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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=44",
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"results": [
{
"id": "mp-771275",
"created_at": "2022-09-04T14:39:25.506137Z",
"structure_string": "Li4 V1 Te3 O12\n1.0\n5.215867 0.000000 0.000000\n0.033833 5.630359 0.000000\n0.016221 0.745596 7.716612\nLi V Te O\n4 1 3 12\ndirect\n0.500439 0.918978 0.718925 Li\n0.499465 0.927951 0.208160 Li\n0.996291 0.383718 0.196223 Li\n0.004166 0.416142 0.722504 Li\n0.001763 0.980597 0.977107 V\n0.993306 0.998183 0.495781 Te\n0.507813 0.465944 0.997299 Te\n0.498318 0.492000 0.495746 Te\n0.703822 0.872433 0.940700 O\n0.316530 0.842062 0.446138 O\n0.818946 0.706968 0.584556 O\n0.158584 0.733586 0.071803 O\n0.380678 0.513631 0.744519 O\n0.617780 0.526781 0.249367 O\n0.841988 0.326389 0.956329 O\n0.162456 0.319364 0.446761 O\n0.702552 0.187462 0.587314 O\n0.305578 0.190883 0.072075 O\n0.129815 0.019063 0.750247 O\n0.859711 0.035464 0.267246 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"V",
"Te",
"O"
],
"chemical_system": "Li-O-Te-V",
"density": 4.788553014604495,
"density_atomic": 0.08825528788869436,
"volume": 226.6153165261164,
"volume_molar": 6.823546672461136,
"formula_full": "Li4 V1 Te3 O12",
"formula_reduced": "Li4V(TeO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -122.99765636,
"energy_per_atom": -6.149882818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -113.05365636000002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011537,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.679000Z",
"spacegroup": 1
},
{
"id": "mp-1174932",
"created_at": "2022-09-04T14:39:25.523056Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n5.168933 0.000000 0.000000\n1.919373 5.592452 0.000000\n1.906137 1.157966 7.344517\nLi Mn Co O\n7 2 3 12\ndirect\n0.496661 0.167610 0.831050 Li\n0.507038 0.007480 0.501638 Li\n0.497415 0.839588 0.173963 Li\n0.497138 0.663086 0.827116 Li\n0.502913 0.493298 0.496569 Li\n0.503609 0.330079 0.171791 Li\n0.998697 0.165191 0.334626 Li\n0.005944 0.006808 0.001035 Mn\n0.997354 0.668963 0.334301 Mn\n0.000143 0.833611 0.665370 Co\n0.000650 0.501224 0.000982 Co\n0.996085 0.323918 0.657571 Co\n0.764054 0.316293 0.913965 O\n0.773902 0.147101 0.594335 O\n0.769818 0.985898 0.239865 O\n0.799159 0.833148 0.918486 O\n0.753750 0.657883 0.567473 O\n0.790252 0.514040 0.239370 O\n0.240713 0.001776 0.762461 O\n0.210365 0.815482 0.424454 O\n0.238235 0.690651 0.093981 O\n0.208321 0.511625 0.755855 O\n0.232688 0.350719 0.422606 O\n0.215098 0.174529 0.071134 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.123858803581489,
"density_atomic": 0.1130433015901379,
"volume": 212.30802411466195,
"volume_molar": 5.327286690399869,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -157.95846188,
"energy_per_atom": -6.5816025783333325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.46446188,
"band_gap": 0.8145000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0000044,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.245000Z",
"spacegroup": 1
},
{
"id": "mp-861490",
"created_at": "2022-09-04T14:39:25.538268Z",
"structure_string": "Li5 Mn2 Co3 O10\n1.0\n5.088614 0.000000 0.000000\n0.857794 5.015562 0.000000\n2.509272 2.044338 6.968967\nLi Mn Co O\n5 2 3 10\ndirect\n0.216023 0.504417 0.594299 Li\n0.402379 0.486590 0.214099 Li\n0.501821 0.000508 0.499319 Li\n0.782175 0.502003 0.411083 Li\n0.597992 0.502489 0.791952 Li\n0.101208 0.994643 0.304598 Mn\n0.896722 0.006512 0.697880 Mn\n0.004857 0.499646 0.999474 Co\n0.696208 0.000834 0.102841 Co\n0.304249 0.000532 0.890570 Co\n0.028508 0.776771 0.154011 O\n0.130353 0.224128 0.457527 O\n0.348186 0.226147 0.070587 O\n0.226313 0.757728 0.751432 O\n0.441720 0.775316 0.330193 O\n0.570378 0.235658 0.655784 O\n0.774062 0.228279 0.238484 O\n0.671426 0.774209 0.943536 O\n0.871421 0.777106 0.542892 O\n0.927204 0.229531 0.859348 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.494121567938262,
"density_atomic": 0.11244560251961297,
"volume": 177.86378081358552,
"volume_molar": 5.355603620825997,
"formula_full": "Li5 Mn2 Co3 O10",
"formula_reduced": "Li5Mn2Co3O10",
"formula_anonymous": "A2B3C5D10",
"energy": -135.68870137,
"energy_per_atom": -6.7844350685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -120.56870137,
"band_gap": 0.7991000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.789000Z",
"spacegroup": 1
},
{
"id": "mp-707276",
"created_at": "2022-09-04T14:39:25.607399Z",
"structure_string": "Te2 H18 S2 N4 O10 F6\n1.0\n-7.123132 0.000000 0.000000\n2.290994 7.254613 0.000000\n-0.463129 -1.705140 -8.642597\nTe H S N O F\n2 18 2 4 10 6\ndirect\n0.996361 0.000015 0.011534 Te\n0.363079 0.391967 0.510252 Te\n0.852230 0.482746 0.154766 H\n0.969913 0.623985 0.315207 H\n0.404380 0.777892 0.198255 H\n0.520873 0.925812 0.357461 H\n0.788306 0.436330 0.832681 H\n0.577049 0.931418 0.851638 H\n0.283084 0.910063 0.318672 H\n0.705568 0.709461 0.008576 H\n0.095551 0.509532 0.182562 H\n0.927298 0.350215 0.685808 H\n0.341012 0.389374 0.794292 H\n0.407211 0.790226 0.719700 H\n0.812066 0.507758 0.661194 H\n0.923662 0.384183 0.287726 H\n0.468037 0.016433 0.211332 H\n0.569448 0.981400 0.673870 H\n0.392436 0.007811 0.803175 H\n0.004644 0.573310 0.785547 H\n0.922173 0.045298 0.423516 S\n0.459124 0.377929 0.069986 S\n0.960120 0.500892 0.235828 N\n0.418859 0.907048 0.270820 N\n0.485467 0.927818 0.763296 N\n0.882603 0.465962 0.740690 N\n0.727934 0.961618 0.486682 O\n0.345235 0.251049 0.929353 O\n0.659784 0.484037 0.016952 O\n0.042512 0.198979 0.552225 O\n0.482794 0.262303 0.179827 O\n0.354179 0.514571 0.140685 O\n0.900633 0.137245 0.291848 O\n0.027417 0.904453 0.367871 O\n0.725745 0.843760 0.996790 O\n0.339383 0.482946 0.728274 O\n0.080006 0.765716 0.012751 F\n0.473309 0.203758 0.571532 F\n0.279127 0.623167 0.505104 F\n0.878446 0.180808 0.949655 F\n0.642431 0.548547 0.518923 F\n0.038091 0.926425 0.792440 F\n",
"nsites": 42,
"nelements": 6,
"elements": [
"Te",
"H",
"S",
"N",
"O",
"F"
],
"chemical_system": "F-H-N-O-S-Te",
"density": 2.4817643581715654,
"density_atomic": 0.0940415515322635,
"volume": 446.61109175331677,
"volume_molar": 6.403702046466069,
"formula_full": "Te2 H18 S2 N4 O10 F6",
"formula_reduced": "TeH9SN2O5F3",
"formula_anonymous": "ABC2D3E5F9",
"energy": -227.46452602,
"energy_per_atom": -5.415822048095238,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -216.37852602,
"band_gap": 4.267,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016419,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:35.116000Z",
"spacegroup": 1
},
{
"id": "mp-1176459",
"created_at": "2022-09-04T14:39:25.621361Z",
"structure_string": "Mn6 O2 F10\n1.0\n5.881074 0.000000 0.000000\n1.912779 5.566293 0.000000\n2.232862 1.514225 7.096304\nMn O F\n6 2 10\ndirect\n0.333101 0.355020 0.161582 Mn\n0.678440 0.684075 0.331557 Mn\n0.323936 0.334632 0.665803 Mn\n0.644099 0.670274 0.841061 Mn\n0.994201 0.991738 0.486680 Mn\n0.019789 0.975647 0.013307 Mn\n0.903620 0.888988 0.289407 O\n0.301984 0.700528 0.001045 O\n0.363571 0.985038 0.331779 F\n0.012247 0.636850 0.672403 F\n0.093391 0.084976 0.711251 F\n0.449729 0.453506 0.364332 F\n0.760932 0.761227 0.035878 F\n0.234422 0.232615 0.965294 F\n0.565163 0.569194 0.629090 F\n0.634399 0.032649 0.662937 F\n0.967600 0.361676 0.338610 F\n0.719373 0.281366 0.997984 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Mn",
"O",
"F"
],
"chemical_system": "F-Mn-O",
"density": 3.943003628034422,
"density_atomic": 0.07748499081542366,
"volume": 232.30305392792323,
"volume_molar": 7.772009387399026,
"formula_full": "Mn6 O2 F10",
"formula_reduced": "Mn3OF5",
"formula_anonymous": "AB3C5",
"energy": -133.04468997,
"energy_per_atom": -7.391371665,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -117.04268997,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0065521,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.848000Z",
"spacegroup": 1
},
{
"id": "mp-1222932",
"created_at": "2022-09-04T14:39:25.634746Z",
"structure_string": "Li7 Ho3 Mo8 O32\n1.0\n6.826064 0.000000 0.000000\n2.589617 9.640722 0.000000\n1.154857 4.187780 9.859152\nLi Ho Mo O\n7 3 8 32\ndirect\n0.501421 0.500014 0.501516 Li\n0.999971 0.000752 0.500210 Li\n0.439430 0.150901 0.632212 Li\n0.935976 0.645935 0.637741 Li\n0.058726 0.349425 0.368494 Li\n0.560470 0.849854 0.368276 Li\n0.766892 0.455725 0.934158 Li\n0.271852 0.955315 0.938568 Ho\n0.726869 0.048694 0.058419 Ho\n0.231309 0.543289 0.056428 Ho\n0.385746 0.766949 0.702210 Mo\n0.885506 0.269580 0.702093 Mo\n0.115564 0.730870 0.298658 Mo\n0.614834 0.232203 0.298562 Mo\n0.345895 0.356565 0.819912 Mo\n0.841890 0.858300 0.821351 Mo\n0.155061 0.144431 0.177546 Mo\n0.658614 0.642404 0.177051 Mo\n0.588767 0.288943 0.908447 O\n0.088395 0.793886 0.912544 O\n0.913528 0.199647 0.093423 O\n0.410510 0.707098 0.087123 O\n0.637176 0.301600 0.640086 O\n0.136326 0.802260 0.640953 O\n0.863530 0.200148 0.359040 O\n0.362740 0.699386 0.359639 O\n0.055125 0.260748 0.567862 O\n0.557685 0.760870 0.568217 O\n0.445121 0.235536 0.433432 O\n0.944928 0.736611 0.432388 O\n0.437312 0.598263 0.860244 O\n0.945559 0.094087 0.864788 O\n0.054579 0.901967 0.136874 O\n0.549095 0.405549 0.145172 O\n0.295060 0.198894 0.794687 O\n0.793844 0.705328 0.795851 O\n0.201144 0.301100 0.205219 O\n0.701232 0.800722 0.204153 O\n0.318151 0.511142 0.660476 O\n0.816730 0.010630 0.661343 O\n0.180229 0.990809 0.336999 O\n0.685187 0.491591 0.338280 O\n0.642475 0.922439 0.929710 O\n0.158475 0.415661 0.931783 O\n0.860374 0.586847 0.073319 O\n0.353741 0.077505 0.070640 O\n0.385912 0.934199 0.734859 O\n0.891586 0.434944 0.726702 O\n0.116970 0.564186 0.267794 O\n0.612488 0.066199 0.264549 O\n",
"nsites": 50,
"nelements": 4,
"elements": [
"Li",
"Ho",
"Mo",
"O"
],
"chemical_system": "Ho-Li-Mo-O",
"density": 4.665384093084795,
"density_atomic": 0.07706381887331558,
"volume": 648.81290248793,
"volume_molar": 7.814485251372938,
"formula_full": "Li7 Ho3 Mo8 O32",
"formula_reduced": "Li7Ho3(MoO4)8",
"formula_anonymous": "A3B7C8D32",
"energy": -394.33113263,
"energy_per_atom": -7.8866226526,
"energy_above_hull": null,
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"energy_uncorrected": -346.73113263,
"band_gap": 3.3789,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:34:23.738000Z",
"spacegroup": 1
},
{
"id": "mp-695365",
"created_at": "2022-09-04T14:39:26.594807Z",
"structure_string": "Li1 Al3 Si9 N14 O2\n1.0\n5.711851 0.000000 0.000000\n0.017275 7.865117 0.000000\n0.032158 3.894531 6.846634\nLi Al Si N O\n1 3 9 14 2\ndirect\n0.276759 0.332010 0.337580 Li\n0.544263 0.754984 0.166407 Al\n0.843599 0.422770 0.498267 Al\n0.338969 0.576295 0.908738 Al\n0.850138 0.482500 0.080022 Si\n0.543729 0.171077 0.081926 Si\n0.838425 0.083685 0.427328 Si\n0.053202 0.831890 0.252905 Si\n0.340529 0.910930 0.513893 Si\n0.539632 0.094266 0.741081 Si\n0.038918 0.916200 0.831998 Si\n0.332483 0.512091 0.572235 Si\n0.052411 0.249587 0.922615 Si\n0.044865 0.996242 0.004217 N\n0.796966 0.315534 0.001131 N\n0.913309 0.332191 0.324298 N\n0.546694 0.013974 0.987754 N\n0.543177 0.345751 0.591979 N\n0.563495 0.051239 0.342689 N\n0.065815 0.949994 0.391959 N\n0.282555 0.668192 0.321218 N\n0.798871 0.014864 0.675577 N\n0.297067 0.992574 0.684810 N\n0.413824 0.670430 0.652778 N\n0.074671 0.385726 0.672382 N\n0.052715 0.663302 0.955099 N\n0.293084 0.309152 0.019401 N\n0.580703 0.595869 0.058118 O\n0.807933 0.690014 0.314928 O\n",
"nsites": 29,
"nelements": 5,
"elements": [
"Li",
"Al",
"Si",
"N",
"O"
],
"chemical_system": "Al-Li-N-O-Si",
"density": 3.070503474344986,
"density_atomic": 0.09428417995520239,
"volume": 307.5807628997663,
"volume_molar": 6.38722292845027,
"formula_full": "Li1 Al3 Si9 N14 O2",
"formula_reduced": "LiAl3Si9(N7O)2",
"formula_anonymous": "AB2C3D9E14",
"energy": -233.22101895000003,
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"energy_above_hull": null,
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"band_gap": 3.8741,
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"total_magnetization": 0.0008249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.445000Z",
"spacegroup": 1
},
{
"id": "mp-1076810",
"created_at": "2022-09-04T14:39:26.743075Z",
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{
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{
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}