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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=28",
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"results": [
{
"id": "mp-1234468",
"created_at": "2022-09-04T14:39:17.218899Z",
"structure_string": "Rb2 Nd2 Mg1 W4 O16\n1.0\n6.719197 0.094211 3.563456\n-1.601708 7.410281 3.537750\n0.109012 0.106512 7.541060\nRb Nd Mg W O\n2 2 1 4 16\ndirect\n0.797178 0.205531 0.751747 Rb\n0.209579 0.802879 0.238906 Rb\n0.258666 0.839879 0.702290 Nd\n0.738572 0.162420 0.286782 Nd\n0.076577 0.471840 0.054559 Mg\n0.687122 0.687312 0.801924 W\n0.689560 0.676339 0.305437 W\n0.334162 0.317397 0.203254 W\n0.314279 0.323760 0.702785 W\n0.608811 0.386246 0.451979 O\n0.262066 0.081649 0.780957 O\n0.043602 0.339836 0.901224 O\n0.399946 0.080800 0.345248 O\n0.746224 0.620249 0.568006 O\n0.385655 0.274538 0.926965 O\n0.609650 0.903571 0.655182 O\n0.381501 0.605919 0.559400 O\n0.033783 0.241983 0.309387 O\n0.754382 0.921884 0.210356 O\n0.353740 0.579576 0.971740 O\n0.971613 0.674681 0.082884 O\n0.248335 0.368307 0.451738 O\n0.610774 0.719201 0.069657 O\n0.959753 0.772306 0.680238 O\n0.641133 0.416896 0.023072 O\n",
"nsites": 25,
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"elements": [
"Rb",
"Nd",
"Mg",
"W",
"O"
],
"chemical_system": "Mg-Nd-O-Rb-W",
"density": 6.608732155076586,
"density_atomic": 0.0674520198918071,
"volume": 370.63382297668693,
"volume_molar": 8.928036209530124,
"formula_full": "Rb2 Nd2 Mg1 W4 O16",
"formula_reduced": "Rb2Nd2Mg(WO4)4",
"formula_anonymous": "AB2C2D4E16",
"energy": -207.64257928000004,
"energy_per_atom": -8.305703171200001,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -178.89857928,
"band_gap": 1.9376,
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"is_magnetic": true,
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"updated_at": "2021-11-28T01:34:40.685000Z",
"spacegroup": 1
},
{
"id": "mp-1389506",
"created_at": "2022-09-04T14:39:17.088694Z",
"structure_string": "V4 O3 F9\n1.0\n-5.207466 0.000000 0.000000\n2.584616 4.751026 0.000000\n-0.053453 -3.023480 -8.673818\nV O F\n4 3 9\ndirect\n0.749194 0.250145 0.250248 V\n0.521953 0.487897 0.499014 V\n0.217335 0.736061 0.744939 V\n0.978378 0.012638 0.002882 V\n0.841638 0.157086 0.080728 O\n0.855123 0.589592 0.668800 O\n0.655948 0.341531 0.418570 O\n0.326921 0.070050 0.169581 F\n0.347881 0.673161 0.582564 F\n0.777396 0.619213 0.119566 F\n0.720002 0.879912 0.377862 F\n0.169920 0.429476 0.331694 F\n0.169371 0.833131 0.921643 F\n0.286126 0.129886 0.630961 F\n0.222554 0.374923 0.874963 F\n0.660261 0.915299 0.825984 F\n",
"nsites": 16,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 3.2712096780377737,
"density_atomic": 0.07455827083112204,
"volume": 214.5972515408887,
"volume_molar": 8.077092846802243,
"formula_full": "V4 O3 F9",
"formula_reduced": "V4(OF3)3",
"formula_anonymous": "A3B4C9",
"energy": -89.91200296000001,
"energy_per_atom": -5.619500185000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.89300296,
"band_gap": 0.8817999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.0158309,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.142000Z",
"spacegroup": 1
},
{
"id": "mp-675310",
"created_at": "2022-09-04T14:39:17.116280Z",
"structure_string": "Na3 V5 Se10\n1.0\n8.987191 0.140984 36.938775\n3.609791 3.187788 21.773298\n0.022444 0.053869 14.770816\nNa V Se\n3 5 10\ndirect\n0.346016 0.141046 0.168466 Na\n0.575753 0.120975 0.129758 Na\n0.736815 0.178363 0.142788 Na\n0.029406 0.940323 0.015471 V\n0.193925 0.036887 0.963267 V\n0.363538 0.041425 0.028854 V\n0.565767 0.012851 0.065208 V\n0.830086 0.988571 0.941259 V\n0.028805 0.402590 0.429207 Se\n0.234577 0.400062 0.425788 Se\n0.162570 0.614320 0.566399 Se\n0.446515 0.388277 0.394300 Se\n0.355102 0.606236 0.595829 Se\n0.638871 0.384790 0.415872 Se\n0.554860 0.599193 0.610826 Se\n0.840395 0.406700 0.392091 Se\n0.755105 0.612545 0.604939 Se\n0.941854 0.624947 0.609777 Se\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Na",
"V",
"Se"
],
"chemical_system": "Na-Se-V",
"density": 4.511918648301651,
"density_atomic": 0.04393205376094166,
"volume": 409.723617701732,
"volume_molar": 13.707851658312544,
"formula_full": "Na3 V5 Se10",
"formula_reduced": "Na3(VSe2)5",
"formula_anonymous": "A3B5C10",
"energy": -103.85651019,
"energy_per_atom": -5.769806121666666,
"energy_above_hull": null,
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"energy_uncorrected": -99.13651019,
"band_gap": 0.1373000000000002,
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"is_magnetic": true,
"total_magnetization": 8.0005997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.649000Z",
"spacegroup": 1
},
{
"id": "mp-1334067",
"created_at": "2022-09-04T14:39:17.219723Z",
"structure_string": "Li20 La12 Nb8 O48\n1.0\n11.140701 0.000000 0.000000\n-3.680280 10.521353 0.000000\n-3.661663 -5.279802 9.125888\nLi La Nb O\n20 12 8 48\ndirect\n0.110013 0.049869 0.699612 Li\n0.041109 0.795456 0.387825 Li\n0.692678 0.445755 0.107454 Li\n0.451549 0.055908 0.252340 Li\n0.925326 0.744923 0.963670 Li\n0.284967 0.754564 0.322987 Li\n0.439894 0.394181 0.809055 Li\n0.616718 0.325966 0.921074 Li\n0.755559 0.174471 0.211230 Li\n0.249334 0.449815 0.440693 Li\n0.388634 0.673368 0.088244 Li\n0.237571 0.825772 0.779524 Li\n0.696921 0.252975 0.696081 Li\n0.090994 0.264757 0.018545 Li\n0.809489 0.699131 0.251691 Li\n0.321896 0.578578 0.890820 Li\n0.534296 0.922644 0.753813 Li\n0.958565 0.207712 0.611361 Li\n0.786825 0.101448 0.466115 Li\n0.890622 0.977746 0.282093 Li\n0.374800 0.250581 0.374909 La\n0.251176 0.124332 0.127206 La\n0.250879 0.616382 0.629012 La\n0.130004 0.749828 0.119999 La\n0.884727 0.634549 0.738938 La\n0.376033 0.129056 0.749922 La\n0.615920 0.855526 0.252127 La\n0.118593 0.369768 0.250879 La\n0.882587 0.252573 0.873365 La\n0.748240 0.375399 0.377562 La\n0.746241 0.872166 0.876906 La\n0.636294 0.742355 0.613147 La\n0.004350 0.001205 0.501254 Nb\n0.004725 0.004992 0.994621 Nb\n0.502936 0.502809 0.003036 Nb\n0.992396 0.498818 0.500715 Nb\n0.504458 0.004285 0.997667 Nb\n0.496874 0.491203 0.501832 Nb\n0.995508 0.498847 0.002247 Nb\n0.494100 0.993392 0.499532 Nb\n0.324846 0.299651 0.576786 O\n0.075937 0.671720 0.808682 O\n0.327345 0.021614 0.598187 O\n0.092775 0.420503 0.885574 O\n0.203771 0.034373 0.376508 O\n0.596315 0.471712 0.327697 O\n0.093913 0.674626 0.514369 O\n0.019195 0.906231 0.177100 O\n0.075552 0.400662 0.611727 O\n0.486344 0.307187 0.112492 O\n0.577283 0.188199 0.321895 O\n0.202308 0.173960 0.921336 O\n0.707308 0.618723 0.968108 O\n0.412938 0.877641 0.411470 O\n0.300257 0.917729 0.175621 O\n0.614196 0.518450 0.807661 O\n0.116403 0.917666 0.900882 O\n0.178443 0.582530 0.301718 O\n0.403212 0.606774 0.423135 O\n0.972347 0.888817 0.701885 O\n0.480562 0.180390 0.906826 O\n0.822865 0.406139 0.979755 O\n0.616176 0.090729 0.083298 O\n0.114432 0.200647 0.479064 O\n0.386332 0.914343 0.913077 O\n0.172195 0.587489 0.029631 O\n0.892799 0.804363 0.522137 O\n0.022013 0.117424 0.302416 O\n0.575380 0.375637 0.598434 O\n0.521781 0.827215 0.089776 O\n0.375551 0.472705 0.199862 O\n0.824528 0.412527 0.706156 O\n0.892747 0.089430 0.090816 O\n0.701019 0.086882 0.822422 O\n0.811047 0.824949 0.078416 O\n0.303798 0.385802 0.016789 O\n0.599097 0.109262 0.577418 O\n0.921834 0.594458 0.375349 O\n0.412614 0.798266 0.679525 O\n0.516172 0.696629 0.890537 O\n0.970154 0.085847 0.826078 O\n0.900134 0.318396 0.482877 O\n0.905746 0.585310 0.117166 O\n0.421596 0.532317 0.672352 O\n0.797923 0.971245 0.616358 O\n0.680874 0.977237 0.401360 O\n0.910032 0.323642 0.204205 O\n0.672309 0.702148 0.405464 O\n",
"nsites": 88,
"nelements": 4,
"elements": [
"Li",
"La",
"Nb",
"O"
],
"chemical_system": "La-Li-Nb-O",
"density": 5.149004397567236,
"density_atomic": 0.08226657701062731,
"volume": 1069.6932241222585,
"volume_molar": 7.320276324639168,
"formula_full": "Li20 La12 Nb8 O48",
"formula_reduced": "Li5La3Nb2O12",
"formula_anonymous": "A2B3C5D12",
"energy": -255.99141878,
"energy_per_atom": -2.908993395227273,
"energy_above_hull": null,
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"energy_uncorrected": -248.26341878,
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"updated_at": "2021-11-28T01:34:34.014000Z",
"spacegroup": 1
},
{
"id": "mp-1177305",
"created_at": "2022-09-04T14:39:17.219010Z",
"structure_string": "Li8 Ti7 Fe9 P24 O96\n1.0\n8.687769 -0.000798 -0.000226\n-0.000784 8.826919 0.002644\n-0.000628 0.007233 24.377472\nLi Ti Fe P O\n8 7 9 24 96\ndirect\n0.032527 0.470078 0.214686 Li\n0.033076 0.030155 0.714199 Li\n0.467762 0.529775 0.714476 Li\n0.467550 0.970183 0.214636 Li\n0.532310 0.470134 0.285445 Li\n0.532488 0.030595 0.785003 Li\n0.967493 0.970427 0.285583 Li\n0.966493 0.531293 0.785445 Li\n0.001030 0.221280 0.066887 Ti\n0.001497 0.279206 0.566203 Ti\n0.499776 0.720521 0.066763 Ti\n0.498735 0.779234 0.566222 Ti\n0.501370 0.220861 0.433812 Ti\n0.500009 0.278974 0.933373 Ti\n0.998670 0.720963 0.433730 Ti\n0.000233 0.288417 0.319192 Fe\n0.999724 0.211464 0.818908 Fe\n0.499356 0.711903 0.818882 Fe\n0.499736 0.788422 0.319233 Fe\n0.500393 0.288389 0.180925 Fe\n0.500354 0.211857 0.680740 Fe\n0.999454 0.780618 0.932835 Fe\n0.999151 0.788675 0.181400 Fe\n0.000201 0.711801 0.680212 Fe\n0.142318 0.145843 0.198620 P\n0.142221 0.354508 0.698442 P\n0.150094 0.869486 0.054434 P\n0.150141 0.630216 0.553538 P\n0.213693 0.500120 0.877490 P\n0.214284 0.999034 0.377160 P\n0.285695 0.499052 0.377138 P\n0.287546 0.000172 0.877032 P\n0.349872 0.369880 0.053947 P\n0.350309 0.130317 0.553750 P\n0.357653 0.645613 0.198538 P\n0.357884 0.854109 0.698306 P\n0.642129 0.145736 0.301617 P\n0.642194 0.354389 0.801521 P\n0.649580 0.630183 0.946360 P\n0.649747 0.869591 0.446136 P\n0.714175 0.500720 0.622558 P\n0.714229 0.999331 0.122808 P\n0.786001 0.499191 0.122873 P\n0.785648 0.000969 0.622618 P\n0.850288 0.369575 0.446133 P\n0.850410 0.130701 0.946557 P\n0.857660 0.645629 0.301681 P\n0.857274 0.854359 0.800634 P\n0.071320 0.770699 0.010989 O\n0.072015 0.726525 0.508560 O\n0.081872 0.514247 0.713589 O\n0.081809 0.986325 0.213947 O\n0.080961 0.263817 0.240435 O\n0.081143 0.236601 0.740533 O\n0.083202 0.198738 0.141908 O\n0.083041 0.301428 0.641787 O\n0.098938 0.821408 0.111637 O\n0.096149 0.682146 0.609896 O\n0.101919 0.086214 0.339423 O\n0.101437 0.414502 0.839134 O\n0.114218 0.039084 0.046212 O\n0.113917 0.461034 0.545526 O\n0.115210 0.903877 0.417035 O\n0.117136 0.590630 0.918874 O\n0.174079 0.348083 0.048516 O\n0.174307 0.152503 0.548329 O\n0.179475 0.856988 0.700265 O\n0.179285 0.642833 0.200514 O\n0.181377 0.604307 0.410685 O\n0.185985 0.895711 0.911266 O\n0.192041 0.392409 0.340540 O\n0.190636 0.106640 0.840869 O\n0.307918 0.892463 0.340596 O\n0.307487 0.608105 0.840980 O\n0.318641 0.104277 0.410763 O\n0.319238 0.392408 0.909670 O\n0.320655 0.142907 0.200356 O\n0.320668 0.357257 0.700281 O\n0.326304 0.848295 0.048334 O\n0.326018 0.652295 0.547960 O\n0.384617 0.403671 0.416984 O\n0.388287 0.095931 0.916375 O\n0.386326 0.539259 0.045883 O\n0.386087 0.961124 0.545608 O\n0.398100 0.586182 0.339380 O\n0.399412 0.914830 0.838577 O\n0.404585 0.318105 0.110184 O\n0.404682 0.182195 0.610114 O\n0.416808 0.698585 0.141881 O\n0.416778 0.801264 0.641606 O\n0.419021 0.763533 0.240448 O\n0.419167 0.736126 0.740292 O\n0.418187 0.013977 0.713431 O\n0.417849 0.485851 0.213679 O\n0.426937 0.273575 0.008689 O\n0.428118 0.226581 0.508679 O\n0.571909 0.773459 0.491273 O\n0.571430 0.727259 0.991360 O\n0.581949 0.514270 0.786420 O\n0.582064 0.985935 0.286404 O\n0.580721 0.263485 0.259609 O\n0.580742 0.236862 0.759483 O\n0.583313 0.198536 0.358238 O\n0.583870 0.301261 0.858245 O\n0.593885 0.682203 0.889995 O\n0.595485 0.817916 0.389892 O\n0.601928 0.086114 0.160687 O\n0.601994 0.413842 0.660536 O\n0.613900 0.038766 0.454316 O\n0.608584 0.461765 0.954272 O\n0.614963 0.596097 0.582734 O\n0.614526 0.904237 0.082912 O\n0.674423 0.347511 0.451657 O\n0.675218 0.157114 0.952377 O\n0.679324 0.642901 0.299644 O\n0.678559 0.857095 0.799001 O\n0.681682 0.604611 0.089257 O\n0.681283 0.895637 0.589152 O\n0.692204 0.392451 0.159448 O\n0.692098 0.107936 0.659424 O\n0.808485 0.607796 0.659069 O\n0.807782 0.891748 0.159231 O\n0.818333 0.104553 0.089172 O\n0.818598 0.395501 0.589068 O\n0.820532 0.143085 0.299662 O\n0.820755 0.357219 0.799748 O\n0.824335 0.646666 0.952804 O\n0.825599 0.847533 0.451671 O\n0.884430 0.096694 0.582727 O\n0.884888 0.404076 0.082915 O\n0.886121 0.538759 0.454304 O\n0.881015 0.961825 0.955460 O\n0.898743 0.586180 0.160557 O\n0.898641 0.914217 0.660295 O\n0.904945 0.180982 0.889899 O\n0.904585 0.317991 0.389901 O\n0.916551 0.698427 0.358296 O\n0.916129 0.798452 0.856509 O\n0.919064 0.763738 0.259767 O\n0.916831 0.737289 0.758025 O\n0.917946 0.486062 0.286406 O\n0.917028 0.014567 0.785723 O\n0.928175 0.273419 0.491261 O\n0.930638 0.226456 0.991297 O\n",
"nsites": 144,
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"elements": [
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"Ti",
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"P",
"O"
],
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"density": 2.8180371160858,
"density_atomic": 0.07702939059680872,
"volume": 1869.4163212809558,
"volume_molar": 7.817977934580068,
"formula_full": "Li8 Ti7 Fe9 P24 O96",
"formula_reduced": "Li8Ti7Fe9(PO4)24",
"formula_anonymous": "A7B8C9D24E96",
"energy": -1124.78228759,
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"updated_at": "2021-11-28T01:34:37.705000Z",
"spacegroup": 1
},
{
"id": "mp-1174809",
"created_at": "2022-09-04T14:39:17.328642Z",
"structure_string": "Li6 Mn3 Co1 O10\n1.0\n2.990571 0.000000 0.000000\n-0.423356 6.005230 0.000000\n-1.227656 -1.422194 10.183612\nLi Mn Co O\n6 3 1 10\ndirect\n0.996630 0.497477 0.995031 Li\n0.598105 0.303431 0.200071 Li\n0.393296 0.689398 0.789326 Li\n0.808591 0.889517 0.606740 Li\n0.206571 0.109213 0.408580 Li\n0.793685 0.412955 0.605603 Li\n0.995876 0.003020 0.996144 Mn\n0.208647 0.593863 0.408484 Mn\n0.607549 0.796204 0.198742 Mn\n0.386700 0.208489 0.789043 Co\n0.461691 0.240334 0.983784 O\n0.064299 0.042522 0.194154 O\n0.868851 0.428941 0.799713 O\n0.289163 0.648136 0.586801 O\n0.725051 0.818770 0.394979 O\n0.534251 0.760497 0.006575 O\n0.142209 0.559308 0.209776 O\n0.928039 0.964856 0.805625 O\n0.311210 0.152067 0.618836 O\n0.679587 0.381002 0.401991 O\n",
"nsites": 20,
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"elements": [
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],
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"density_atomic": 0.10935644621711346,
"volume": 182.88816701571042,
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"formula_full": "Li6 Mn3 Co1 O10",
"formula_reduced": "Li6Mn3CoO10",
"formula_anonymous": "AB3C6D10",
"energy": -135.33072786,
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