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{
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"results": [
{
"id": "mp-769374",
"created_at": "2022-09-04T14:43:46.229033Z",
"structure_string": "Li8 B20 Sb4 O40\n1.0\n16.310320 0.000000 0.000000\n0.000000 6.955512 0.000000\n0.000000 0.691984 7.073988\nLi B Sb O\n8 20 4 40\ndirect\n0.843057 0.968049 0.105942 Li\n0.656943 0.468049 0.105942 Li\n0.091240 0.415658 0.323652 Li\n0.408760 0.915658 0.323652 Li\n0.591240 0.084342 0.676348 Li\n0.908760 0.584342 0.676348 Li\n0.343057 0.531951 0.894058 Li\n0.156943 0.031951 0.894058 Li\n0.974920 0.103624 0.197703 B\n0.525080 0.603624 0.197703 B\n0.236037 0.523235 0.225101 B\n0.263963 0.023235 0.225101 B\n0.483281 0.263814 0.259926 B\n0.016719 0.763814 0.259926 B\n0.384467 0.524988 0.317211 B\n0.115533 0.024988 0.317211 B\n0.727018 0.424794 0.452870 B\n0.772982 0.924794 0.452870 B\n0.227018 0.075206 0.547130 B\n0.272982 0.575206 0.547130 B\n0.884467 0.975012 0.682789 B\n0.615533 0.475012 0.682789 B\n0.983281 0.236186 0.740074 B\n0.516719 0.736186 0.740074 B\n0.736037 0.976765 0.774899 B\n0.763963 0.476765 0.774899 B\n0.474920 0.396376 0.802297 B\n0.025080 0.896376 0.802297 B\n0.866986 0.490668 0.168352 Sb\n0.633014 0.990668 0.168352 Sb\n0.366986 0.009332 0.831648 Sb\n0.133014 0.509332 0.831648 Sb\n0.170327 0.511923 0.108090 O\n0.329673 0.011923 0.108090 O\n0.905960 0.216187 0.156138 O\n0.594040 0.716187 0.156138 O\n0.183690 0.038493 0.168389 O\n0.538632 0.407295 0.175690 O\n0.316310 0.538493 0.168389 O\n0.961368 0.907295 0.175690 O\n0.500297 0.074185 0.254996 O\n0.999703 0.574185 0.254996 O\n0.750322 0.382071 0.275396 O\n0.049577 0.165574 0.251465 O\n0.749678 0.882071 0.275396 O\n0.450423 0.665574 0.251465 O\n0.414546 0.328532 0.345137 O\n0.085454 0.828532 0.345137 O\n0.214791 0.514627 0.418711 O\n0.285209 0.014627 0.418711 O\n0.647230 0.407109 0.507640 O\n0.147230 0.092891 0.492360 O\n0.852770 0.907109 0.507640 O\n0.352770 0.592891 0.492360 O\n0.714791 0.985373 0.581289 O\n0.785209 0.485373 0.581289 O\n0.914546 0.171468 0.654863 O\n0.585454 0.671468 0.654863 O\n0.549577 0.334426 0.748535 O\n0.250322 0.117929 0.724604 O\n0.950423 0.834426 0.748535 O\n0.249678 0.617929 0.724604 O\n0.000297 0.425815 0.745004 O\n0.499703 0.925815 0.745004 O\n0.038632 0.092705 0.824310 O\n0.683690 0.461507 0.831611 O\n0.461368 0.592705 0.824310 O\n0.816310 0.961507 0.831611 O\n0.405960 0.283813 0.843862 O\n0.094040 0.783813 0.843862 O\n0.670327 0.988077 0.891910 O\n0.829673 0.488077 0.891910 O\n",
"nsites": 72,
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"elements": [
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"B",
"Sb",
"O"
],
"chemical_system": "B-Li-O-Sb",
"density": 2.8942606435451257,
"density_atomic": 0.08971738190472286,
"volume": 802.5200743871663,
"volume_molar": 6.712345625951648,
"formula_full": "Li8 B20 Sb4 O40",
"formula_reduced": "Li2B5SbO10",
"formula_anonymous": "AB2C5D10",
"energy": -551.96600897,
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"updated_at": "2021-11-28T01:36:21.814000Z",
"spacegroup": 14
},
{
"id": "mp-1227579",
"created_at": "2022-09-04T14:43:46.426681Z",
"structure_string": "Ca20 Cd3 Ga9\n1.0\n8.102724 0.000000 0.000000\n0.000000 8.102724 0.000000\n0.000000 0.000000 14.738623\nCa Cd Ga\n20 3 9\ndirect\n0.680662 0.166141 0.106037 Ca\n0.171163 0.671567 0.609406 Ca\n0.319338 0.833859 0.106037 Ca\n0.828837 0.328433 0.609406 Ca\n0.833859 0.680662 0.106037 Ca\n0.328433 0.171163 0.609406 Ca\n0.166141 0.319338 0.106037 Ca\n0.671567 0.828837 0.609406 Ca\n0.833859 0.319338 0.893963 Ca\n0.328433 0.828837 0.390594 Ca\n0.166141 0.680662 0.893963 Ca\n0.671567 0.171163 0.390594 Ca\n0.680662 0.833859 0.893963 Ca\n0.171163 0.328433 0.390594 Ca\n0.319338 0.166141 0.893963 Ca\n0.828837 0.671567 0.390594 Ca\n0.500000 0.500000 0.753494 Ca\n0.000000 0.000000 0.247242 Ca\n0.000000 0.000000 0.752758 Ca\n0.500000 0.500000 0.246506 Ca\n0.500000 0.500000 0.500000 Cd\n0.500000 0.500000 0.000000 Cd\n0.000000 0.000000 0.500000 Cd\n0.612820 0.115011 0.751234 Ga\n0.115011 0.612820 0.248766 Ga\n0.884989 0.387180 0.248766 Ga\n0.387180 0.884989 0.751234 Ga\n0.884989 0.612820 0.751234 Ga\n0.387180 0.115011 0.248766 Ga\n0.115011 0.387180 0.751234 Ga\n0.612820 0.884989 0.248766 Ga\n0.000000 0.000000 0.000000 Ga\n",
"nsites": 32,
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"elements": [
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"Cd",
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],
"chemical_system": "Ca-Cd-Ga",
"density": 3.031060216396136,
"density_atomic": 0.0330697549118163,
"volume": 967.6515621398191,
"volume_molar": 18.210418480749617,
"formula_full": "Ca20 Cd3 Ga9",
"formula_reduced": "Ca20(CdGa3)3",
"formula_anonymous": "A3B9C20",
"energy": -81.71113996,
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"updated_at": "2021-11-28T01:36:21.324000Z",
"spacegroup": 89
},
{
"id": "mp-675010",
"created_at": "2022-09-04T14:43:46.761055Z",
"structure_string": "Cs2 Hg2 Cl6\n1.0\n6.430336 0.000000 0.000000\n0.000000 6.430336 0.000000\n0.000000 0.000000 8.835192\nCs Hg Cl\n2 2 6\ndirect\n0.000000 0.000000 0.000000 Cs\n0.500000 0.500000 0.000000 Cs\n0.000000 0.500000 0.380052 Hg\n0.500000 0.000000 0.619948 Hg\n0.000000 0.500000 0.060292 Cl\n0.262804 0.762804 0.374735 Cl\n0.237196 0.262804 0.625265 Cl\n0.762804 0.737196 0.625265 Cl\n0.737196 0.237196 0.374735 Cl\n0.500000 0.000000 0.939708 Cl\n",
"nsites": 10,
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"elements": [
"Cs",
"Hg",
"Cl"
],
"chemical_system": "Cl-Cs-Hg",
"density": 3.9985705270798,
"density_atomic": 0.027372639355095117,
"volume": 365.32830722948205,
"volume_molar": 22.000584897484668,
"formula_full": "Cs2 Hg2 Cl6",
"formula_reduced": "CsHgCl3",
"formula_anonymous": "ABC3",
"energy": -28.26351826,
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"updated_at": "2021-11-28T01:36:14.635000Z",
"spacegroup": 113
},
{
"id": "mp-1093863",
"created_at": "2022-09-04T14:43:56.976133Z",
"structure_string": "Hf2 Tc1 Ni1\n1.0\n-4.671267 5.559272 7.878087\n4.671267 -5.559272 7.878087\n4.671267 5.559272 -7.878087\nHf Tc Ni\n2 1 1\ndirect\n0.000000 0.258271 0.258271 Hf\n0.000000 0.741729 0.741729 Hf\n0.000000 0.500000 0.500000 Tc\n0.000000 0.000000 0.000000 Ni\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Hf-Ni-Tc",
"density": 1.0423241391039026,
"density_atomic": 0.0048879484009868735,
"volume": 818.3392441688629,
"volume_molar": 123.20385294542255,
"formula_full": "Hf2 Tc1 Ni1",
"formula_reduced": "Hf2TcNi",
"formula_anonymous": "ABC2",
"energy": -22.96356692,
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"updated_at": "2021-11-28T01:36:33.888000Z",
"spacegroup": 71
},
{
"id": "mp-31203",
"created_at": "2022-09-04T14:43:46.230127Z",
"structure_string": "Pr1 Si2 Ag2\n1.0\n-2.135436 2.135436 5.378063\n2.135436 -2.135436 5.378063\n2.135436 2.135436 -5.378063\nPr Si Ag\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Pr\n0.608728 0.608728 0.000000 Si\n0.391272 0.391272 0.000000 Si\n0.750000 0.250000 0.500000 Ag\n0.250000 0.750000 0.500000 Ag\n",
"nsites": 5,
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"elements": [
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"Si",
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],
"chemical_system": "Ag-Pr-Si",
"density": 6.987882967814584,
"density_atomic": 0.05096957446334457,
"volume": 98.09773875188648,
"volume_molar": 11.815167820031343,
"formula_full": "Pr1 Si2 Ag2",
"formula_reduced": "Pr(SiAg)2",
"formula_anonymous": "AB2C2",
"energy": -23.3517182,
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"updated_at": "2021-11-28T01:36:14.531000Z",
"spacegroup": 139
},
{
"id": "mp-720571",
"created_at": "2022-09-04T14:43:46.357967Z",
"structure_string": "Ca6 H48 Cl12 O24\n1.0\n10.266390 0.000000 0.000000\n0.000000 9.039074 0.000000\n0.000000 5.494206 11.673526\nCa H Cl O\n6 48 12 24\ndirect\n0.500000 0.000000 0.500000 Ca\n0.000000 0.000000 0.000000 Ca\n0.547431 0.260694 0.863057 Ca\n0.047431 0.739306 0.636943 Ca\n0.452569 0.739306 0.136943 Ca\n0.952569 0.260694 0.363057 Ca\n0.342238 0.160521 0.726028 H\n0.842238 0.839479 0.773972 H\n0.657762 0.839479 0.273972 H\n0.157762 0.160521 0.226028 H\n0.314853 0.054354 0.857058 H\n0.814853 0.945646 0.642942 H\n0.685147 0.945646 0.142942 H\n0.185147 0.054354 0.357058 H\n0.522008 0.546732 0.615654 H\n0.022008 0.453268 0.884346 H\n0.477992 0.453268 0.384346 H\n0.977992 0.546732 0.115654 H\n0.448736 0.392715 0.620332 H\n0.948736 0.607285 0.879668 H\n0.551264 0.607285 0.379668 H\n0.051264 0.392715 0.120332 H\n0.433554 0.562130 0.884549 H\n0.933554 0.437870 0.615451 H\n0.566446 0.437870 0.115451 H\n0.066446 0.562130 0.384549 H\n0.325103 0.427710 0.939815 H\n0.825103 0.572290 0.560185 H\n0.674897 0.572290 0.060185 H\n0.174897 0.427710 0.439815 H\n0.678207 0.191343 0.668706 H\n0.178207 0.808657 0.831294 H\n0.321793 0.808657 0.331294 H\n0.821793 0.191343 0.168706 H\n0.788751 0.191450 0.751104 H\n0.288751 0.808550 0.748896 H\n0.211249 0.808550 0.248896 H\n0.711249 0.191450 0.251104 H\n0.648773 0.613271 0.786899 H\n0.148773 0.386729 0.713101 H\n0.351227 0.386729 0.213101 H\n0.851227 0.613271 0.286899 H\n0.777068 0.506830 0.814101 H\n0.277068 0.493170 0.685899 H\n0.222932 0.493170 0.185899 H\n0.722932 0.506830 0.314101 H\n0.457709 0.111438 0.118588 H\n0.957709 0.888562 0.381412 H\n0.542291 0.888562 0.881412 H\n0.042291 0.111438 0.618588 H\n0.340078 0.114105 0.043470 H\n0.840078 0.885895 0.456530 H\n0.659922 0.885895 0.956530 H\n0.159922 0.114105 0.543470 H\n0.502577 0.824528 0.737490 Cl\n0.002577 0.175472 0.762510 Cl\n0.497423 0.175472 0.262510 Cl\n0.997423 0.824528 0.237490 Cl\n0.640744 0.752165 0.471623 Cl\n0.140744 0.247835 0.028377 Cl\n0.359256 0.247835 0.528377 Cl\n0.859256 0.752165 0.971623 Cl\n0.725182 0.153645 0.512505 Cl\n0.225182 0.846355 0.987495 Cl\n0.274818 0.846355 0.487495 Cl\n0.774818 0.153645 0.012505 Cl\n0.359644 0.154068 0.802697 O\n0.859644 0.845932 0.697303 O\n0.640356 0.845932 0.197303 O\n0.140356 0.154068 0.302697 O\n0.467239 0.454385 0.665683 O\n0.967239 0.545615 0.834317 O\n0.532761 0.545615 0.334317 O\n0.032761 0.454385 0.165683 O\n0.415576 0.445736 0.912924 O\n0.915576 0.554264 0.587076 O\n0.584424 0.554264 0.087076 O\n0.084424 0.445736 0.412924 O\n0.693359 0.200549 0.740846 O\n0.193359 0.799451 0.759154 O\n0.306641 0.799451 0.259154 O\n0.806641 0.200549 0.240846 O\n0.681331 0.500868 0.816500 O\n0.181331 0.499132 0.683500 O\n0.318669 0.499132 0.183500 O\n0.818669 0.500868 0.316500 O\n0.433883 0.089372 0.051980 O\n0.933883 0.910628 0.448020 O\n0.566117 0.910628 0.948020 O\n0.066117 0.089372 0.551980 O\n",
"nsites": 90,
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"O"
],
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"density": 1.683506307533946,
"density_atomic": 0.08308043359326533,
"volume": 1083.2875577011382,
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"formula_full": "Ca6 H48 Cl12 O24",
"formula_reduced": "CaH8(ClO2)2",
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"energy": -456.91221601,
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"spacegroup": 14
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{
"id": "mp-1187137",
"created_at": "2022-09-04T14:43:47.103230Z",
"structure_string": "Sr3 Pb1\n1.0\n5.410901 0.000000 0.000000\n0.000000 5.410901 0.000000\n0.000000 0.000000 5.410901\nSr Pb\n3 1\ndirect\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.500000 0.500000 0.000000 Sr\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 4,
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"formula_full": "Sr3 Pb1",
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{
"id": "mp-1183313",
"created_at": "2022-09-04T14:43:48.239739Z",
"structure_string": "Ba2 Tl1 Hg1\n1.0\n0.000000 4.258466 4.258466\n4.258466 0.000000 4.258466\n4.258466 4.258466 0.000000\nBa Tl Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ba\n0.250000 0.250000 0.250000 Ba\n0.000000 0.000000 0.000000 Tl\n0.500000 0.500000 0.500000 Hg\n",
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{
"id": "mp-568031",
"created_at": "2022-09-04T14:43:46.222153Z",
"structure_string": "Ga8 Hg16 Sb8 Cl32\n1.0\n8.980961 0.000000 0.000000\n0.000000 12.505657 0.000000\n0.000000 0.000000 18.039820\nGa Hg Sb Cl\n8 16 8 32\ndirect\n0.331639 0.989580 0.622579 Ga\n0.337752 0.210002 0.865542 Ga\n0.168361 0.989580 0.122579 Ga\n0.662248 0.710002 0.134458 Ga\n0.831639 0.489580 0.877421 Ga\n0.668361 0.489580 0.377421 Ga\n0.837752 0.710002 0.634458 Ga\n0.162248 0.210002 0.365542 Ga\n0.918388 0.833230 0.375705 Hg\n0.581612 0.833230 0.875705 Hg\n0.755099 0.101050 0.492492 Hg\n0.703350 0.096495 0.243358 Hg\n0.203350 0.596495 0.256642 Hg\n0.255099 0.601050 0.007508 Hg\n0.419270 0.863101 0.378835 Hg\n0.796650 0.096495 0.743358 Hg\n0.080730 0.863101 0.878835 Hg\n0.919270 0.363101 0.121165 Hg\n0.081612 0.333230 0.624295 Hg\n0.418388 0.333230 0.124295 Hg\n0.580730 0.363101 0.621165 Hg\n0.744901 0.101050 0.992492 Hg\n0.296650 0.596495 0.756642 Hg\n0.244901 0.601050 0.507508 Hg\n0.184671 0.475537 0.129070 Sb\n0.816701 0.221774 0.617787 Sb\n0.316701 0.721774 0.882213 Sb\n0.684671 0.975537 0.370930 Sb\n0.183299 0.721774 0.382213 Sb\n0.315329 0.475537 0.629070 Sb\n0.815329 0.975537 0.870930 Sb\n0.683299 0.221774 0.117787 Sb\n0.925422 0.630883 0.935676 Cl\n0.639399 0.693205 0.704327 Cl\n0.092324 0.015558 0.634118 Cl\n0.592324 0.515558 0.865882 Cl\n0.622624 0.344526 0.443961 Cl\n0.056710 0.970844 0.230253 Cl\n0.139399 0.193205 0.795673 Cl\n0.615543 0.560984 0.072701 Cl\n0.877376 0.344526 0.943961 Cl\n0.306727 0.340666 0.946496 Cl\n0.556710 0.470844 0.269747 Cl\n0.468378 0.749744 0.205308 Cl\n0.031622 0.749744 0.705308 Cl\n0.407676 0.015558 0.134118 Cl\n0.193273 0.340666 0.446496 Cl\n0.860601 0.693205 0.204327 Cl\n0.425422 0.130883 0.564324 Cl\n0.907676 0.515558 0.365882 Cl\n0.531622 0.249744 0.794692 Cl\n0.806727 0.840666 0.553504 Cl\n0.115543 0.060984 0.427299 Cl\n0.122624 0.844526 0.056039 Cl\n0.884457 0.560984 0.572701 Cl\n0.968378 0.249744 0.294692 Cl\n0.943290 0.470844 0.769747 Cl\n0.074578 0.130883 0.064324 Cl\n0.384457 0.060984 0.927299 Cl\n0.360601 0.193205 0.295673 Cl\n0.574578 0.630883 0.435676 Cl\n0.377376 0.844526 0.556039 Cl\n0.693273 0.840666 0.053504 Cl\n0.443290 0.970844 0.730253 Cl\n",
"nsites": 64,
"nelements": 4,
"elements": [
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"Hg",
"Sb",
"Cl"
],
"chemical_system": "Cl-Ga-Hg-Sb",
"density": 4.815646276086195,
"density_atomic": 0.03158773244560574,
"volume": 2026.1030167394376,
"volume_molar": 19.06480868916489,
"formula_full": "Ga8 Hg16 Sb8 Cl32",
"formula_reduced": "GaHg2SbCl4",
"formula_anonymous": "ABC2D4",
"energy": -190.59853165,
"energy_per_atom": -2.97810205703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -169.41453165,
"band_gap": 0.8072,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002799,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.501000Z",
"spacegroup": 33
},
{
"id": "mp-29764",
"created_at": "2022-09-04T14:43:46.235995Z",
"structure_string": "Rb2 H2 F4\n1.0\n-2.986194 2.986194 3.672563\n2.986194 -2.986194 3.672563\n2.986194 2.986194 -3.672563\nRb H F\n2 2 4\ndirect\n0.750000 0.750000 0.000000 Rb\n0.250000 0.250000 0.000000 Rb\n0.500000 0.000000 0.500000 H\n0.000000 0.500000 0.500000 H\n0.363553 0.863553 0.227105 F\n0.863553 0.636447 0.500000 F\n0.636447 0.136447 0.772895 F\n0.136447 0.363553 0.500000 F\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Rb",
"H",
"F"
],
"chemical_system": "F-H-Rb",
"density": 3.1556395062670344,
"density_atomic": 0.061069547786239416,
"volume": 130.99818633015343,
"volume_molar": 9.861118967311146,
"formula_full": "Rb2 H2 F4",
"formula_reduced": "RbHF2",
"formula_anonymous": "ABC2",
"energy": -36.28939134,
"energy_per_atom": -4.5361739175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.44139134,
"band_gap": 6.6961,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.191000Z",
"spacegroup": 140
},
{
"id": "mp-30993",
"created_at": "2022-09-04T14:43:46.358552Z",
"structure_string": "La2 I2 O2\n1.0\n4.165956 0.000000 0.000000\n0.000000 4.165956 0.000000\n0.000000 0.000000 9.748823\nLa I O\n2 2 2\ndirect\n0.000000 0.500000 0.877971 La\n0.500000 0.000000 0.122029 La\n0.500000 0.000000 0.681855 I\n0.000000 0.500000 0.318145 I\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n",
"nsites": 6,
"nelements": 3,
"elements": [
"La",
"I",
"O"
],
"chemical_system": "I-La-O",
"density": 5.53162757812746,
"density_atomic": 0.03546252929611219,
"volume": 169.19266953295937,
"volume_molar": 16.981701191460743,
"formula_full": "La2 I2 O2",
"formula_reduced": "LaIO",
"formula_anonymous": "ABC",
"energy": -41.83317311,
"energy_per_atom": -6.972195518333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.70117311,
"band_gap": 3.2887000000000004,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.792000Z",
"spacegroup": 129
},
{
"id": "mp-1369597",
"created_at": "2022-09-04T14:43:46.529558Z",
"structure_string": "Li2 Cr1 Si7 O16\n1.0\n7.312665 0.000000 0.000000\n-1.873187 7.403394 0.000000\n-1.854643 -4.089319 6.248137\nLi Cr Si O\n2 1 7 16\ndirect\n0.592512 0.844923 0.736924 Li\n0.303143 0.906781 0.337691 Li\n0.752056 0.773223 0.388399 Cr\n0.043947 0.782566 0.799904 Si\n0.270669 0.239737 0.568583 Si\n0.453434 0.351761 0.832442 Si\n0.138266 0.672903 0.148388 Si\n0.533093 0.657170 0.176992 Si\n0.886001 0.350990 0.836374 Si\n0.956488 0.235827 0.213334 Si\n0.396323 0.249118 0.693171 O\n0.179155 0.789869 0.914515 O\n0.790270 0.753468 0.959848 O\n0.040475 0.274079 0.677695 O\n0.968675 0.433456 0.259526 O\n0.555241 0.594877 0.710047 O\n0.194306 0.007498 0.580935 O\n0.400792 0.707814 0.062855 O\n0.637421 0.281164 0.867911 O\n0.797810 0.033150 0.436323 O\n0.028103 0.602823 0.728033 O\n0.440935 0.408760 0.314750 O\n0.061563 0.776244 0.301098 O\n0.215741 0.253138 0.069616 O\n0.849173 0.244984 0.066596 O\n0.514408 0.773678 0.318051 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 2.5451485296383907,
"density_atomic": 0.07686281100880883,
"volume": 338.2650160559478,
"volume_molar": 7.834921311048374,
"formula_full": "Li2 Cr1 Si7 O16",
"formula_reduced": "Li2CrSi7O16",
"formula_anonymous": "AB2C7D16",
"energy": -22.82174243,
"energy_per_atom": -0.8777593242307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -18.24674243,
"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.145000Z",
"spacegroup": 1
}
]
}