010754 3.018166 4.263827\n3.010754 -3.018166 4.263827\n3.010754 3.018166 -4.263827\nMg Cr Fe O\n2 2 2 8\ndirect\n0.124223 0.874223 0.250000 Mg\n0.875777 0.125777 0.750000 Mg\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.500000 Cr\n0.500000 0.500000 0.500000 Fe\n0.500000 0.000000 0.000000 Fe\n0.260063 0.737590 0.977527 O\n0.260063 0.282535 0.522473 O\n0.258705 0.738823 0.519882 O\n0.718942 0.738823 0.980118 O\n0.739938 0.262410 0.022473 O\n0.739938 0.717465 0.477527 O\n0.741295 0.261177 0.480118 O\n0.281058 0.261177 0.019882 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Mg",
"Cr",
"Fe",
"O"
],
"chemical_system": "Cr-Fe-Mg-O",
"density": 4.203155867628693,
"density_atomic": 0.09033375732118362,
"volume": 154.98082239868202,
"volume_molar": 6.666545197038742,
"formula_full": "Mg2 Cr2 Fe2 O8",
"formula_reduced": "MgCrFeO4",
"formula_anonymous": "ABCD4",
"energy": -112.08814554,
"energy_per_atom": -8.00629611,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.08214554,
"band_gap": 1.7536,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 15.9999923,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:39.706000Z",
"spacegroup": 74
},
{
"id": "mp-1184466",
"created_at": "2022-09-04T14:44:24.654604Z",
"structure_string": "Eu2 In6\n1.0\n3.424690 -5.931738 0.000000\n3.424690 5.931738 0.000000\n0.000000 0.000000 5.319727\nEu In\n2 6\ndirect\n0.333333 0.666667 0.750000 Eu\n0.666667 0.333333 0.250000 Eu\n0.157317 0.314633 0.250000 In\n0.685367 0.842683 0.250000 In\n0.157317 0.842683 0.250000 In\n0.842683 0.685367 0.750000 In\n0.314633 0.157317 0.750000 In\n0.842683 0.157317 0.750000 In\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Eu",
"In"
],
"chemical_system": "Eu-In",
"density": 7.62788341144575,
"density_atomic": 0.03701411924665896,
"volume": 216.1337393087399,
"volume_molar": 16.26984751377971,
"formula_full": "Eu2 In6",
"formula_reduced": "EuIn3",
"formula_anonymous": "AB3",
"energy": -39.91941893,
"energy_per_atom": -4.98992736625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.91941893,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0216166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.367000Z",
"spacegroup": 194
},
{
"id": "mp-775300",
"created_at": "2022-09-04T14:44:24.666646Z",
"structure_string": "Na12 Co4 O12\n1.0\n5.882662 0.000000 0.000000\n0.000000 6.030283 0.000000\n0.000000 6.045113 11.056375\nNa Co O\n12 4 12\ndirect\n0.981826 0.016457 0.120488 Na\n0.481556 0.106683 0.098035 Na\n0.935980 0.544401 0.687405 Na\n0.435980 0.455599 0.812595 Na\n0.981556 0.893317 0.401965 Na\n0.481826 0.983543 0.379512 Na\n0.518174 0.016457 0.620488 Na\n0.018444 0.106683 0.598035 Na\n0.564020 0.544401 0.187405 Na\n0.064020 0.455599 0.312595 Na\n0.518444 0.893317 0.901965 Na\n0.018174 0.983543 0.879512 Na\n0.352032 0.507584 0.585918 Co\n0.852032 0.492416 0.914082 Co\n0.147968 0.507584 0.085918 Co\n0.647968 0.492416 0.414082 Co\n0.738151 0.779463 0.280566 O\n0.682266 0.510169 0.563406 O\n0.741303 0.194476 0.933087 O\n0.241303 0.805524 0.566913 O\n0.182266 0.489831 0.936594 O\n0.238151 0.220537 0.219434 O\n0.761849 0.779463 0.780566 O\n0.817734 0.510169 0.063406 O\n0.758697 0.194476 0.433087 O\n0.258697 0.805524 0.066913 O\n0.317734 0.489831 0.436594 O\n0.261849 0.220537 0.719434 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Co",
"O"
],
"chemical_system": "Co-Na-O",
"density": 2.978875231638932,
"density_atomic": 0.07138939167143046,
"volume": 392.2151365131383,
"volume_molar": 8.435624143874053,
"formula_full": "Na12 Co4 O12",
"formula_reduced": "Na3CoO3",
"formula_anonymous": "AB3C3",
"energy": -146.80166873,
"energy_per_atom": -5.242916740357143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.00566873,
"band_gap": 1.4972000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0000251,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.438000Z",
"spacegroup": 14
},
{
"id": "mp-1199673",
"created_at": "2022-09-04T14:44:24.671130Z",
"structure_string": "Co10 P8 H24 O32 F4\n1.0\n0.000000 0.000000 8.642187\n9.978015 0.000000 0.000000\n0.000000 9.315263 -4.321094\nCo P H O F\n10 8 24 32 4\ndirect\n0.052473 0.419923 0.360830 Co\n0.691643 0.580077 0.639170 Co\n0.552473 0.080077 0.360830 Co\n0.191643 0.919923 0.639170 Co\n0.067590 0.574567 0.647818 Co\n0.419772 0.425433 0.352182 Co\n0.567590 0.925433 0.647818 Co\n0.919772 0.074567 0.352182 Co\n0.047867 0.500000 0.000000 Co\n0.547867 0.000000 0.000000 Co\n0.824698 0.314491 0.540704 P\n0.283994 0.685509 0.459296 P\n0.324698 0.185509 0.540704 P\n0.783994 0.814491 0.459296 P\n0.793827 0.270786 0.072191 P\n0.721636 0.729214 0.927809 P\n0.293827 0.229214 0.072191 P\n0.221636 0.770786 0.927809 P\n0.855096 0.586364 0.156413 H\n0.698684 0.413636 0.843587 H\n0.355096 0.913636 0.156413 H\n0.198684 0.086364 0.843587 H\n0.766561 0.576274 0.269784 H\n0.496777 0.423726 0.730216 H\n0.266561 0.923726 0.269784 H\n0.996777 0.076274 0.730216 H\n0.028909 0.028853 0.161994 H\n0.866915 0.971147 0.838006 H\n0.528909 0.471147 0.161994 H\n0.366915 0.528853 0.838006 H\n0.900479 0.911331 0.141486 H\n0.758993 0.088669 0.858514 H\n0.400479 0.588669 0.141486 H\n0.258993 0.411331 0.858514 H\n0.652010 0.336495 0.077984 H\n0.574026 0.663505 0.922016 H\n0.152010 0.163505 0.077984 H\n0.074026 0.836495 0.922016 H\n0.884368 0.275893 0.685744 H\n0.198625 0.724107 0.314256 H\n0.384368 0.224107 0.685744 H\n0.698625 0.775893 0.314256 H\n0.968722 0.394250 0.526020 O\n0.442702 0.605750 0.473980 O\n0.468722 0.105750 0.526020 O\n0.942702 0.894250 0.473980 O\n0.847100 0.534687 0.238044 O\n0.609056 0.465313 0.761956 O\n0.347100 0.965312 0.238044 O\n0.109056 0.034687 0.761956 O\n0.925557 0.249626 0.230741 O\n0.694815 0.750374 0.769259 O\n0.425557 0.250374 0.230741 O\n0.194815 0.749626 0.769259 O\n0.157001 0.597114 0.490944 O\n0.666058 0.402886 0.509056 O\n0.657001 0.902886 0.490944 O\n0.166058 0.097114 0.509056 O\n0.281504 0.315455 0.449871 O\n0.831634 0.684545 0.550129 O\n0.781504 0.184545 0.449871 O\n0.331634 0.815455 0.550129 O\n0.860735 0.359065 0.984944 O\n0.875792 0.640935 0.015056 O\n0.360735 0.140935 0.984944 O\n0.375792 0.859065 0.015056 O\n0.724889 0.138543 0.992078 O\n0.732811 0.861457 0.007922 O\n0.224889 0.361457 0.992078 O\n0.232811 0.638543 0.007922 O\n0.001283 0.960949 0.217233 O\n0.784051 0.039051 0.782767 O\n0.501283 0.539051 0.217233 O\n0.284051 0.460949 0.782767 O\n0.167475 0.478257 0.223324 F\n0.944151 0.521743 0.776676 F\n0.667475 0.021743 0.223324 F\n0.444151 0.978257 0.776676 F\n",
"nsites": 78,
"nelements": 5,
"elements": [
"Co",
"P",
"H",
"O",
"F"
],
"chemical_system": "Co-F-H-O-P",
"density": 2.9959914314796867,
"density_atomic": 0.09710278138758753,
"volume": 803.2725621798779,
"volume_molar": 6.201821074478305,
"formula_full": "Co10 P8 H24 O32 F4",
"formula_reduced": "Co5P4H12(O8F)2",
"formula_anonymous": "A2B4C5D12E16",
"energy": -488.90578008,
"energy_per_atom": -6.2680228215384615,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -448.69378008,
"band_gap": 2.0431,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 25.9449592,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:26.081000Z",
"spacegroup": 41
},
{
"id": "mp-1178144",
"created_at": "2022-09-04T14:44:24.716440Z",
"structure_string": "K2 Bi2 P2 C2 O14\n1.0\n7.077830 0.000000 0.000000\n0.000000 5.770532 0.000000\n0.000000 0.105245 10.106516\nK Bi P C O\n2 2 2 2 14\ndirect\n0.460461 0.242061 0.772703 K\n0.960461 0.757939 0.227297 K\n0.775514 0.782751 0.635271 Bi\n0.275514 0.217249 0.364729 Bi\n0.265197 0.719742 0.572670 P\n0.765197 0.280258 0.427330 P\n0.733976 0.721126 0.910999 C\n0.233976 0.278874 0.089001 C\n0.221172 0.299365 0.964368 O\n0.741940 0.927472 0.856712 O\n0.739697 0.543163 0.834169 O\n0.095353 0.788932 0.662074 O\n0.443075 0.801303 0.649797 O\n0.749368 0.164249 0.567216 O\n0.272099 0.452722 0.553735 O\n0.772099 0.547278 0.446265 O\n0.249368 0.835751 0.432784 O\n0.943075 0.198697 0.350203 O\n0.595353 0.211068 0.337926 O\n0.239697 0.456837 0.165831 O\n0.241940 0.072528 0.143288 O\n0.721172 0.700635 0.035632 O\n",
"nsites": 22,
"nelements": 5,
"elements": [
"K",
"Bi",
"P",
"C",
"O"
],
"chemical_system": "Bi-C-K-O-P",
"density": 3.2428751324279053,
"density_atomic": 0.05329730287318768,
"volume": 412.7788614809542,
"volume_molar": 11.299147302685675,
"formula_full": "K2 Bi2 P2 C2 O14",
"formula_reduced": "KBiPCO7",
"formula_anonymous": "ABCDE7",
"energy": -154.5117156,
"energy_per_atom": -7.0232598,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -144.8937156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9316423,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.043000Z",
"spacegroup": 4
},
{
"id": "mp-1183824",
"created_at": "2022-09-04T14:44:24.681979Z",
"structure_string": "Ce3 Th1\n1.0\n-2.419424 2.419424 4.756103\n2.419424 -2.419424 4.756103\n2.419424 2.419424 -4.756103\nCe Th\n3 1\ndirect\n0.750000 0.250000 0.500000 Ce\n0.250000 0.750000 0.500000 Ce\n0.500000 0.500000 0.000000 Ce\n0.000000 0.000000 0.000000 Th\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ce",
"Th"
],
"chemical_system": "Ce-Th",
"density": 9.72788792840792,
"density_atomic": 0.03591904488126079,
"volume": 111.36153573189323,
"volume_molar": 16.765871085680764,
"formula_full": "Ce3 Th1",
"formula_reduced": "Ce3Th",
"formula_anonymous": "AB3",
"energy": -25.19722954,
"energy_per_atom": -6.299307385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.19722954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3079579,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.113000Z",
"spacegroup": 139
},
{
"id": "mp-1024044",
"created_at": "2022-09-04T14:44:24.699198Z",
"structure_string": "Mg3 Cr1 O4\n1.0\n4.315079 0.000000 0.000000\n0.000000 4.315079 0.000000\n0.000000 0.000000 4.315079\nMg Cr O\n3 1 4\ndirect\n0.000000 0.500000 0.500000 Mg\n0.500000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.000000 0.000000 Cr\n0.500000 0.000000 0.000000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.000000 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Cr",
"O"
],
"chemical_system": "Cr-Mg-O",
"density": 3.9042246886674636,
"density_atomic": 0.09956890558009374,
"volume": 80.34636871211524,
"volume_molar": 6.048214274240224,
"formula_full": "Mg3 Cr1 O4",
"formula_reduced": "Mg3CrO4",
"formula_anonymous": "AB3C4",
"energy": -55.7327547,
"energy_per_atom": -6.9665943375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.9857547,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999995,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.157000Z",
"spacegroup": 221
}
]
}