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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_above_hull&page=12140",
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"results": [
{
"id": "mp-1651930",
"created_at": "2022-09-04T14:40:15.899206Z",
"structure_string": "Li14 Mn8 Co2 O24\n1.0\n3.073941 0.031554 4.986498\n-1.046875 14.428198 0.649183\n-5.890768 -0.260172 0.241291\nLi Mn Co O\n14 8 2 24\ndirect\n0.168195 0.335124 0.327670 Li\n0.169844 0.340880 0.836969 Li\n0.673522 0.827857 0.333587 Li\n0.671311 0.829699 0.836391 Li\n0.165727 0.832546 0.833473 Li\n0.164428 0.832222 0.333182 Li\n0.347926 0.171984 0.182943 Li\n0.344931 0.169369 0.678605 Li\n0.987440 0.496970 0.484038 Li\n0.988057 0.498288 0.982753 Li\n0.841337 0.673577 0.179331 Li\n0.839091 0.672763 0.677642 Li\n0.492905 0.993234 0.992144 Li\n0.486737 0.988612 0.481807 Li\n0.009393 0.993489 0.001192 Mn\n0.006286 0.993779 0.498435 Mn\n0.322184 0.673918 0.171488 Mn\n0.321800 0.674114 0.670184 Mn\n0.835311 0.165965 0.666341 Mn\n0.835669 0.165208 0.165312 Mn\n0.495919 0.499840 0.497759 Mn\n0.495571 0.501328 0.997754 Mn\n0.667606 0.334590 0.329821 Co\n0.674377 0.334773 0.833734 Co\n0.137638 0.076491 0.309435 O\n0.132758 0.075367 0.805483 O\n0.191727 0.593666 0.861946 O\n0.188435 0.594369 0.361327 O\n0.982935 0.236323 0.479553 O\n0.998814 0.245337 0.019076 O\n0.340714 0.421290 0.152248 O\n0.340079 0.417291 0.648549 O\n0.822646 0.414913 0.662088 O\n0.811899 0.415615 0.137559 O\n0.530004 0.247802 0.526163 O\n0.529094 0.244095 0.006666 O\n0.638272 0.582996 0.343126 O\n0.634423 0.583565 0.835973 O\n0.689151 0.082900 0.320143 O\n0.702356 0.089649 0.857457 O\n0.481327 0.741290 0.995004 O\n0.479593 0.741743 0.493464 O\n0.854058 0.926229 0.177709 O\n0.848613 0.928608 0.677899 O\n0.307996 0.924622 0.150623 O\n0.310014 0.926323 0.653543 O\n0.021147 0.744354 0.015639 O\n0.020741 0.745034 0.516773 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9527422807114876,
"density_atomic": 0.11001995076141581,
"volume": 436.2845071989769,
"volume_molar": 5.473680653665567,
"formula_full": "Li14 Mn8 Co2 O24",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -330.8714789,
"energy_per_atom": -6.893155810416666,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.234000Z",
"spacegroup": 1
},
{
"id": "mp-1200369",
"created_at": "2022-09-04T14:40:15.904789Z",
"structure_string": "Zn4 S4 O40\n1.0\n4.195911 3.188385 -0.505768\n4.195911 -3.188385 -0.505768\n-1.015296 0.000000 -24.205823\nZn S O\n4 4 40\ndirect\n0.000000 0.000000 0.500000 Zn\n0.000000 0.000000 0.000000 Zn\n0.075795 0.924205 0.250000 Zn\n0.924205 0.075795 0.750000 Zn\n0.382664 0.324170 0.385617 S\n0.675830 0.617336 0.114383 S\n0.617336 0.675830 0.614383 S\n0.324170 0.382664 0.885617 S\n0.094506 0.374153 0.378269 O\n0.625847 0.905494 0.121731 O\n0.905494 0.625847 0.621731 O\n0.374153 0.094506 0.878269 O\n0.507920 0.431638 0.337733 O\n0.568362 0.492080 0.162267 O\n0.492080 0.568362 0.662267 O\n0.431638 0.507920 0.837733 O\n0.415801 0.449954 0.438920 O\n0.550046 0.584199 0.061080 O\n0.584199 0.550046 0.561080 O\n0.449954 0.415801 0.938920 O\n0.510816 0.035911 0.394030 O\n0.964089 0.489184 0.105970 O\n0.489184 0.964089 0.605970 O\n0.035911 0.510816 0.894030 O\n0.870328 0.399417 0.462292 O\n0.600583 0.129672 0.037708 O\n0.129672 0.600583 0.537708 O\n0.399417 0.870328 0.962292 O\n0.152614 0.873103 0.427316 O\n0.126897 0.847386 0.072684 O\n0.847386 0.126897 0.572684 O\n0.873103 0.152614 0.927316 O\n0.739332 0.799084 0.483464 O\n0.200916 0.260668 0.016536 O\n0.260668 0.200916 0.516536 O\n0.799084 0.739332 0.983464 O\n0.676719 0.028457 0.225867 O\n0.971543 0.323281 0.274133 O\n0.323281 0.971543 0.774133 O\n0.028457 0.676719 0.725867 O\n0.085547 0.575167 0.216832 O\n0.424833 0.914453 0.283168 O\n0.914453 0.424833 0.783168 O\n0.575167 0.085547 0.716832 O\n0.869438 0.745837 0.301306 O\n0.254163 0.130562 0.198694 O\n0.130562 0.254163 0.698694 O\n0.745837 0.869438 0.801306 O\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Zn",
"S",
"O"
],
"chemical_system": "O-S-Zn",
"density": 2.6272128509351806,
"density_atomic": 0.0737401724499205,
"volume": 650.9341978091855,
"volume_molar": 8.166702843134582,
"formula_full": "Zn4 S4 O40",
"formula_reduced": "ZnSO10",
"formula_anonymous": "ABC10",
"energy": -221.9834313,
"energy_per_atom": -4.62465481875,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:34:55.719000Z",
"spacegroup": 15
},
{
"id": "mp-772882",
"created_at": "2022-09-04T14:40:15.910198Z",
"structure_string": "Dy8 Ge8 O28\n1.0\n6.819693 0.000000 0.000000\n-0.222110 6.841329 0.000000\n-0.426122 -1.058362 12.370792\nDy Ge O\n8 8 28\ndirect\n0.049241 0.332677 0.112356 Dy\n0.111615 0.091192 0.357380 Dy\n0.313841 0.833806 0.116502 Dy\n0.375040 0.210621 0.631534 Dy\n0.624960 0.789379 0.368466 Dy\n0.686159 0.166194 0.883498 Dy\n0.888385 0.908808 0.642620 Dy\n0.950759 0.667323 0.887644 Dy\n0.139021 0.622287 0.376882 Ge\n0.166735 0.142844 0.885052 Ge\n0.388590 0.723776 0.599787 Ge\n0.514956 0.338118 0.166689 Ge\n0.485044 0.661882 0.833311 Ge\n0.611410 0.276224 0.400213 Ge\n0.833265 0.857156 0.114948 Ge\n0.860979 0.377713 0.623118 Ge\n0.001902 0.665173 0.080902 O\n0.989740 0.977103 0.815809 O\n0.045844 0.217989 0.575953 O\n0.065176 0.402615 0.302425 O\n0.244026 0.094985 0.016048 O\n0.223912 0.909999 0.626879 O\n0.286391 0.794820 0.310465 O\n0.298541 0.558582 0.485899 O\n0.287634 0.714339 0.916184 O\n0.367534 0.208287 0.811835 O\n0.342136 0.496425 0.118093 O\n0.392855 0.137394 0.221234 O\n0.403081 0.157099 0.449606 O\n0.396358 0.543896 0.696743 O\n0.603642 0.456104 0.303257 O\n0.596919 0.842901 0.550394 O\n0.607145 0.862606 0.778766 O\n0.657864 0.503575 0.881907 O\n0.632466 0.791713 0.188165 O\n0.712366 0.285661 0.083816 O\n0.701459 0.441418 0.514101 O\n0.713609 0.205180 0.689535 O\n0.776088 0.090001 0.373121 O\n0.755974 0.905015 0.983952 O\n0.934824 0.597385 0.697575 O\n0.954156 0.782011 0.424047 O\n0.010260 0.022897 0.184191 O\n0.998098 0.334827 0.919098 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Dy",
"Ge",
"O"
],
"chemical_system": "Dy-Ge-O",
"density": 6.700929116745142,
"density_atomic": 0.07623420416157412,
"volume": 577.1687457606886,
"volume_molar": 7.899525975553453,
"formula_full": "Dy8 Ge8 O28",
"formula_reduced": "Dy2Ge2O7",
"formula_anonymous": "A2B2C7",
"energy": -345.84530505,
"energy_per_atom": -7.860120569318181,
"energy_above_hull": null,
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"energy_uncorrected": -326.60930505,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.680000Z",
"spacegroup": 2
},
{
"id": "mp-13400",
"created_at": "2022-09-04T14:40:15.912779Z",
"structure_string": "Sm1 Cu2 Ge2\n1.0\n-2.054226 2.054226 5.164868\n2.054226 -2.054226 5.164868\n2.054226 2.054226 -5.164868\nSm Cu Ge\n1 2 2\ndirect\n0.000000 0.000000 0.000000 Sm\n0.750000 0.250000 0.500000 Cu\n0.250000 0.750000 0.500000 Cu\n0.620969 0.620969 0.000000 Ge\n0.379031 0.379031 0.000000 Ge\n",
"nsites": 5,
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"elements": [
"Sm",
"Cu",
"Ge"
],
"chemical_system": "Cu-Ge-Sm",
"density": 8.051903483210896,
"density_atomic": 0.057352762717971816,
"volume": 87.17975844663576,
"volume_molar": 10.50017553576879,
"formula_full": "Sm1 Cu2 Ge2",
"formula_reduced": "Sm(CuGe)2",
"formula_anonymous": "AB2C2",
"energy": -24.81499816,
"energy_per_atom": -4.962999632,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -24.81499816,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 9.1e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.310000Z",
"spacegroup": 139
},
{
"id": "mp-1203019",
"created_at": "2022-09-04T14:40:15.914471Z",
"structure_string": "Ca6 Mn1 Si6 Pb2 S2 O32\n1.0\n6.405176 4.099848 -1.750244\n6.405176 -4.099848 -1.750244\n-0.271473 0.000000 -13.004132\nCa Mn Si Pb S O\n6 1 6 2 2 32\ndirect\n0.445390 0.445390 0.231747 Ca\n0.554610 0.554610 0.768253 Ca\n0.931246 0.466123 0.323818 Ca\n0.466123 0.931246 0.323818 Ca\n0.068754 0.533877 0.676182 Ca\n0.533877 0.068754 0.676182 Ca\n0.500000 0.500000 0.500000 Mn\n0.238673 0.238673 0.485006 Si\n0.761327 0.761327 0.514994 Si\n0.114631 0.761939 0.372230 Si\n0.761939 0.114631 0.372230 Si\n0.885369 0.238061 0.627770 Si\n0.238061 0.885369 0.627770 Si\n0.892552 0.892552 0.130429 Pb\n0.107448 0.107448 0.869571 Pb\n0.232761 0.232761 0.108458 S\n0.767239 0.767239 0.891542 S\n0.275071 0.275071 0.358126 O\n0.724929 0.724929 0.641874 O\n0.674355 0.674355 0.447291 O\n0.325645 0.325645 0.552709 O\n0.001188 0.682153 0.480130 O\n0.682153 0.001188 0.480130 O\n0.998812 0.317847 0.519870 O\n0.317847 0.998812 0.519870 O\n0.097714 0.684160 0.269952 O\n0.684160 0.097714 0.269952 O\n0.902286 0.315840 0.730048 O\n0.315840 0.902286 0.730048 O\n0.679867 0.342887 0.385816 O\n0.342887 0.679867 0.385816 O\n0.320133 0.657113 0.614184 O\n0.657113 0.320133 0.614184 O\n0.002398 0.002398 0.362683 O\n0.997602 0.997602 0.637317 O\n0.219560 0.219560 0.000320 O\n0.780440 0.780440 0.999680 O\n0.345248 0.345248 0.108368 O\n0.654752 0.654752 0.891632 O\n0.034732 0.331869 0.167461 O\n0.331869 0.034732 0.167461 O\n0.965268 0.668131 0.832539 O\n0.668131 0.965268 0.832539 O\n0.729669 0.729669 0.224809 O\n0.270331 0.270331 0.775191 O\n0.736970 0.360893 0.098997 O\n0.360893 0.736970 0.098997 O\n0.263030 0.639107 0.901003 O\n0.639107 0.263030 0.901003 O\n",
"nsites": 49,
"nelements": 6,
"elements": [
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"Mn",
"Si",
"Pb",
"S",
"O"
],
"chemical_system": "Ca-Mn-O-Pb-S-Si",
"density": 3.516100829476895,
"density_atomic": 0.07133711233148017,
"volume": 686.8794993034351,
"volume_molar": 8.4418061835992,
"formula_full": "Ca6 Mn1 Si6 Pb2 S2 O32",
"formula_reduced": "Ca6MnSi6Pb2(SO16)2",
"formula_anonymous": "AB2C2D6E6F32",
"energy": -348.7293483,
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"updated_at": "2021-11-28T01:34:52.277000Z",
"spacegroup": 12
},
{
"id": "mp-1009601",
"created_at": "2022-09-04T14:40:15.916502Z",
"structure_string": "Pd1 N1\n1.0\n1.508369 -2.612571 0.000000\n1.508369 2.612571 0.000000\n0.000000 0.000000 2.879205\nPd N\n1 1\ndirect\n0.666667 0.333333 0.000000 Pd\n0.000000 0.000000 0.500000 N\n",
"nsites": 2,
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"elements": [
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"N"
],
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"density": 8.812387782457836,
"density_atomic": 0.0881356703721102,
"volume": 22.69228782802659,
"volume_molar": 6.832807573340539,
"formula_full": "Pd1 N1",
"formula_reduced": "PdN",
"formula_anonymous": "AB",
"energy": -11.23825131,
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"energy_above_hull": null,
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"energy_uncorrected": -10.87725131,
"band_gap": 0.0,
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"is_magnetic": false,
"total_magnetization": 0.0068461,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.949000Z",
"spacegroup": 187
},
{
"id": "mp-772543",
"created_at": "2022-09-04T14:40:15.923762Z",
"structure_string": "Li4 Ti3 Mn2 V3 O16\n1.0\n2.928094 5.100690 0.000000\n-2.928094 5.100690 0.000000\n0.000000 0.055596 9.776821\nLi Ti Mn V O\n4 3 2 3 16\ndirect\n0.328664 0.328664 0.894554 Li\n0.003420 0.003420 0.995473 Li\n0.001213 0.001213 0.498470 Li\n0.665810 0.665810 0.393299 Li\n0.661671 0.165139 0.218393 Ti\n0.165139 0.661671 0.218393 Ti\n0.831391 0.831391 0.720511 Ti\n0.329212 0.329212 0.495492 Mn\n0.667061 0.667061 0.992085 Mn\n0.169058 0.169058 0.207966 V\n0.345630 0.813587 0.711748 V\n0.813587 0.345630 0.711748 V\n0.676840 0.162607 0.604239 O\n0.482729 0.482729 0.330553 O\n0.337252 0.337252 0.103986 O\n0.000541 0.000541 0.314487 O\n0.999671 0.999671 0.811325 O\n0.162607 0.676840 0.604239 O\n0.481050 0.035425 0.330457 O\n0.035425 0.481050 0.330457 O\n0.843183 0.843183 0.104130 O\n0.155788 0.155788 0.609766 O\n0.958166 0.513302 0.831489 O\n0.513302 0.958166 0.831489 O\n0.667616 0.667616 0.601733 O\n0.847131 0.322320 0.104783 O\n0.512405 0.512405 0.830625 O\n0.322320 0.847131 0.104783 O\n",
"nsites": 28,
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"elements": [
"Li",
"Ti",
"Mn",
"V",
"O"
],
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"density": 3.9236641252522193,
"density_atomic": 0.09587743954387085,
"volume": 292.0395051558295,
"volume_molar": 6.281082169746968,
"formula_full": "Li4 Ti3 Mn2 V3 O16",
"formula_reduced": "Li4Ti3Mn2V3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -231.76878151,
"energy_per_atom": -8.2774564825,
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"updated_at": "2021-11-28T01:34:54.792000Z",
"spacegroup": 8
},
{
"id": "mp-1981564",
"created_at": "2022-09-04T14:40:15.925293Z",
"structure_string": "Na2 Li2 Ti6 O14\n1.0\n0.000000 0.000000 5.770372\n5.667686 0.000000 2.885186\n0.000000 8.320150 2.885186\nNa Li Ti O\n2 2 6 14\ndirect\n0.130673 0.738653 0.500000 Na\n0.869327 0.261347 0.500000 Na\n0.183470 0.000000 0.133060 Li\n0.816530 0.000000 0.866940 Li\n0.750000 0.500000 0.000000 Ti\n0.250000 0.500000 0.000000 Ti\n0.481810 0.254099 0.282282 Ti\n0.735909 0.745901 0.282282 Ti\n0.518190 0.745901 0.717718 Ti\n0.264091 0.254099 0.717718 Ti\n0.397860 0.732188 0.972091 O\n0.130048 0.267812 0.972091 O\n0.602140 0.267812 0.027909 O\n0.869952 0.732188 0.027909 O\n0.631670 0.500000 0.236661 O\n0.131670 0.500000 0.236661 O\n0.368330 0.500000 0.763339 O\n0.868330 0.500000 0.763339 O\n0.829714 0.000000 0.288183 O\n0.382103 0.000000 0.288183 O\n0.170286 0.000000 0.711817 O\n0.617897 0.000000 0.711817 O\n0.334167 0.331666 0.500000 O\n0.665833 0.668334 0.500000 O\n",
"nsites": 24,
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"elements": [
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"Li",
"Ti",
"O"
],
"chemical_system": "Li-Na-O-Ti",
"density": 3.4848684762344724,
"density_atomic": 0.08820038732151876,
"volume": 272.1076486037673,
"volume_molar": 6.827794007352099,
"formula_full": "Na2 Li2 Ti6 O14",
"formula_reduced": "NaLiTi3O7",
"formula_anonymous": "ABC3D7",
"energy": -200.07213757,
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"updated_at": "2021-11-28T01:34:54.128000Z",
"spacegroup": 69
},
{
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