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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=128",
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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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"energy_uncorrected": -297.7634789,
"band_gap": 0.1593,
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"updated_at": "2021-11-28T01:34:55.234000Z",
"spacegroup": 1
},
{
"id": "mp-754288",
"created_at": "2022-09-04T14:40:15.939847Z",
"structure_string": "Mg1 Fe11 O18\n1.0\n5.496977 0.000000 0.000000\n-0.698101 7.501601 0.000000\n-2.380916 -3.743204 7.700750\nMg Fe O\n1 11 18\ndirect\n0.714444 0.143106 0.000314 Mg\n0.705201 0.647715 0.001562 Fe\n0.294863 0.855638 0.999744 Fe\n0.626644 0.185545 0.668609 Fe\n0.037345 0.480370 0.667385 Fe\n0.300520 0.348977 0.001062 Fe\n0.958128 0.020011 0.331038 Fe\n0.038491 0.978190 0.667154 Fe\n0.377558 0.315080 0.332753 Fe\n0.625667 0.690359 0.667382 Fe\n0.372731 0.813285 0.333071 Fe\n0.961993 0.516936 0.331116 Fe\n0.395350 0.651375 0.797335 O\n0.594581 0.353773 0.897370 O\n0.933854 0.686485 0.869316 O\n0.065417 0.316158 0.434115 O\n0.729682 0.979389 0.760387 O\n0.034689 0.286819 0.769520 O\n0.631575 0.381368 0.567201 O\n0.291467 0.047332 0.898432 O\n0.266918 0.019108 0.534650 O\n0.731240 0.983525 0.462957 O\n0.698948 0.945817 0.103466 O\n0.369238 0.621730 0.436890 O\n0.965597 0.714073 0.233371 O\n0.933761 0.681800 0.563519 O\n0.265994 0.017667 0.231554 O\n0.394752 0.644852 0.099971 O\n0.078892 0.321245 0.134634 O\n0.604460 0.352273 0.204120 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Mg",
"Fe",
"O"
],
"chemical_system": "Fe-Mg-O",
"density": 4.845353042399986,
"density_atomic": 0.09447357490237554,
"volume": 317.54911392948304,
"volume_molar": 6.374418207655413,
"formula_full": "Mg1 Fe11 O18",
"formula_reduced": "MgFe11O18",
"formula_anonymous": "AB11C18",
"energy": -234.46801708,
"energy_per_atom": -7.815600569333333,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -197.28601708,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 54.0002206,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.923000Z",
"spacegroup": 1
},
{
"id": "mp-1245176",
"created_at": "2022-09-04T14:40:15.977399Z",
"structure_string": "Ti75 O25\n1.0\n10.904464 0.659829 0.229149\n0.629932 12.376548 -0.124692\n0.257646 -0.061649 10.673425\nTi O\n75 25\ndirect\n0.542634 0.933747 0.490675 Ti\n0.134561 0.048452 0.603047 Ti\n0.691480 0.531233 0.566099 Ti\n0.853137 0.652638 0.148364 Ti\n0.508500 0.299881 0.599957 Ti\n0.160871 0.310502 0.945456 Ti\n0.573017 0.550663 0.344449 Ti\n0.987339 0.252145 0.171825 Ti\n0.699957 0.792300 0.838942 Ti\n0.231979 0.818055 0.190861 Ti\n0.033566 0.758168 0.743924 Ti\n0.761789 0.920119 0.625209 Ti\n0.119702 0.530705 0.791389 Ti\n0.089669 0.632154 0.270875 Ti\n0.264990 0.359994 0.663503 Ti\n0.902757 0.254673 0.419303 Ti\n0.969230 0.692499 0.492308 Ti\n0.951130 0.850375 0.276524 Ti\n0.689447 0.558883 0.870525 Ti\n0.874011 0.046139 0.137351 Ti\n0.294744 0.680679 0.714357 Ti\n0.749385 0.336000 0.672118 Ti\n0.303680 0.478081 0.984517 Ti\n0.989260 0.905732 0.553523 Ti\n0.961201 0.177181 0.935678 Ti\n0.224987 0.879056 0.836829 Ti\n0.050474 0.481957 0.079802 Ti\n0.719807 0.738936 0.390746 Ti\n0.937541 0.984177 0.818705 Ti\n0.191752 0.567401 0.510755 Ti\n0.249262 0.146174 0.154200 Ti\n0.624074 0.115632 0.729184 Ti\n0.868102 0.612350 0.705837 Ti\n0.371137 0.113983 0.609144 Ti\n0.874142 0.495170 0.344228 Ti\n0.697154 0.013907 0.948853 Ti\n0.348439 0.576112 0.221851 Ti\n0.657984 0.978231 0.264262 Ti\n0.066229 0.247397 0.713389 Ti\n0.582869 0.620143 0.119305 Ti\n0.415398 0.690089 0.928548 Ti\n0.117391 0.389766 0.306481 Ti\n0.659493 0.152460 0.465890 Ti\n0.331435 0.984265 0.340797 Ti\n0.914731 0.397073 0.855300 Ti\n0.394269 0.690032 0.444328 Ti\n0.424198 0.243069 0.898217 Ti\n0.694345 0.252689 0.942812 Ti\n0.912121 0.607112 0.927904 Ti\n0.438178 0.513986 0.596271 Ti\n0.874103 0.128632 0.637042 Ti\n0.171573 0.229117 0.455059 Ti\n0.891081 0.841930 0.010253 Ti\n0.261974 0.092422 0.868002 Ti\n0.428055 0.182618 0.355372 Ti\n0.537875 0.738278 0.642680 Ti\n0.475806 0.935016 0.777898 Ti\n0.392642 0.935436 0.047729 Ti\n0.164290 0.798882 0.422022 Ti\n0.776272 0.436190 0.111658 Ti\n0.518214 0.140961 0.107895 Ti\n0.651246 0.823081 0.079281 Ti\n0.728314 0.218105 0.209550 Ti\n0.125095 0.697570 0.980911 Ti\n0.093573 -0.006036 0.042526 Ti\n0.494055 0.806872 0.269577 Ti\n0.849701 0.030380 0.404543 Ti\n0.330524 0.874040 0.574297 Ti\n0.086935 0.028405 0.322431 Ti\n0.526987 0.406967 0.118232 Ti\n0.995863 0.419525 0.573534 Ti\n0.525490 0.436979 0.825755 Ti\n0.661533 0.367571 0.395053 Ti\n0.324344 0.322044 0.156298 Ti\n0.362500 0.401289 0.404776 Ti\n0.029028 0.757714 0.138112 O\n0.818029 0.399060 0.503311 O\n0.581720 0.278129 0.774136 O\n0.442736 0.103135 0.781719 O\n0.824661 0.343764 0.265726 O\n0.591906 0.137476 0.278541 O\n0.078945 0.913589 0.710208 O\n0.222031 0.508298 0.334549 O\n0.288793 0.988003 0.710412 O\n0.193399 0.582904 0.111383 O\n0.382069 0.097493 0.009985 O\n0.262147 0.605522 0.878921 O\n0.563346 0.907220 0.936857 O\n0.664473 0.812595 0.548163 O\n0.055444 0.861455 0.926644 O\n0.901092 0.682217 0.318159 O\n0.228750 0.984557 0.173408 O\n0.597600 0.697145 0.954333 O\n0.346564 0.261176 0.512622 O\n0.466587 0.600166 0.760379 O\n0.280409 0.804436 0.004438 O\n0.040535 0.590455 0.629883 O\n0.687914 0.654672 0.717353 O\n0.823278 0.614871 0.513200 O\n0.728323 0.395385 0.867664 O\n",
"nsites": 100,
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"elements": [
"Ti",
"O"
],
"chemical_system": "O-Ti",
"density": 4.616475500206035,
"density_atomic": 0.06967668072746587,
"volume": 1435.2003992719042,
"volume_molar": 8.642978823223608,
"formula_full": "Ti75 O25",
"formula_reduced": "Ti3O",
"formula_anonymous": "AB3",
"energy": -843.74960302,
"energy_per_atom": -8.4374960302,
"energy_above_hull": null,
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"band_gap": 0.0,
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"updated_at": "2021-11-28T01:34:57.381000Z",
"spacegroup": 1
},
{
"id": "mp-1177065",
"created_at": "2022-09-04T14:40:16.073222Z",
"structure_string": "Li10 V6 P16 O58\n1.0\n9.790374 0.000000 0.000000\n-4.850280 -8.539242 0.000000\n-0.138323 0.052305 -14.108035\nLi V P O\n10 6 16 58\ndirect\n0.906736 0.679105 0.058636 Li\n0.776874 0.082111 0.057866 Li\n0.318249 0.227682 0.057849 Li\n0.675399 0.907917 0.440902 Li\n0.331782 0.097993 0.560151 Li\n0.226406 0.908044 0.940914 Li\n0.325516 0.661247 0.611094 Li\n0.228438 0.317210 0.443962 Li\n0.088939 0.322429 0.936178 Li\n0.967757 0.950799 0.507143 Li\n0.569196 0.001031 0.251018 V\n0.433324 0.000817 0.753139 V\n0.575024 0.570989 0.753437 V\n0.437697 0.440291 0.251581 V\n0.002866 0.568138 0.256096 V\n0.993707 0.433176 0.740790 V\n0.916999 0.682538 0.841913 P\n0.776860 0.692551 0.340835 P\n0.918436 0.224014 0.340108 P\n0.665781 0.334085 0.132647 P\n0.657836 0.333721 0.628134 P\n0.773371 0.089283 0.840213 P\n0.683027 0.906105 0.659120 P\n0.319416 0.234412 0.841977 P\n0.683431 0.769168 0.155628 P\n0.317753 0.092241 0.342652 P\n0.230593 0.911733 0.162117 P\n0.338537 0.668006 0.372681 P\n0.328577 0.660513 0.868345 P\n0.088144 0.781706 0.658311 P\n0.229586 0.319075 0.658084 P\n0.087057 0.321518 0.156948 P\n0.005290 0.803005 0.576570 O\n0.912158 0.655515 0.335053 O\n0.760401 0.752319 0.070488 O\n0.748975 0.662814 0.835424 O\n0.905749 0.523854 0.825030 O\n0.815076 0.484559 0.168355 O\n0.916937 0.378423 0.332493 O\n0.004144 0.248515 0.065222 O\n0.917660 0.253996 0.834958 O\n0.660664 0.479528 0.679074 O\n0.617978 0.536376 0.328547 O\n0.810407 0.336910 0.670339 O\n0.641906 0.326823 0.027893 O\n0.654684 0.343518 0.523596 O\n0.670330 0.185719 0.171011 O\n0.477922 0.382661 0.824121 O\n0.516981 0.335543 0.179976 O\n0.746875 0.081998 0.336858 O\n0.789664 0.997518 0.749764 O\n0.768092 0.977329 0.569272 O\n0.760253 0.008192 0.931007 O\n0.620147 0.096886 0.817349 O\n0.510879 0.185011 0.666562 O\n0.662171 0.915026 0.157467 O\n0.473074 0.093576 0.329755 O\n0.340955 0.262316 0.333554 O\n0.792251 0.792422 0.247713 O\n0.786268 0.788814 0.424729 O\n0.234323 0.230340 0.572189 O\n0.658719 0.737580 0.669297 O\n0.519728 0.893230 0.669320 O\n0.336146 0.085400 0.843044 O\n0.493916 0.812562 0.338949 O\n0.381313 0.900912 0.182168 O\n0.246117 0.001286 0.072411 O\n0.232587 0.023817 0.432732 O\n0.208932 0.002237 0.251064 O\n0.261473 0.921770 0.664055 O\n0.475025 0.659732 0.821567 O\n0.522397 0.619415 0.178291 O\n0.328510 0.813883 0.833769 O\n0.327953 0.649008 0.973294 O\n0.338881 0.651241 0.478651 O\n0.196652 0.675020 0.330140 O\n0.380840 0.479938 0.670818 O\n0.330972 0.513105 0.328910 O\n0.083861 0.747988 0.161805 O\n0.011926 0.797505 0.756099 O\n0.999899 0.759990 0.932763 O\n0.100186 0.629759 0.663473 O\n0.180175 0.515937 0.822246 O\n0.094471 0.478807 0.178480 O\n0.255218 0.341603 0.160532 O\n0.241391 0.245941 0.930472 O\n0.210569 0.214208 0.751108 O\n0.088152 0.344731 0.656132 O\n0.007763 0.205283 0.420547 O\n0.992348 0.203915 0.241190 O\n",
"nsites": 90,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.532209388070307,
"density_atomic": 0.07630576961595914,
"volume": 1179.4652023426647,
"volume_molar": 7.892117188921564,
"formula_full": "Li10 V6 P16 O58",
"formula_reduced": "Li5V3P8O29",
"formula_anonymous": "A3B5C8D29",
"energy": -682.79909626,
"energy_per_atom": -7.586656625111112,
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"updated_at": "2021-11-28T01:34:59.155000Z",
"spacegroup": 1
},
{
"id": "mp-1234060",
"created_at": "2022-09-04T14:40:16.245938Z",
"structure_string": "Ca1 P4 Br12 O4\n1.0\n6.915557 -0.545857 0.024149\n-0.863898 10.350894 -0.034100\n0.037611 -0.034981 10.881788\nCa P Br O\n1 4 12 4\ndirect\n0.626896 0.784365 0.242089 Ca\n0.372396 0.308454 0.244379 P\n0.628045 0.683684 0.746422 P\n0.900562 0.188072 0.745381 P\n0.106872 0.841597 0.247190 P\n0.815994 0.651152 0.587637 Br\n0.845254 0.027753 0.242819 Br\n0.319321 0.766814 0.418045 Br\n0.709089 0.147075 0.906591 Br\n0.207906 0.354647 0.406819 Br\n0.814502 0.652819 0.904925 Br\n0.391151 0.516336 0.746803 Br\n0.710742 0.142998 0.585061 Br\n0.087919 0.035971 0.746119 Br\n0.208322 0.358531 0.085176 Br\n0.316158 0.775390 0.070219 Br\n0.641804 0.461033 0.245455 Br\n0.562899 0.811862 0.746793 O\n0.012739 0.321858 0.744355 O\n0.422782 0.176206 0.241865 O\n0.934064 0.730884 0.246001 O\n",
"nsites": 21,
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"elements": [
"Ca",
"P",
"Br",
"O"
],
"chemical_system": "Br-Ca-O-P",
"density": 2.546875757260087,
"density_atomic": 0.02713898464028821,
"volume": 773.794608690894,
"volume_molar": 22.19000025174135,
"formula_full": "Ca1 P4 Br12 O4",
"formula_reduced": "CaP4(Br3O)4",
"formula_anonymous": "AB4C4D12",
"energy": -92.19106013,
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"updated_at": "2021-11-28T01:35:00.647000Z",
"spacegroup": 1
},
{
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{
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{
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"density": 4.703869193394871,
"density_atomic": 0.11028158009152773,
"volume": 743.5511889831869,
"volume_molar": 5.460695027222089,
"formula_full": "Li16 Ni22 O44",
"formula_reduced": "Li8(NiO2)11",
"formula_anonymous": "A8B11C22",
"energy": -484.44883401,
"energy_per_atom": -5.907912609878049,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -398.31883401,
"band_gap": 0.1948000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9999775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.054000Z",
"spacegroup": 1
},
{
"id": "mp-1215806",
"created_at": "2022-09-04T14:40:16.315445Z",
"structure_string": "Zn4 Si8 Ni12\n1.0\n4.539119 0.000000 0.000000\n0.068699 4.556720 0.000000\n0.133273 0.304402 13.595344\nZn Si Ni\n4 8 12\ndirect\n0.350368 0.830851 0.118703 Zn\n0.348428 0.852039 0.449782 Zn\n0.347791 0.848933 0.782465 Zn\n0.846875 0.666765 0.215521 Zn\n0.844811 0.665874 0.549702 Si\n0.845936 0.661742 0.881931 Si\n0.656812 0.346587 0.056310 Si\n0.654239 0.351068 0.384942 Si\n0.649706 0.344399 0.720140 Si\n0.153545 0.145726 0.279584 Si\n0.163017 0.147861 0.615663 Si\n0.167902 0.148115 0.948182 Si\n0.640837 0.160649 0.219110 Ni\n0.654964 0.161048 0.551437 Ni\n0.655927 0.160243 0.883238 Ni\n0.141354 0.336377 0.113565 Ni\n0.128220 0.357794 0.454205 Ni\n0.131322 0.355289 0.785448 Ni\n0.345932 0.625159 0.290688 Ni\n0.353846 0.627607 0.618621 Ni\n0.356871 0.627435 0.951497 Ni\n0.855299 0.857445 0.036559 Ni\n0.852973 0.867509 0.383685 Ni\n0.853028 0.853485 0.709022 Ni\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"Si",
"Ni"
],
"chemical_system": "Ni-Si-Zn",
"density": 7.030978104893002,
"density_atomic": 0.08534874298164691,
"volume": 281.19922053404906,
"volume_molar": 7.055922031909691,
"formula_full": "Zn4 Si8 Ni12",
"formula_reduced": "ZnSi2Ni3",
"formula_anonymous": "AB2C3",
"energy": -127.82655051,
"energy_per_atom": -5.3261062712500005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.39455051,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.78e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.455000Z",
"spacegroup": 1
}
]
}