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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=elements&page=10160",
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"results": [
{
"id": "mp-1113549",
"created_at": "2022-09-04T14:39:46.868702Z",
"structure_string": "Rb2 Ga1 Hg1 I6\n1.0\n0.000000 5.960701 5.960701\n5.960701 0.000000 5.960701\n5.960701 5.960701 0.000000\nRb Ga Hg I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.500000 Hg\n0.757758 0.242242 0.242242 I\n0.242242 0.242242 0.757758 I\n0.242242 0.757758 0.757758 I\n0.242242 0.757758 0.242242 I\n0.757758 0.242242 0.757758 I\n0.757758 0.757758 0.242242 I\n",
"nsites": 10,
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"elements": [
"Rb",
"Ga",
"Hg",
"I"
],
"chemical_system": "Ga-Hg-I-Rb",
"density": 4.714932990185666,
"density_atomic": 0.023609021751419962,
"volume": 423.5668934227887,
"volume_molar": 25.50779453467952,
"formula_full": "Rb2 Ga1 Hg1 I6",
"formula_reduced": "Rb2GaHgI6",
"formula_anonymous": "ABC2D6",
"energy": -24.52062869,
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"updated_at": "2021-11-28T01:34:42.575000Z",
"spacegroup": 225
},
{
"id": "mp-558390",
"created_at": "2022-09-04T14:43:13.811816Z",
"structure_string": "Rb2 Ga4 P10 O32\n1.0\n9.337576 0.000000 0.000000\n0.000000 7.498350 0.000000\n0.000000 3.864491 9.576457\nRb Ga P O\n2 4 10 32\ndirect\n0.798266 0.976445 0.772309 Rb\n0.201734 0.976445 0.272309 Rb\n0.368490 0.914982 0.872871 Ga\n0.138615 0.355648 0.481193 Ga\n0.631510 0.914982 0.372871 Ga\n0.861385 0.355648 0.981193 Ga\n0.584915 0.100936 0.039453 P\n0.415085 0.100936 0.539453 P\n0.863113 0.601259 0.383198 P\n0.874018 0.263361 0.311802 P\n0.125982 0.263361 0.811802 P\n0.294498 0.554448 0.138927 P\n0.136887 0.601259 0.883198 P\n0.456715 0.500223 0.499764 P\n0.705502 0.554448 0.638927 P\n0.543285 0.500223 0.999764 P\n0.454709 0.470050 0.142186 O\n0.505789 0.311343 0.969873 O\n0.229929 0.454773 0.278995 O\n0.253764 0.130354 0.519591 O\n0.701573 0.503493 0.028926 O\n0.936836 0.276085 0.171973 O\n0.479651 0.670630 0.884698 O\n0.215228 0.478574 0.029406 O\n0.988235 0.210741 0.426543 O\n0.196867 0.801484 0.817268 O\n0.770071 0.454773 0.778995 O\n0.534217 0.987460 0.953689 O\n0.298427 0.503493 0.528926 O\n0.739661 0.142744 0.358352 O\n0.704358 0.772048 0.576608 O\n0.023647 0.595940 0.410310 O\n0.537872 0.023274 0.191712 O\n0.063164 0.276085 0.671973 O\n0.803133 0.801484 0.317268 O\n0.746236 0.130354 0.019591 O\n0.011765 0.210741 0.926543 O\n0.545291 0.470050 0.642186 O\n0.822897 0.484024 0.289234 O\n0.465783 0.987460 0.453689 O\n0.520349 0.670630 0.384698 O\n0.295642 0.772048 0.076608 O\n0.260339 0.142744 0.858352 O\n0.462128 0.023274 0.691712 O\n0.976353 0.595940 0.910310 O\n0.494211 0.311343 0.469873 O\n0.177103 0.484024 0.789234 O\n0.784772 0.478574 0.529406 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P-Rb",
"density": 3.149027546149303,
"density_atomic": 0.0715873880078628,
"volume": 670.5091683849105,
"volume_molar": 8.412292901842651,
"formula_full": "Rb2 Ga4 P10 O32",
"formula_reduced": "RbGa2P5O16",
"formula_anonymous": "AB2C5D16",
"energy": -351.86802491,
"energy_per_atom": -7.330583852291666,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -329.88402491,
"band_gap": 4.4174,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.84e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:10.091000Z",
"spacegroup": 7
},
{
"id": "mp-1219812",
"created_at": "2022-09-04T14:45:52.638460Z",
"structure_string": "Rb4 Ga8 P10 O41\n1.0\n-5.157180 -0.000028 0.157770\n-0.000256 -0.000442 -8.301896\n-0.000130 -21.924583 -0.001166\nRb Ga P O\n4 8 10 41\ndirect\n0.979115 0.837242 0.499694 Rb\n0.020939 0.163083 0.999696 Rb\n0.001177 0.427867 0.776275 Rb\n0.992828 0.574646 0.275343 Rb\n0.459031 0.543812 0.913920 Ga\n0.540756 0.455872 0.413802 Ga\n0.967706 0.338423 0.576766 Ga\n0.032204 0.661713 0.076651 Ga\n0.042999 0.979548 0.821105 Ga\n0.957292 0.020532 0.321155 Ga\n0.477524 0.835562 0.656602 Ga\n0.521966 0.164406 0.156726 Ga\n0.535392 0.168832 0.875866 P\n0.464857 0.830892 0.375752 P\n0.003052 0.047171 0.670612 P\n0.996858 0.952589 0.170749 P\n0.504423 0.544842 0.563147 P\n0.494952 0.455272 0.063215 P\n0.542860 0.740321 0.790222 P\n0.457308 0.259900 0.290289 P\n0.972270 0.748905 0.939431 P\n0.027669 0.251208 0.439463 P\n0.154667 0.912902 0.636452 O\n0.844852 0.086492 0.136552 O\n0.207151 0.510260 0.568679 O\n0.792359 0.489983 0.068827 O\n0.069066 0.212419 0.640161 O\n0.931448 0.786145 0.140784 O\n0.607807 0.544434 0.497959 O\n0.392243 0.455559 0.997997 O\n0.654447 0.421466 0.602433 O\n0.344673 0.578299 0.102560 O\n0.622211 0.342589 0.899122 O\n0.377625 0.657133 0.398996 O\n0.108817 0.601735 0.911329 O\n0.891300 0.398379 0.411238 O\n0.085052 0.062449 0.736692 O\n0.915776 0.936311 0.236820 O\n0.369448 0.868587 0.815091 O\n0.630484 0.131223 0.314972 O\n0.536911 0.076712 0.937289 O\n0.463089 0.923390 0.437046 O\n0.832328 0.791331 0.792174 O\n0.167613 0.208968 0.292118 O\n0.262573 0.175414 0.848028 O\n0.737727 0.824179 0.347954 O\n0.744525 0.123119 0.829850 O\n0.255779 0.875765 0.329495 O\n0.498865 0.576366 0.824468 O\n0.501055 0.423872 0.324397 O\n0.559382 0.719045 0.587519 O\n0.440579 0.280928 0.087569 O\n0.709085 0.008903 0.660285 O\n0.290700 0.990801 0.160217 O\n0.064703 0.781728 0.006836 O\n0.935005 0.218620 0.506814 O\n0.468638 0.696792 0.721942 O\n0.531548 0.303666 0.221929 O\n0.678220 0.708384 0.941239 O\n0.321738 0.291544 0.441298 O\n0.029792 0.908089 0.906798 O\n0.970127 0.091979 0.406786 O\n0.490416 0.329402 0.728005 O\n",
"nsites": 63,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"P",
"O"
],
"chemical_system": "Ga-O-P-Rb",
"density": 3.2998358937103585,
"density_atomic": 0.0671149422365825,
"volume": 938.688135615506,
"volume_molar": 8.97287632129928,
"formula_full": "Rb4 Ga8 P10 O41",
"formula_reduced": "Rb4Ga8P10O41",
"formula_anonymous": "A4B8C10D41",
"energy": -440.90844084,
"energy_per_atom": -6.9985466800000005,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -412.74144084,
"band_gap": 0.1577,
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"is_magnetic": true,
"total_magnetization": 3.9983795,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:38.543000Z",
"spacegroup": 1
},
{
"id": "mp-560761",
"created_at": "2022-09-04T14:46:07.279143Z",
"structure_string": "Rb2 Ga6 P12 O40\n1.0\n5.076514 -6.638100 0.000000\n5.076514 6.638100 0.000000\n0.000000 0.000000 12.219339\nRb Ga P O\n2 6 12 40\ndirect\n0.473623 0.473623 0.000000 Rb\n0.526377 0.526377 0.500000 Rb\n0.706281 0.293720 0.750000 Ga\n0.864525 0.864525 0.000000 Ga\n0.293719 0.706280 0.250000 Ga\n0.243695 0.756305 0.750000 Ga\n0.756305 0.243695 0.250000 Ga\n0.135475 0.135475 0.500000 Ga\n0.149847 0.741127 0.487867 P\n0.697030 0.825643 0.223288 P\n0.093875 0.367379 0.817030 P\n0.906125 0.632621 0.317030 P\n0.174357 0.302970 0.276712 P\n0.632621 0.906125 0.682970 P\n0.850153 0.258873 0.987867 P\n0.302970 0.174357 0.723288 P\n0.258873 0.850153 0.012133 P\n0.825643 0.697030 0.776712 P\n0.367379 0.093875 0.182970 P\n0.741127 0.149847 0.512133 P\n0.949594 0.334066 0.739691 O\n0.749428 0.737616 0.886486 O\n0.010345 0.730992 0.790559 O\n0.210365 0.172238 0.186254 O\n0.768001 0.476069 0.301480 O\n0.172238 0.210365 0.813746 O\n0.034787 0.362357 0.942592 O\n0.637643 0.965213 0.557408 O\n0.678652 0.161367 0.397352 O\n0.728726 0.531077 0.732833 O\n0.723820 0.304332 0.912022 O\n0.922838 0.146300 0.521810 O\n0.362357 0.034787 0.057408 O\n0.523931 0.231999 0.198520 O\n0.146300 0.922838 0.478190 O\n0.531077 0.728726 0.267167 O\n0.853700 0.077162 0.978190 O\n0.269008 0.989655 0.709441 O\n0.321348 0.838633 0.897352 O\n0.077162 0.853700 0.021810 O\n0.250572 0.262384 0.386486 O\n0.695668 0.276180 0.587978 O\n0.838633 0.321348 0.102648 O\n0.827762 0.789635 0.313746 O\n0.050406 0.665934 0.239691 O\n0.730992 0.010345 0.209441 O\n0.231999 0.523931 0.801480 O\n0.262384 0.250572 0.613514 O\n0.304332 0.723820 0.087978 O\n0.334066 0.949594 0.260309 O\n0.476069 0.768001 0.698520 O\n0.789635 0.827762 0.686254 O\n0.271274 0.468923 0.232833 O\n0.161367 0.678652 0.602648 O\n0.276180 0.695668 0.412022 O\n0.665934 0.050406 0.760309 O\n0.989655 0.269008 0.290559 O\n0.965213 0.637643 0.442592 O\n0.468923 0.271274 0.767167 O\n0.737616 0.749428 0.113514 O\n",
"nsites": 60,
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"elements": [
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],
"chemical_system": "Ga-O-P-Rb",
"density": 3.228015707775892,
"density_atomic": 0.07285580519989769,
"volume": 823.5445320434707,
"volume_molar": 8.265835156823519,
"formula_full": "Rb2 Ga6 P12 O40",
"formula_reduced": "RbGa3(P3O10)2",
"formula_anonymous": "AB3C6D20",
"energy": -439.27914382,
"energy_per_atom": -7.3213190636666665,
"energy_above_hull": null,
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"total_magnetization": 0.0001872,
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"updated_at": "2021-11-28T01:37:26.649000Z",
"spacegroup": 20
},
{
"id": "mp-1209213",
"created_at": "2022-09-04T14:45:54.208324Z",
"structure_string": "Rb1 Ga1 S2 O8\n1.0\n2.438817 -4.224155 0.000000\n2.438817 4.224155 0.000000\n0.000000 0.000000 8.621646\nRb Ga S O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.333333 0.666667 0.204929 S\n0.666667 0.333333 0.795071 S\n0.084914 0.349038 0.147429 O\n0.650962 0.735875 0.147429 O\n0.349038 0.084914 0.852571 O\n0.264125 0.915086 0.147429 O\n0.735875 0.650962 0.852571 O\n0.915086 0.264125 0.852571 O\n0.333333 0.666667 0.374036 O\n0.666667 0.333333 0.625964 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Rb",
"Ga",
"S",
"O"
],
"chemical_system": "Ga-O-Rb-S",
"density": 3.246643820580266,
"density_atomic": 0.06755258989004324,
"volume": 177.6393772545605,
"volume_molar": 8.914744452880878,
"formula_full": "Rb1 Ga1 S2 O8",
"formula_reduced": "RbGa(SO4)2",
"formula_anonymous": "ABC2D8",
"energy": -76.38182388,
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"updated_at": "2021-11-28T01:37:11.567000Z",
"spacegroup": 150
},
{
"id": "mp-1197961",
"created_at": "2022-09-04T14:45:00.640524Z",
"structure_string": "Rb6 Ga4 Se8 O28\n1.0\n3.633698 -9.076339 0.000000\n3.633698 9.076339 0.000000\n0.000000 0.000000 13.589065\nRb Ga Se O\n6 4 8 28\ndirect\n0.316452 0.683548 0.534913 Rb\n0.683548 0.316452 0.465087 Rb\n0.183548 0.816452 0.034913 Rb\n0.816452 0.183548 0.965087 Rb\n0.000000 0.000000 0.500000 Rb\n0.500000 0.500000 0.000000 Rb\n0.420867 0.079133 0.750000 Ga\n0.079133 0.420867 0.250000 Ga\n0.579133 0.920867 0.250000 Ga\n0.920867 0.579133 0.750000 Ga\n0.805340 0.194660 0.670213 Se\n0.194660 0.805340 0.329787 Se\n0.694660 0.305340 0.170213 Se\n0.305340 0.694660 0.829787 Se\n0.537587 0.462413 0.677921 Se\n0.462413 0.537587 0.322079 Se\n0.962413 0.037587 0.177921 Se\n0.037587 0.962413 0.822079 Se\n0.559788 0.063704 0.646674 O\n0.063704 0.559788 0.353326 O\n0.563704 0.059788 0.146674 O\n0.059788 0.563704 0.853326 O\n0.440212 0.936296 0.353326 O\n0.936296 0.440212 0.646674 O\n0.436296 0.940212 0.853326 O\n0.940212 0.436296 0.146674 O\n0.174842 0.825158 0.702404 O\n0.825158 0.174842 0.297596 O\n0.325158 0.674842 0.202404 O\n0.674842 0.325158 0.797596 O\n0.400664 0.219179 0.646621 O\n0.219179 0.400664 0.353379 O\n0.719179 0.900664 0.146621 O\n0.900664 0.719179 0.853379 O\n0.599336 0.780821 0.353379 O\n0.780821 0.599336 0.646621 O\n0.280821 0.099336 0.853379 O\n0.099336 0.280821 0.146621 O\n0.468026 0.531974 0.596610 O\n0.531974 0.468026 0.403390 O\n0.031974 0.968026 0.096610 O\n0.968026 0.031974 0.903390 O\n0.858562 0.141438 0.569866 O\n0.141438 0.858562 0.430134 O\n0.641438 0.358562 0.069866 O\n0.358562 0.641438 0.930134 O\n",
"nsites": 46,
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"elements": [
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"Se",
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],
"chemical_system": "Ga-O-Rb-Se",
"density": 3.466792066325017,
"density_atomic": 0.051319063417375424,
"volume": 896.353069148676,
"volume_molar": 11.73470511537248,
"formula_full": "Rb6 Ga4 Se8 O28",
"formula_reduced": "Rb3Ga2(Se2O7)2",
"formula_anonymous": "A2B3C4D14",
"energy": -255.23034371,
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"updated_at": "2021-11-28T01:36:49.590000Z",
"spacegroup": 64
},
{
"id": "mp-1209140",
"created_at": "2022-09-04T14:47:57.587409Z",
"structure_string": "Rb1 Ga1 Se2 O8\n1.0\n-2.574777 -4.459645 0.000000\n-2.574777 4.459645 0.000000\n0.000000 0.000000 -9.072241\nRb Ga Se O\n1 1 2 8\ndirect\n0.000000 0.000000 0.500000 Rb\n0.000000 0.000000 0.000000 Ga\n0.666667 0.333333 0.800131 Se\n0.333333 0.666667 0.199869 Se\n0.931756 0.258074 0.858355 O\n0.326317 0.068244 0.858355 O\n0.673683 0.741926 0.141645 O\n0.741926 0.673683 0.858355 O\n0.258074 0.931756 0.141645 O\n0.068244 0.326317 0.141645 O\n0.666667 0.333333 0.618913 O\n0.333333 0.666667 0.381087 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
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"Se",
"O"
],
"chemical_system": "Ga-O-Rb-Se",
"density": 3.515665752572842,
"density_atomic": 0.05759658866872323,
"volume": 208.34567250189212,
"volume_molar": 10.455724721193798,
"formula_full": "Rb1 Ga1 Se2 O8",
"formula_reduced": "RbGa(SeO4)2",
"formula_anonymous": "ABC2D8",
"energy": -68.75210344,
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"energy_uncorrected": -63.25610343999999,
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"updated_at": "2021-11-28T01:38:23.183000Z",
"spacegroup": 150
},
{
"id": "mp-1220653",
"created_at": "2022-09-04T14:48:25.935026Z",
"structure_string": "Rb6 Ga10 Se20 O61\n1.0\n10.990398 0.000000 0.000000\n3.858326 12.192195 0.000000\n1.114115 0.390005 12.900085\nRb Ga Se O\n6 10 20 61\ndirect\n0.739429 0.443405 0.946297 Rb\n0.260638 0.556850 0.053531 Rb\n0.505021 0.002603 0.821191 Rb\n0.495362 0.996602 0.179938 Rb\n0.824274 0.922124 0.452764 Rb\n0.176248 0.075609 0.546581 Rb\n0.803188 0.682053 0.726630 Ga\n0.196703 0.318360 0.272209 Ga\n0.821367 0.675394 0.220507 Ga\n0.178262 0.325285 0.780475 Ga\n0.490189 0.265179 0.001660 Ga\n0.510044 0.734637 0.998404 Ga\n0.806110 0.176108 0.228620 Ga\n0.193913 0.823715 0.771590 Ga\n0.802091 0.181502 0.732986 Ga\n0.197702 0.818493 0.266858 Ga\n0.483209 0.327410 0.757085 Se\n0.516898 0.672821 0.243012 Se\n0.760851 0.652109 0.477691 Se\n0.237600 0.347941 0.522641 Se\n0.889095 0.407435 0.223275 Se\n0.110744 0.592708 0.776678 Se\n0.503786 0.674951 0.759197 Se\n0.496289 0.325286 0.240772 Se\n0.806847 0.729445 0.974488 Se\n0.193301 0.270398 0.025487 Se\n0.784648 0.131181 0.987097 Se\n0.215423 0.868870 0.012883 Se\n0.793282 0.231126 0.474942 Se\n0.207473 0.769087 0.525309 Se\n0.892048 0.912210 0.721768 Se\n0.107793 0.087726 0.278434 Se\n0.897020 0.409575 0.677910 Se\n0.102820 0.590713 0.322028 Se\n0.917367 0.907965 0.169376 Se\n0.082631 0.092169 0.830436 Se\n0.784266 0.534966 0.707061 O\n0.215638 0.464905 0.293485 O\n0.612040 0.213212 0.733891 O\n0.387676 0.787142 0.265987 O\n0.797607 0.031580 0.779838 O\n0.202294 0.968549 0.220151 O\n0.785715 0.333353 0.264711 O\n0.214423 0.666508 0.735159 O\n0.795098 0.217909 0.882739 O\n0.204900 0.782131 0.117218 O\n0.602137 0.676139 0.477022 O\n0.393304 0.332859 0.523250 O\n0.787197 0.336307 0.698505 O\n0.213028 0.663576 0.301277 O\n0.792866 0.726607 0.572609 O\n0.207151 0.273679 0.427159 O\n0.788900 0.836272 0.758474 O\n0.211079 0.163841 0.241930 O\n0.797358 0.023832 0.210358 O\n0.202544 0.976298 0.789828 O\n0.063648 0.740221 0.517607 O\n0.937515 0.259287 0.482110 O\n0.817957 0.715634 0.371216 O\n0.181757 0.284208 0.629115 O\n0.830436 0.134553 0.380096 O\n0.168629 0.865559 0.620339 O\n0.379722 0.792561 0.745981 O\n0.620109 0.207734 0.254375 O\n0.821598 0.137690 0.581087 O\n0.177148 0.862372 0.419066 O\n0.007050 0.363614 0.310532 O\n0.993181 0.636304 0.689382 O\n0.370920 0.257998 0.771071 O\n0.628943 0.742164 0.228181 O\n0.823334 0.631733 0.074230 O\n0.176796 0.368368 0.926005 O\n0.823500 0.638023 0.877305 O\n0.176616 0.362066 0.122428 O\n0.493926 0.360237 0.887673 O\n0.505603 0.639749 0.112518 O\n0.358651 0.199270 0.016552 O\n0.641274 0.800701 0.983423 O\n0.787469 0.222986 0.078477 O\n0.212459 0.776976 0.921565 O\n0.504246 0.640136 0.894560 O\n0.495627 0.359790 0.105419 O\n0.007496 0.862858 0.810001 O\n0.992606 0.137254 0.190128 O\n0.984540 0.380641 0.786981 O\n0.015596 0.619180 0.212995 O\n0.798264 0.532005 0.271711 O\n0.201378 0.467932 0.727977 O\n0.622714 0.131917 0.996102 O\n0.377293 0.868024 0.003873 O\n0.003139 0.867697 0.278093 O\n0.996978 0.132241 0.721802 O\n0.181719 0.174879 0.827587 O\n0.818405 0.825317 0.171845 O\n0.616457 0.742891 0.744730 O\n0.383480 0.257265 0.255726 O\n0.478033 0.893556 0.484234 O\n",
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"elements": [
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],
"chemical_system": "Ga-O-Rb-Se",
"density": 3.617006411081869,
"density_atomic": 0.05611562990073764,
"volume": 1728.5736642639904,
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"formula_full": "Rb6 Ga10 Se20 O61",
"formula_reduced": "Rb6Ga10Se20O61",
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"updated_at": "2021-11-28T01:39:13.854000Z",
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},
{
"id": "mp-1209628",
"created_at": "2022-09-04T14:45:24.762106Z",
"structure_string": "Rb8 Ga8 Sn8 Se32\n1.0\n13.190650 0.000000 0.000000\n0.000000 7.712388 0.000000\n0.000000 1.863043 18.604539\nRb Ga Sn Se\n8 8 8 32\ndirect\n0.432865 0.769622 0.332975 Rb\n0.567135 0.230378 0.667025 Rb\n0.932865 0.230378 0.167025 Rb\n0.067135 0.769622 0.832975 Rb\n0.607089 0.248096 0.049191 Rb\n0.392911 0.751904 0.950809 Rb\n0.107089 0.751904 0.450809 Rb\n0.892911 0.248096 0.549191 Rb\n0.753695 0.985232 0.343459 Ga\n0.246305 0.014768 0.656541 Ga\n0.253695 0.014768 0.156541 Ga\n0.746305 0.985232 0.843459 Ga\n0.751603 0.473466 0.355363 Ga\n0.248397 0.526534 0.644637 Ga\n0.251603 0.526534 0.144637 Ga\n0.748397 0.473466 0.855363 Ga\n0.702952 0.741188 0.182646 Sn\n0.297048 0.258812 0.817354 Sn\n0.202952 0.258812 0.317354 Sn\n0.797048 0.741188 0.682646 Sn\n0.816308 0.721548 0.013931 Sn\n0.183692 0.278452 0.986069 Sn\n0.316308 0.278452 0.486069 Sn\n0.683692 0.721548 0.513931 Sn\n0.161930 0.964424 0.273558 Se\n0.838070 0.035576 0.726442 Se\n0.661930 0.035576 0.226442 Se\n0.338070 0.964424 0.773558 Se\n0.861010 0.728651 0.346848 Se\n0.138990 0.271349 0.653152 Se\n0.361010 0.271349 0.153152 Se\n0.638990 0.728651 0.846848 Se\n0.626879 0.750375 0.052434 Se\n0.373121 0.249625 0.947566 Se\n0.126879 0.249625 0.447566 Se\n0.873121 0.750375 0.552434 Se\n0.624387 0.483521 0.258388 Se\n0.375613 0.516479 0.741612 Se\n0.124387 0.516479 0.241612 Se\n0.875613 0.483521 0.758388 Se\n0.617073 0.982383 0.433510 Se\n0.382927 0.017617 0.566490 Se\n0.117073 0.017617 0.066490 Se\n0.882927 0.982383 0.933510 Se\n0.891245 0.715342 0.143165 Se\n0.108755 0.284658 0.856835 Se\n0.391245 0.284658 0.356835 Se\n0.608755 0.715342 0.643165 Se\n0.368065 0.771470 0.146298 Se\n0.631935 0.228530 0.853702 Se\n0.868065 0.228530 0.353702 Se\n0.131935 0.771470 0.646298 Se\n0.651142 0.425666 0.468531 Se\n0.348858 0.574334 0.531469 Se\n0.151142 0.574334 0.031469 Se\n0.848858 0.425666 0.968531 Se\n",
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],
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"volume": 1892.6659992364148,
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"formula_full": "Rb8 Ga8 Sn8 Se32",
"formula_reduced": "RbGaSnSe4",
"formula_anonymous": "ABCD4",
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"updated_at": "2021-11-28T01:37:00.528000Z",
"spacegroup": 14
},
{
"id": "mp-1111486",
"created_at": "2022-09-04T14:41:35.705349Z",
"structure_string": "Rb2 Gd1 Ag1 Cl6\n1.0\n0.000000 5.410341 5.410341\n5.410341 0.000000 5.410341\n5.410341 5.410341 0.000000\nRb Gd Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Rb\n0.250000 0.250000 0.250000 Rb\n0.000000 0.000000 0.000000 Gd\n0.500000 0.500000 0.500000 Ag\n0.753740 0.246260 0.246260 Cl\n0.246260 0.246260 0.753740 Cl\n0.246260 0.753740 0.753740 Cl\n0.246260 0.753740 0.246260 Cl\n0.753740 0.246260 0.753740 Cl\n0.753740 0.753740 0.246260 Cl\n",
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"Ag",
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],
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"volume_molar": 19.07457250290637,
"formula_full": "Rb2 Gd1 Ag1 Cl6",
"formula_reduced": "Rb2GdAgCl6",
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"updated_at": "2021-11-28T01:35:25.641000Z",
"spacegroup": 225
},
{
"id": "mp-1106295",
"created_at": "2022-09-04T14:44:16.023357Z",
"structure_string": "Rb2 Gd4 Cu4 S9\n1.0\n0.000000 -4.081577 0.000000\n-7.032428 -2.040789 0.000000\n-1.610248 -2.040789 -15.228511\nRb Gd Cu S\n2 4 4 9\ndirect\n0.972662 0.284916 0.769760 Rb\n0.027338 0.715084 0.230240 Rb\n0.766950 0.862506 0.603593 Gd\n0.233050 0.137494 0.396407 Gd\n0.346344 0.253540 0.053773 Gd\n0.653656 0.746460 0.946227 Gd\n0.751055 0.269615 0.228274 Cu\n0.248945 0.730385 0.771726 Cu\n0.566263 0.326439 0.541036 Cu\n0.433738 0.673561 0.458964 Cu\n0.858851 0.856260 0.426038 S\n0.141149 0.143740 0.573962 S\n0.705233 0.488428 0.101106 S\n0.294767 0.511572 0.898894 S\n0.608408 0.406643 0.376541 S\n0.391592 0.593357 0.623459 S\n0.342006 0.093631 0.222357 S\n0.657994 0.906369 0.777643 S\n0.000000 0.000000 0.000000 S\n",
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"Cu",
"S"
],
"chemical_system": "Cu-Gd-Rb-S",
"density": 5.100806449160907,
"density_atomic": 0.043467320682641974,
"volume": 437.10998749429166,
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"formula_full": "Rb2 Gd4 Cu4 S9",
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},
{
"id": "mp-12322",
"created_at": "2022-09-04T14:40:39.989399Z",
"structure_string": "Rb2 Gd4 Cu2 S8\n1.0\n2.011233 -6.956170 0.000000\n2.011233 6.956170 0.000000\n0.000000 0.000000 13.861106\nRb Gd Cu S\n2 4 2 8\ndirect\n0.106633 0.893367 0.250000 Rb\n0.893367 0.106633 0.750000 Rb\n0.365951 0.634049 0.438736 Gd\n0.634049 0.365951 0.561264 Gd\n0.365951 0.634049 0.061264 Gd\n0.634049 0.365951 0.938736 Gd\n0.165546 0.834454 0.750000 Cu\n0.834454 0.165546 0.250000 Cu\n0.000000 0.000000 0.500000 S\n0.000000 0.000000 0.000000 S\n0.740778 0.259222 0.109621 S\n0.259222 0.740778 0.890379 S\n0.576603 0.423397 0.750000 S\n0.740778 0.259222 0.390379 S\n0.423397 0.576603 0.250000 S\n0.259222 0.740778 0.609621 S\n",
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],
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"formula_full": "Rb2 Gd4 Cu2 S8",
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"updated_at": "2021-11-28T01:35:06.528000Z",
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}
]
}