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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-spacegroup&page=11562",
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"results": [
{
"id": "mp-1664776",
"created_at": "2022-09-04T14:45:57.796713Z",
"structure_string": "Li4 Mn3 Nb3 Sb2 O16\n1.0\n6.323601 0.131283 -0.011541\n-3.049231 5.348405 0.018383\n-0.028690 0.019274 10.552705\nLi Mn Nb Sb O\n4 3 3 2 16\ndirect\n0.337323 0.674116 0.889116 Li\n0.988644 0.989731 0.003072 Li\n0.999707 0.996431 0.486417 Li\n0.693859 0.351146 0.393782 Li\n0.167213 0.831267 0.216927 Mn\n0.161953 0.335707 0.216863 Mn\n0.328327 0.166340 0.705579 Mn\n0.648214 0.819504 0.233105 Nb\n0.821424 0.658944 0.718452 Nb\n0.821671 0.161442 0.716916 Nb\n0.288592 0.647223 0.497885 Sb\n0.645482 0.316063 0.023935 Sb\n0.129541 0.824143 0.596007 O\n0.053316 0.546407 0.345473 O\n0.347564 0.697669 0.119241 O\n0.992938 0.974532 0.305473 O\n0.988470 0.993190 0.817100 O\n0.123888 0.305437 0.591146 O\n0.538691 0.995738 0.336116 O\n0.514156 0.524414 0.330393 O\n0.307752 0.136735 0.108298 O\n0.724417 0.864549 0.607163 O\n0.528408 0.521018 0.807771 O\n0.529811 0.013618 0.808436 O\n0.696742 0.352198 0.606689 O\n0.816493 0.664218 0.105139 O\n0.980394 0.487693 0.815907 O\n0.825007 0.150824 0.105436 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Nb",
"Sb",
"O"
],
"chemical_system": "Li-Mn-Nb-O-Sb",
"density": 4.463994596122181,
"density_atomic": 0.07753528595995937,
"volume": 361.1259009795838,
"volume_molar": 7.766967884931698,
"formula_full": "Li4 Mn3 Nb3 Sb2 O16",
"formula_reduced": "Li4Mn3Nb3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.20543202,
"energy_per_atom": -7.864479715,
"energy_above_hull": null,
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"energy_uncorrected": -204.20943202,
"band_gap": 0.6898,
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"is_magnetic": true,
"total_magnetization": 13.999865,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:08.642000Z",
"spacegroup": 1
},
{
"id": "mp-760348",
"created_at": "2022-09-04T14:45:58.016452Z",
"structure_string": "Li10 Zn3 Ge4 O16\n1.0\n5.374190 0.000000 0.000000\n-0.169907 6.489134 0.000000\n-0.359356 -0.390753 11.043672\nLi Zn Ge O\n10 3 4 16\ndirect\n0.352130 0.742856 0.921714 Li\n0.853397 0.546868 0.825141 Li\n0.827318 0.264145 0.568012 Li\n0.176342 0.925904 0.509780 Li\n0.826708 0.034941 0.342896 Li\n0.390311 0.948043 0.185546 Li\n0.075837 0.201727 0.197522 Li\n0.374889 0.543136 0.169092 Li\n0.633196 0.257275 0.064745 Li\n0.010989 0.474499 0.055052 Li\n0.680160 0.028499 0.819736 Zn\n0.225036 0.496210 0.655502 Zn\n0.851671 0.548161 0.334681 Zn\n0.188840 0.239396 0.907377 Ge\n0.707531 0.762213 0.582288 Ge\n0.339876 0.275567 0.399923 Ge\n0.851976 0.808636 0.081170 Ge\n0.732850 0.777148 0.929208 O\n0.852768 0.262444 0.920304 O\n0.316327 0.016057 0.848645 O\n0.249206 0.477109 0.834751 O\n0.844939 0.546725 0.652137 O\n0.788138 0.004639 0.655908 O\n0.382682 0.720052 0.573948 O\n0.217140 0.246622 0.545829 O\n0.672248 0.298805 0.400285 O\n0.836851 0.796691 0.437450 O\n0.227325 0.042625 0.323499 O\n0.194378 0.458443 0.304722 O\n0.733649 0.574940 0.153811 O\n0.753443 0.030200 0.161762 O\n0.176964 0.755628 0.082428 O\n0.279316 0.284008 0.065108 O\n",
"nsites": 33,
"nelements": 4,
"elements": [
"Li",
"Zn",
"Ge",
"O"
],
"chemical_system": "Ge-Li-O-Zn",
"density": 3.5018060346090913,
"density_atomic": 0.08568418722617406,
"volume": 385.13523986511535,
"volume_molar": 7.028298866982086,
"formula_full": "Li10 Zn3 Ge4 O16",
"formula_reduced": "Li10Zn3(GeO4)4",
"formula_anonymous": "A3B4C10D16",
"energy": -191.35832228,
"energy_per_atom": -5.798737038787879,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -180.36632228,
"band_gap": 2.7679,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.104000Z",
"spacegroup": 1
},
{
"id": "mp-1075719",
"created_at": "2022-09-04T14:45:58.125222Z",
"structure_string": "Mg10 Si18\n1.0\n6.645580 0.000000 0.000000\n-2.735559 -6.182622 0.000000\n-2.800554 0.206737 -12.975349\nMg Si\n10 18\ndirect\n0.657246 0.003376 0.682442 Mg\n0.685662 0.025991 0.410205 Mg\n0.236302 0.705560 0.529099 Mg\n0.748344 0.470078 0.365828 Mg\n0.798962 0.714506 0.558786 Mg\n0.220083 0.230440 0.493819 Mg\n0.363632 0.061788 0.084137 Mg\n0.547698 0.132104 0.871759 Mg\n0.983364 0.567656 0.050905 Mg\n0.066625 0.270177 0.884397 Mg\n0.241821 0.348320 0.190086 Si\n0.535037 0.507089 0.954249 Si\n0.989280 0.892844 0.364182 Si\n0.169732 0.295485 0.695917 Si\n0.826706 0.284583 0.210914 Si\n0.071560 0.743655 0.808719 Si\n0.341161 0.736642 0.235611 Si\n0.785405 0.420575 0.728216 Si\n0.729063 0.869375 0.202253 Si\n0.225112 0.972460 0.674260 Si\n0.772552 0.805712 0.863979 Si\n0.902816 0.113087 0.065988 Si\n0.322538 0.079617 0.301745 Si\n0.527623 0.583576 0.704320 Si\n0.336127 0.737421 0.959124 Si\n0.616570 0.498240 0.138364 Si\n0.868984 0.332320 0.568501 Si\n0.429584 0.597291 0.401948 Si\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Mg",
"Si"
],
"chemical_system": "Mg-Si",
"density": 2.3316744041985915,
"density_atomic": 0.052521049769087655,
"volume": 533.1195801131906,
"volume_molar": 11.466146976263325,
"formula_full": "Mg10 Si18",
"formula_reduced": "Mg5Si9",
"formula_anonymous": "A5B9",
"energy": -108.30771285,
"energy_per_atom": -3.8681326017857143,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -109.58571285,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0017725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:09.997000Z",
"spacegroup": 1
},
{
"id": "mp-757689",
"created_at": "2022-09-04T14:45:58.177271Z",
"structure_string": "Li14 V6 P16 O58\n1.0\n-9.789366 0.000000 0.000000\n-4.879333 -8.504635 0.000000\n-0.070094 -0.000693 13.800056\nLi V P O\n14 6 16 58\ndirect\n0.234909 0.093472 0.561641 Li\n0.095273 0.670251 0.562560 Li\n0.332570 0.333617 0.382410 Li\n0.331204 0.334674 0.882829 Li\n0.233403 0.670770 0.061599 Li\n0.672692 0.091659 0.061804 Li\n0.670142 0.231567 0.563501 Li\n0.327918 0.905637 0.937422 Li\n0.766149 0.330429 0.936167 Li\n0.663242 0.670701 0.616128 Li\n0.669666 0.668764 0.116901 Li\n0.905325 0.328881 0.437455 Li\n0.999955 0.998764 0.997098 Li\n0.009355 0.972235 0.498271 Li\n0.433379 0.569787 0.254620 V\n0.565245 0.434314 0.748664 V\n0.434714 0.000761 0.749815 V\n0.567760 0.995900 0.254053 V\n0.004538 0.432863 0.244390 V\n0.996156 0.570064 0.754115 V\n0.086427 0.226027 0.844214 P\n0.224247 0.089974 0.343332 P\n0.087980 0.684069 0.345710 P\n0.337293 0.333259 0.127285 P\n0.329342 0.334752 0.625088 P\n0.226625 0.683217 0.844361 P\n0.312495 0.775317 0.655113 P\n0.684875 0.088559 0.846787 P\n0.315299 0.910845 0.155763 P\n0.683026 0.225744 0.342809 P\n0.773322 0.317608 0.156427 P\n0.670174 0.663385 0.372596 P\n0.666881 0.665716 0.875021 P\n0.913218 0.316854 0.654734 P\n0.776129 0.912749 0.656905 P\n0.912923 0.775871 0.157631 P\n0.004001 0.231979 0.564403 O\n0.077688 0.255782 0.339356 O\n0.230565 0.992866 0.064800 O\n0.252046 0.079769 0.843945 O\n0.104301 0.373984 0.832472 O\n0.186498 0.337555 0.171595 O\n0.101663 0.520528 0.332132 O\n0.010248 0.775941 0.073496 O\n0.079698 0.665855 0.840155 O\n0.326004 0.186023 0.664430 O\n0.372654 0.108322 0.329720 O\n0.182033 0.484810 0.667566 O\n0.335188 0.336749 0.018516 O\n0.324513 0.337765 0.516122 O\n0.336834 0.482545 0.167281 O\n0.517854 0.108123 0.832586 O\n0.484446 0.182028 0.166504 O\n0.256431 0.659495 0.337200 O\n0.217966 0.789493 0.754305 O\n0.212178 0.777959 0.572966 O\n0.227950 0.771669 0.934196 O\n0.373997 0.518011 0.833223 O\n0.482792 0.329920 0.662241 O\n0.335432 0.743618 0.160032 O\n0.518090 0.374451 0.330304 O\n0.662568 0.081895 0.340788 O\n0.211266 0.999854 0.249670 O\n0.223949 0.006189 0.434354 O\n0.780632 0.008244 0.573302 O\n0.331384 0.922176 0.656145 O\n0.478920 0.627539 0.665751 O\n0.667327 0.254382 0.841003 O\n0.524264 0.660213 0.328758 O\n0.622569 0.480286 0.168236 O\n0.769474 0.228640 0.067811 O\n0.769190 0.232867 0.431991 O\n0.788594 0.212028 0.249899 O\n0.748413 0.333044 0.655069 O\n0.515692 0.814421 0.835389 O\n0.480102 0.895249 0.168717 O\n0.670798 0.513935 0.836695 O\n0.668202 0.667309 0.983411 O\n0.670782 0.658974 0.480892 O\n0.819910 0.516302 0.331426 O\n0.627343 0.894573 0.666644 O\n0.663345 0.814300 0.329003 O\n0.916320 0.340026 0.158633 O\n0.005275 0.209906 0.745660 O\n0.988556 0.224696 0.927441 O\n0.895214 0.481983 0.668061 O\n0.813547 0.664983 0.828821 O\n0.894417 0.627695 0.168422 O\n0.745983 0.921066 0.157660 O\n0.769154 0.005814 0.937578 O\n0.789870 0.994362 0.755101 O\n0.922360 0.746206 0.658172 O\n0.007878 0.768332 0.437156 O\n0.992943 0.792021 0.255368 O\n",
"nsites": 94,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.6396502408379314,
"density_atomic": 0.08181572052856749,
"volume": 1148.9234512966018,
"volume_molar": 7.360615687418235,
"formula_full": "Li14 V6 P16 O58",
"formula_reduced": "Li7V3P8O29",
"formula_anonymous": "A3B7C8D29",
"energy": -706.59520781,
"energy_per_atom": -7.516970295851064,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:11.495000Z",
"spacegroup": 1
},
{
"id": "mp-778603",
"created_at": "2022-09-04T14:45:58.217506Z",
"structure_string": "Fe10 O4 F16\n1.0\n4.807951 0.000000 0.000000\n0.076214 5.780058 0.000000\n0.131543 2.700389 13.301813\nFe O F\n10 4 16\ndirect\n0.485303 0.501241 0.008580 Fe\n0.489014 0.722391 0.396743 Fe\n0.466931 0.119268 0.203642 Fe\n0.517188 0.281680 0.596153 Fe\n0.544610 0.916738 0.795301 Fe\n0.013871 0.190166 0.396177 Fe\n0.984931 0.381511 0.802265 Fe\n0.012675 0.592081 0.197429 Fe\n0.989874 0.805210 0.606450 Fe\n0.992206 0.002658 0.995011 Fe\n0.798090 0.103381 0.856252 O\n0.682972 0.970275 0.665100 O\n0.316120 0.007170 0.337626 O\n0.300288 0.402033 0.145526 O\n0.792381 0.270996 0.262942 F\n0.815558 0.476812 0.665567 F\n0.800333 0.682022 0.056857 F\n0.797439 0.864732 0.462159 F\n0.700267 0.165426 0.070617 F\n0.692198 0.404467 0.452248 F\n0.703013 0.591666 0.856951 F\n0.702610 0.778281 0.260974 F\n0.295057 0.213547 0.743121 F\n0.310358 0.833608 0.928133 F\n0.311004 0.625129 0.536889 F\n0.209667 0.920411 0.136552 F\n0.199751 0.337478 0.931421 F\n0.176143 0.118340 0.539247 F\n0.207132 0.526250 0.346483 F\n0.193012 0.695034 0.747584 F\n",
"nsites": 30,
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"elements": [
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"O",
"F"
],
"chemical_system": "F-Fe-O",
"density": 4.161548053999419,
"density_atomic": 0.08115554288745737,
"volume": 369.66051772461884,
"volume_molar": 7.420492237173765,
"formula_full": "Fe10 O4 F16",
"formula_reduced": "Fe5(OF4)2",
"formula_anonymous": "A2B5C8",
"energy": -204.92727518,
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"updated_at": "2021-11-28T01:37:09.247000Z",
"spacegroup": 1
},
{
"id": "mp-772078",
"created_at": "2022-09-04T14:45:59.169337Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.786306 0.000000 0.000000\n-4.877461 -8.496764 0.000000\n-0.159447 0.030594 -13.985551\nLi V P O\n12 6 16 58\ndirect\n0.770476 0.090030 0.056709 Li\n0.333886 0.097012 0.564630 Li\n0.671205 0.331396 0.885435 Li\n0.329266 0.239554 0.060944 Li\n0.917046 0.683914 0.058774 Li\n0.232376 0.333975 0.443520 Li\n0.761061 0.666946 0.562452 Li\n0.667251 0.766338 0.938824 Li\n0.666474 0.905631 0.440027 Li\n0.093693 0.768135 0.445343 Li\n0.047525 0.029730 0.985685 Li\n0.987033 0.043599 0.516302 Li\n0.432119 0.433188 0.250967 V\n0.559754 0.560306 0.750174 V\n0.999963 0.435670 0.750070 V\n0.001119 0.558143 0.249390 V\n0.563976 0.000582 0.246012 V\n0.436555 0.996151 0.749862 V\n0.781021 0.090767 0.839176 P\n0.916517 0.219942 0.341594 P\n0.316374 0.086799 0.346214 P\n0.667413 0.334978 0.128466 P\n0.665092 0.334012 0.630997 P\n0.316401 0.219524 0.843260 P\n0.220372 0.308357 0.660257 P\n0.909479 0.688665 0.845157 P\n0.081270 0.302650 0.154874 P\n0.773951 0.685501 0.341806 P\n0.682601 0.770272 0.157207 P\n0.334260 0.666657 0.368865 P\n0.334252 0.667088 0.869923 P\n0.688755 0.911745 0.654831 P\n0.082377 0.774255 0.659137 P\n0.219516 0.917680 0.159918 P\n0.779935 0.987253 0.565377 O\n0.743988 0.080122 0.337307 O\n0.996867 0.200992 0.070467 O\n0.922710 0.255713 0.839780 O\n0.629691 0.104979 0.828585 O\n0.679015 0.189009 0.164295 O\n0.473338 0.092587 0.329023 O\n0.209972 0.012610 0.078964 O\n0.344747 0.080196 0.838609 O\n0.809191 0.332195 0.679327 O\n0.917381 0.377155 0.332195 O\n0.512065 0.187298 0.670599 O\n0.671257 0.341762 0.020895 O\n0.663161 0.339699 0.524498 O\n0.513110 0.324129 0.166785 O\n0.896741 0.525098 0.835261 O\n0.813217 0.487670 0.171635 O\n0.337032 0.254409 0.342564 O\n0.205706 0.203337 0.752748 O\n0.213247 0.214464 0.571535 O\n0.233147 0.218417 0.932938 O\n0.479483 0.372245 0.831285 O\n0.671879 0.487768 0.673173 O\n0.255230 0.338343 0.159964 O\n0.619132 0.527546 0.326197 O\n0.917350 0.661462 0.342727 O\n0.000332 0.198565 0.249054 O\n0.003873 0.206841 0.426709 O\n0.992752 0.778824 0.570649 O\n0.083658 0.339463 0.661895 O\n0.380092 0.462019 0.667669 O\n0.740249 0.663920 0.841818 O\n0.321033 0.509020 0.330816 O\n0.525305 0.619039 0.172269 O\n0.767469 0.767770 0.068366 O\n0.768520 0.770897 0.430189 O\n0.794301 0.793775 0.249173 O\n0.659345 0.742012 0.660540 O\n0.185003 0.525711 0.824596 O\n0.077646 0.457561 0.164380 O\n0.483186 0.663727 0.828926 O\n0.344319 0.675345 0.975855 O\n0.328715 0.666869 0.475343 O\n0.486184 0.809769 0.327483 O\n0.084056 0.619744 0.668065 O\n0.187079 0.672834 0.323548 O\n0.661845 0.917331 0.156717 O\n0.796537 0.000252 0.747665 O\n0.774940 0.997330 0.927542 O\n0.536371 0.918676 0.662779 O\n0.342462 0.816207 0.820941 O\n0.381263 0.922652 0.170110 O\n0.083777 0.746354 0.158227 O\n0.991909 0.780231 0.933753 O\n0.997075 0.793408 0.752460 O\n0.249722 0.918086 0.658869 O\n0.234631 0.003092 0.437064 O\n0.199356 0.991289 0.258723 O\n",
"nsites": 92,
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"elements": [
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"V",
"P",
"O"
],
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"density": 2.588045598033121,
"density_atomic": 0.07911082236051727,
"volume": 1162.9255929200842,
"volume_molar": 7.612284363012181,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -692.4456767600001,
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