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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-elements&page=51",
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"results": [
{
"id": "mp-607785",
"created_at": "2022-09-04T14:46:24.275987Z",
"structure_string": "Rb12 Li2 Nd22 Se24 Cl32 O72\n1.0\n-8.009616 8.009616 12.578987\n8.009616 -8.009616 12.578987\n8.009616 8.009616 -12.578987\nRb Li Nd Se Cl O\n12 2 22 24 32 72\ndirect\n0.629666 0.620258 0.249924 Rb\n0.379742 0.629666 0.009407 Rb\n0.876655 0.376655 0.253309 Rb\n0.123345 0.623345 0.746691 Rb\n0.623345 0.876655 0.500000 Rb\n0.870334 0.120258 0.990593 Rb\n0.620258 0.370334 0.990593 Rb\n0.129666 0.879742 0.009407 Rb\n0.120258 0.129666 0.249924 Rb\n0.370334 0.379742 0.750076 Rb\n0.879742 0.870334 0.750076 Rb\n0.376655 0.123345 0.500000 Rb\n0.750000 0.250000 0.500000 Li\n0.250000 0.750000 0.500000 Li\n0.996679 0.254160 0.500000 Nd\n0.254160 0.754160 0.257480 Nd\n0.250000 0.507048 0.257048 Nd\n0.250000 0.250000 0.000000 Nd\n0.007048 0.750000 0.257048 Nd\n0.500000 0.000000 0.000000 Nd\n0.503321 0.003321 0.257480 Nd\n0.000000 0.000000 0.500000 Nd\n0.245840 0.503321 0.500000 Nd\n0.750000 0.492952 0.742952 Nd\n0.992952 0.250000 0.742952 Nd\n0.250000 0.992952 0.742952 Nd\n0.745840 0.245840 0.742520 Nd\n0.750000 0.750000 0.000000 Nd\n0.500000 0.500000 0.500000 Nd\n0.754160 0.496679 0.500000 Nd\n0.750000 0.007048 0.257048 Nd\n0.003321 0.745840 0.500000 Nd\n0.000000 0.500000 0.000000 Nd\n0.496679 0.996679 0.742520 Nd\n0.492952 0.750000 0.742952 Nd\n0.507048 0.250000 0.257048 Nd\n0.779406 0.063769 0.500000 Se\n0.010741 0.281683 0.972030 Se\n0.279406 0.779406 0.715637 Se\n0.936231 0.436231 0.715637 Se\n0.961289 0.989259 0.270943 Se\n0.809653 0.781683 0.270943 Se\n0.218317 0.489259 0.027970 Se\n0.461289 0.190347 0.972030 Se\n0.720594 0.220594 0.284363 Se\n0.038711 0.010741 0.729057 Se\n0.190347 0.218317 0.729057 Se\n0.989259 0.718317 0.027970 Se\n0.436231 0.720594 0.500000 Se\n0.510741 0.538711 0.729057 Se\n0.489259 0.461289 0.270943 Se\n0.220594 0.936231 0.500000 Se\n0.309653 0.038711 0.027970 Se\n0.690347 0.961289 0.972030 Se\n0.538711 0.809653 0.027970 Se\n0.281683 0.309653 0.270943 Se\n0.718317 0.690347 0.729057 Se\n0.781683 0.510741 0.972030 Se\n0.563769 0.279406 0.500000 Se\n0.063769 0.563769 0.284363 Se\n0.815624 0.315624 0.977786 Cl\n0.423422 0.923422 0.500000 Cl\n0.422761 0.422761 0.000000 Cl\n0.837838 0.815624 0.500000 Cl\n0.576578 0.076578 0.500000 Cl\n0.690585 0.432579 0.273489 Cl\n0.432579 0.159090 0.741993 Cl\n0.162162 0.184376 0.500000 Cl\n0.577239 0.577239 0.000000 Cl\n0.922761 0.922761 0.000000 Cl\n0.662162 0.162162 0.977786 Cl\n0.076578 0.576578 0.500000 Cl\n0.184376 0.684376 0.022214 Cl\n0.417097 0.690585 0.258007 Cl\n0.917097 0.659090 0.726511 Cl\n0.077239 0.077239 0.000000 Cl\n0.567421 0.840910 0.258007 Cl\n0.840910 0.582903 0.273489 Cl\n0.582903 0.309415 0.741993 Cl\n0.340910 0.067421 0.258007 Cl\n0.190585 0.917097 0.258007 Cl\n0.659090 0.932579 0.741993 Cl\n0.315624 0.337838 0.500000 Cl\n0.932579 0.190585 0.273489 Cl\n0.082903 0.340910 0.273489 Cl\n0.923422 0.423422 0.500000 Cl\n0.337838 0.837838 0.022214 Cl\n0.809415 0.082903 0.741993 Cl\n0.309415 0.567421 0.726511 Cl\n0.067421 0.809415 0.726511 Cl\n0.159090 0.417097 0.726511 Cl\n0.684376 0.662162 0.500000 Cl\n0.923084 0.594005 0.912765 O\n0.440992 0.063143 0.869586 O\n0.063857 0.683209 0.376229 O\n0.071405 0.693557 0.130414 O\n0.489682 0.818760 0.912765 O\n0.683209 0.306980 0.619352 O\n0.337982 0.175925 0.913055 O\n0.405995 0.318760 0.329079 O\n0.575074 0.662018 0.837943 O\n0.175925 0.262869 0.837943 O\n0.312372 0.936143 0.619352 O\n0.405292 0.625582 0.500000 O\n0.806443 0.428595 0.869586 O\n0.063143 0.193557 0.622152 O\n0.559008 0.936857 0.130414 O\n0.905995 0.576916 0.087235 O\n0.262869 0.424926 0.086945 O\n0.187628 0.806980 0.623771 O\n0.237131 0.324075 0.162057 O\n0.625582 0.125582 0.220290 O\n0.662018 0.824075 0.086945 O\n0.594005 0.681240 0.670921 O\n0.075074 0.237131 0.913055 O\n0.436143 0.812372 0.619352 O\n0.737131 0.575074 0.913055 O\n0.510318 0.181240 0.087235 O\n0.316791 0.693020 0.380648 O\n0.874418 0.094708 0.500000 O\n0.837982 0.924926 0.162057 O\n0.076916 0.405995 0.087235 O\n0.576916 0.489682 0.670921 O\n0.693557 0.563143 0.622152 O\n0.594708 0.374418 0.500000 O\n0.928595 0.306443 0.869586 O\n0.094005 0.423084 0.912765 O\n0.306443 0.436857 0.377848 O\n0.693020 0.312372 0.376229 O\n0.424926 0.337982 0.162057 O\n0.936143 0.316791 0.623771 O\n0.675925 0.837982 0.913055 O\n0.094708 0.594708 0.220290 O\n0.436857 0.059008 0.130414 O\n0.193557 0.571405 0.130414 O\n0.905292 0.405292 0.779710 O\n0.318760 0.989682 0.912765 O\n0.681240 0.010318 0.087235 O\n0.818760 0.905995 0.329079 O\n0.936857 0.806443 0.377848 O\n0.762869 0.675925 0.837943 O\n0.687628 0.063857 0.380648 O\n0.816791 0.436143 0.623771 O\n0.324075 0.162018 0.086945 O\n0.563857 0.187628 0.380648 O\n0.306980 0.687628 0.623771 O\n0.183209 0.563857 0.376229 O\n0.940992 0.071405 0.377848 O\n0.563143 0.940992 0.869586 O\n0.571405 0.440992 0.377848 O\n0.824075 0.737131 0.162057 O\n0.125582 0.905292 0.500000 O\n0.812372 0.193020 0.376229 O\n0.193020 0.816791 0.380648 O\n0.806980 0.183209 0.619352 O\n0.374418 0.874418 0.779710 O\n0.010318 0.923084 0.329079 O\n0.428595 0.559008 0.622152 O\n0.181240 0.094005 0.670921 O\n0.059008 0.928595 0.622152 O\n0.989682 0.076916 0.670921 O\n0.924926 0.762869 0.086945 O\n0.162018 0.075074 0.837943 O\n0.423084 0.510318 0.329079 O\n",
"nsites": 164,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Nd",
"Se",
"Cl",
"O"
],
"chemical_system": "Cl-Li-Nd-O-Rb-Se",
"density": 4.318224077698107,
"density_atomic": 0.0508059758539529,
"volume": 3227.9667350831955,
"volume_molar": 11.853213443456484,
"formula_full": "Rb12 Li2 Nd22 Se24 Cl32 O72",
"formula_reduced": "Rb6LiNd11Se12(Cl4O9)4",
"formula_anonymous": "AB6C11D12E16F36",
"energy": -1010.28203955,
"energy_per_atom": -6.160256338719512,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -941.17003955,
"band_gap": 3.2922,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0072751,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:31.731000Z",
"spacegroup": 140
},
{
"id": "mp-760023",
"created_at": "2022-09-04T14:41:50.242513Z",
"structure_string": "Rb2 Li2 Mn2 P6 H2 O20\n1.0\n4.541278 5.917478 0.000000\n-4.541278 5.917478 0.000000\n0.000000 3.103200 9.075283\nRb Li Mn P H O\n2 2 2 6 2 20\ndirect\n0.462601 0.545446 0.735329 Rb\n0.545446 0.462601 0.235329 Rb\n0.853210 0.069029 0.481950 Li\n0.069029 0.853210 0.981950 Li\n0.507089 0.000969 0.000173 Mn\n0.000969 0.507089 0.500173 Mn\n0.851480 0.717089 0.811126 P\n0.873944 0.123151 0.744005 P\n0.717089 0.851480 0.311126 P\n0.283774 0.150665 0.692962 P\n0.123151 0.873944 0.244005 P\n0.150665 0.283774 0.192962 P\n0.485119 0.003830 0.520343 H\n0.003830 0.485119 0.020343 H\n0.874948 0.928768 0.698570 O\n0.928768 0.874948 0.198570 O\n0.873083 0.593342 0.703649 O\n0.654977 0.748487 0.909475 O\n0.983121 0.372174 0.106297 O\n0.748487 0.654977 0.409475 O\n0.856166 0.262401 0.599163 O\n0.735787 0.152518 0.883825 O\n0.593342 0.873083 0.203649 O\n0.372174 0.983121 0.606297 O\n0.671184 0.014548 0.395437 O\n0.385119 0.139665 0.811921 O\n0.262401 0.856166 0.099163 O\n0.152518 0.735787 0.383825 O\n0.248142 0.342492 0.592637 O\n0.014548 0.671184 0.895437 O\n0.342492 0.248142 0.092637 O\n0.139665 0.385119 0.311921 O\n0.080652 0.086897 0.784136 O\n0.086897 0.080652 0.284136 O\n",
"nsites": 34,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Mn",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-Rb",
"density": 2.7321903236180236,
"density_atomic": 0.06970661666905209,
"volume": 487.75857479100847,
"volume_molar": 8.639267042024825,
"formula_full": "Rb2 Li2 Mn2 P6 H2 O20",
"formula_reduced": "RbLiMnP3HO10",
"formula_anonymous": "ABCDE3F10",
"energy": -248.2535247,
"energy_per_atom": -7.301574255882353,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -231.1775247,
"band_gap": 3.3555,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0129815,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.802000Z",
"spacegroup": 9
},
{
"id": "mp-699447",
"created_at": "2022-09-04T14:41:18.720279Z",
"structure_string": "Rb4 Li4 H16 S8 N8 O24\n1.0\n7.947459 0.000000 0.000000\n-1.413756 9.877302 0.000000\n-0.703651 -3.690878 10.289860\nRb Li H S N O\n4 4 16 8 8 24\ndirect\n0.759320 0.102051 0.145117 Rb\n0.240680 0.897949 0.854883 Rb\n0.223190 0.904574 0.339829 Rb\n0.776810 0.095426 0.660171 Rb\n0.889862 0.723600 0.052370 Li\n0.110138 0.276400 0.947630 Li\n0.115655 0.289721 0.457257 Li\n0.884345 0.710279 0.542743 Li\n0.548721 0.656538 0.849731 H\n0.451279 0.343462 0.150269 H\n0.690804 0.583926 0.751675 H\n0.309196 0.416074 0.248325 H\n0.534939 0.656395 0.326340 H\n0.465061 0.343605 0.673660 H\n0.542884 0.662146 0.173215 H\n0.457116 0.337854 0.826785 H\n0.501981 0.319961 0.387358 H\n0.498019 0.680039 0.612642 H\n0.557274 0.186758 0.435253 H\n0.442726 0.813242 0.564747 H\n0.223690 0.508211 0.783299 H\n0.776310 0.491789 0.216701 H\n0.026616 0.525710 0.825336 H\n0.973384 0.474290 0.174664 H\n0.746338 0.825528 0.826847 S\n0.253662 0.174472 0.173153 S\n0.732030 0.834150 0.322721 S\n0.267970 0.165850 0.677279 S\n0.759354 0.381037 0.508894 S\n0.240646 0.618963 0.491106 S\n0.233667 0.609250 0.996709 S\n0.766333 0.390750 0.003291 S\n0.619243 0.665477 0.775886 N\n0.380757 0.334523 0.224114 N\n0.613483 0.671248 0.258834 N\n0.386517 0.328752 0.741166 N\n0.557059 0.295365 0.464099 N\n0.442941 0.704635 0.535901 N\n0.152822 0.574655 0.843382 N\n0.847178 0.425345 0.156618 N\n0.630957 0.930709 0.856381 O\n0.369043 0.069291 0.143619 O\n0.842759 0.828656 0.717218 O\n0.157241 0.171344 0.282782 O\n0.864259 0.839566 0.942114 O\n0.135741 0.160434 0.057886 O\n0.623380 0.945235 0.359883 O\n0.376620 0.054765 0.640117 O\n0.836165 0.829551 0.437102 O\n0.163835 0.170449 0.562898 O\n0.836707 0.849468 0.220139 O\n0.163293 0.150532 0.779861 O\n0.761887 0.515156 0.480860 O\n0.238113 0.484844 0.519140 O\n0.869406 0.286330 0.431794 O\n0.130594 0.713670 0.568206 O\n0.792542 0.401372 0.648173 O\n0.207458 0.598628 0.351827 O\n0.412329 0.675752 0.002657 O\n0.587671 0.324248 0.997343 O\n0.131767 0.710440 0.074976 O\n0.868233 0.289560 0.925024 O\n0.220215 0.476573 0.030085 O\n0.779785 0.523427 0.969915 O\n",
"nsites": 64,
"nelements": 6,
"elements": [
"Rb",
"Li",
"H",
"S",
"N",
"O"
],
"chemical_system": "H-Li-N-O-Rb-S",
"density": 2.3401188695595447,
"density_atomic": 0.07923259487050889,
"volume": 807.7483781087346,
"volume_molar": 7.600585049425786,
"formula_full": "Rb4 Li4 H16 S8 N8 O24",
"formula_reduced": "RbLiH4S2(NO3)2",
"formula_anonymous": "ABC2D2E4F6",
"energy": -377.90447203,
"energy_per_atom": -5.90475737546875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -358.52847203,
"band_gap": 5.2525,
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"is_magnetic": false,
"total_magnetization": 0.0006147,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:19.342000Z",
"spacegroup": 2
},
{
"id": "mp-1236071",
"created_at": "2022-09-04T14:39:23.733883Z",
"structure_string": "Rb1 Li1 Cu2 H3 S2 O10\n1.0\n-5.038769 -3.098417 2.347993\n5.044137 -3.103940 -2.351259\n4.544431 -3.101065 5.757210\nRb Li Cu H S O\n1 1 2 3 2 10\ndirect\n0.467929 0.030269 0.500036 Rb\n0.125637 0.824017 0.045887 Li\n0.050657 0.346371 0.004124 Cu\n0.648971 0.946337 0.003724 Cu\n0.721215 0.495984 0.784552 H\n0.258556 0.522850 0.219103 H\n0.593277 0.418504 0.986828 H\n0.088205 0.222803 0.688600 S\n0.879036 0.808932 0.311896 S\n0.797083 0.058468 0.747198 O\n0.195075 0.454634 0.747635 O\n0.160736 0.993571 0.231735 O\n0.772451 0.605765 0.233355 O\n0.694793 0.388375 0.918823 O\n0.287310 0.628535 0.083943 O\n0.170453 0.041048 0.786968 O\n0.776214 0.996847 0.226341 O\n0.172521 0.341881 0.485630 O\n0.798531 0.689539 0.514289 O\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Li-O-Rb-S",
"density": 3.0117612532931055,
"density_atomic": 0.07715410695171203,
"volume": 246.26038393382498,
"volume_molar": 7.805340503479667,
"formula_full": "Rb1 Li1 Cu2 H3 S2 O10",
"formula_reduced": "RbLiCu2H3(SO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -110.07664092,
"energy_per_atom": -5.793507416842106,
"energy_above_hull": null,
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"energy_uncorrected": -103.20664092,
"band_gap": 0.504,
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"is_magnetic": true,
"total_magnetization": 1.0000072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.407000Z",
"spacegroup": 8
},
{
"id": "mp-1235164",
"created_at": "2022-09-04T14:45:00.378972Z",
"structure_string": "Rb1 Li1 Cu2 H3 S2 O10\n1.0\n-4.143041 -2.912053 2.391374\n4.545599 -3.490032 -2.485184\n4.070624 -3.364047 6.071897\nRb Li Cu H S O\n1 1 2 3 2 10\ndirect\n0.514736 0.022597 0.516797 Rb\n0.400671 0.646680 0.279624 Li\n0.012048 0.530587 0.993449 Cu\n0.484011 0.124805 0.945724 Cu\n0.762258 0.591133 0.772851 H\n0.194164 0.299179 0.174581 H\n0.481317 0.515270 0.005987 H\n0.089296 0.242980 0.722767 S\n0.930758 0.752463 0.305783 S\n0.777012 0.088990 0.792714 O\n0.190756 0.471611 0.771045 O\n0.249346 0.908881 0.222274 O\n0.830938 0.539483 0.239581 O\n0.699722 0.495308 0.907693 O\n0.300416 0.487506 0.101993 O\n0.193691 0.066974 0.810695 O\n0.809914 0.920637 0.239034 O\n0.193667 0.332769 0.518839 O\n0.853449 0.645922 0.507568 O\n",
"nsites": 19,
"nelements": 6,
"elements": [
"Rb",
"Li",
"Cu",
"H",
"S",
"O"
],
"chemical_system": "Cu-H-Li-O-Rb-S",
"density": 3.229305572511796,
"density_atomic": 0.08272707116107088,
"volume": 229.670889266788,
"volume_molar": 7.279528545468266,
"formula_full": "Rb1 Li1 Cu2 H3 S2 O10",
"formula_reduced": "RbLiCu2H3(SO5)2",
"formula_anonymous": "ABC2D2E3F10",
"energy": -110.10541939,
"energy_per_atom": -5.795022073157894,
"energy_above_hull": null,
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"energy_uncorrected": -103.23541939,
"band_gap": 0.0081000000000002,
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"updated_at": "2021-11-28T01:36:48.869000Z",
"spacegroup": 1
},
{
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