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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=spacegroup&page=112",
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"results": [
{
"id": "mp-1569230",
"created_at": "2022-09-04T14:40:08.068357Z",
"structure_string": "Li4 Co4 P8 O28\n1.0\n-0.031212 -0.002439 5.056300\n14.667856 -7.512654 2.438852\n2.944899 7.015872 2.505796\nLi Co P O\n4 4 8 28\ndirect\n0.999935 0.481072 0.378016 Li\n0.495842 0.978574 0.876479 Li\n0.891419 0.230366 0.126907 Li\n0.390719 0.730810 0.630019 Li\n0.729958 0.752693 0.250342 Co\n0.028183 0.506343 0.993528 Co\n0.226079 0.255375 0.743160 Co\n0.519582 0.003793 0.491653 Co\n0.405598 0.345649 0.044975 P\n0.905596 0.844838 0.542561 P\n0.955997 0.093480 0.792878 P\n0.460814 0.594922 0.292022 P\n0.087009 0.150925 0.449078 P\n0.596873 0.654275 0.953080 P\n0.558777 0.403653 0.701515 P\n0.050250 0.899532 0.199597 P\n0.008314 0.174923 0.869100 O\n0.513159 0.676642 0.370152 O\n0.197818 0.426345 0.120650 O\n0.693262 0.924392 0.618999 O\n0.330870 0.078148 0.383922 O\n0.838980 0.580598 0.888154 O\n0.445089 0.331103 0.636902 O\n0.951173 0.824470 0.131886 O\n0.646960 0.370615 0.871043 O\n0.144378 0.870119 0.369779 O\n0.862652 0.117744 0.618393 O\n0.368623 0.619392 0.118587 O\n0.243692 0.287395 0.971572 O\n0.744282 0.784891 0.470586 O\n0.246563 0.036223 0.719775 O\n0.749664 0.537257 0.222078 O\n0.193148 0.219848 0.532808 O\n0.704617 0.723289 0.034607 O\n0.306162 0.472582 0.784546 O\n0.791833 0.966916 0.282395 O\n0.555910 0.308979 0.163413 O\n0.053212 0.807724 0.661784 O\n0.725288 0.056234 0.911528 O\n0.228106 0.559578 0.413781 O\n0.805968 0.428581 0.571555 O\n0.291541 0.926182 0.067454 O\n0.944413 0.176299 0.319221 O\n0.459905 0.679719 0.820605 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.514880551768091,
"density_atomic": 0.06946724000936919,
"volume": 633.3920851622381,
"volume_molar": 8.669037029811147,
"formula_full": "Li4 Co4 P8 O28",
"formula_reduced": "LiCoP2O7",
"formula_anonymous": "ABC2D7",
"energy": -319.6262555,
"energy_per_atom": -7.264233079545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -293.8382555,
"band_gap": 0.8244,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0002374,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.844000Z",
"spacegroup": 1
},
{
"id": "mp-1244945",
"created_at": "2022-09-04T14:40:08.091800Z",
"structure_string": "Si30 O60\n1.0\n11.235420 0.040406 -0.076083\n0.040493 11.119922 -0.040675\n-0.071973 -0.039428 11.507193\nSi O\n30 60\ndirect\n0.160677 0.515201 0.202243 Si\n0.700569 0.090758 0.814380 Si\n0.145068 0.605226 0.953173 Si\n0.973411 0.753292 0.090089 Si\n0.135994 0.792064 0.283003 Si\n0.909453 0.913484 0.712506 Si\n0.277909 0.771124 0.632096 Si\n0.175901 0.388428 0.542483 Si\n0.081215 0.886263 0.523523 Si\n0.094311 0.055249 0.834043 Si\n0.352172 0.492906 0.366066 Si\n0.337648 0.106375 0.927607 Si\n0.523387 0.057791 0.015991 Si\n0.745421 0.730778 0.603125 Si\n0.781149 0.505489 0.441642 Si\n0.289659 0.319200 0.764555 Si\n0.896654 0.256937 0.890079 Si\n0.366232 0.584315 0.816374 Si\n0.621383 0.694345 0.829249 Si\n0.624373 0.910019 0.422500 Si\n0.568643 0.310568 0.422212 Si\n0.057338 0.428182 0.773230 Si\n0.262448 0.021382 0.635013 Si\n0.523699 0.110457 0.598462 Si\n0.842497 0.284114 0.160633 Si\n0.797882 0.569320 0.191445 Si\n0.387614 0.771217 0.379083 Si\n0.734702 0.724685 0.000154 Si\n0.648404 0.102241 0.243689 Si\n0.998611 0.355009 0.357041 Si\n0.283856 0.632125 0.923430 O\n0.681114 0.400688 0.438381 O\n0.746023 0.175340 0.167675 O\n0.357580 0.780994 0.516004 O\n0.930305 0.374552 0.812912 O\n0.188024 0.986545 0.515758 O\n0.251343 0.488447 0.469541 O\n0.699326 0.644529 0.113814 O\n0.850765 0.809406 0.031025 O\n0.134494 0.772260 0.600639 O\n0.076964 0.556408 0.837320 O\n0.056222 0.832256 0.394552 O\n0.744791 0.631061 0.885204 O\n0.646274 0.060130 0.941716 O\n0.198580 0.061851 0.936774 O\n0.158568 0.333872 0.822895 O\n0.770017 0.593324 0.328148 O\n0.796635 0.994187 0.759099 O\n0.908633 0.434749 0.437518 O\n0.991104 0.149611 0.866750 O\n0.424392 0.983224 0.932782 O\n0.926001 0.629620 0.154526 O\n0.423955 0.173027 0.028309 O\n0.380476 0.094550 0.604282 O\n0.503691 0.615225 0.842695 O\n0.513274 0.840143 0.357445 O\n0.056770 0.436758 0.258022 O\n0.623076 0.799245 0.936571 O\n0.562189 0.031006 0.150250 O\n0.964824 0.949367 0.584309 O\n0.928224 0.255560 0.275767 O\n0.021039 0.928280 0.807573 O\n0.049147 0.843007 0.177117 O\n0.276802 0.831818 0.301457 O\n0.572937 0.002228 0.518479 O\n0.271609 0.312884 0.622413 O\n0.454122 0.393517 0.391021 O\n0.364855 0.439324 0.797782 O\n0.351521 0.199417 0.817984 O\n0.770909 0.593790 0.555381 O\n0.289611 0.459279 0.240912 O\n0.101612 0.304760 0.447276 O\n0.069284 0.723708 0.989473 O\n0.632313 0.731694 0.693203 O\n0.899570 0.279163 0.030939 O\n0.407190 0.627551 0.353873 O\n0.858306 0.778186 0.683500 O\n0.316850 0.650738 0.699635 O\n0.791396 0.423342 0.171509 O\n0.696380 0.991882 0.327779 O\n0.163714 0.091519 0.714822 O\n0.767620 0.218463 0.837130 O\n0.551019 0.242159 0.544911 O\n0.583606 0.207071 0.321675 O\n0.713296 0.816651 0.491692 O\n0.302296 0.897128 0.704317 O\n0.589646 0.104500 0.724230 O\n0.146411 0.511325 0.061870 O\n0.148531 0.648458 0.260316 O\n0.078529 0.446443 0.633631 O\n",
"nsites": 90,
"nelements": 2,
"elements": [
"Si",
"O"
],
"chemical_system": "O-Si",
"density": 2.0820941387874266,
"density_atomic": 0.06260535938846896,
"volume": 1437.576604928439,
"volume_molar": 9.619209631291078,
"formula_full": "Si30 O60",
"formula_reduced": "SiO2",
"formula_anonymous": "AB2",
"energy": -743.3118525,
"energy_per_atom": -8.259020583333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -702.0918525,
"band_gap": 5.0143,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.3e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.503000Z",
"spacegroup": 1
},
{
"id": "mp-1174678",
"created_at": "2022-09-04T14:40:08.138882Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.133801 0.000000 0.000000\n0.680380 6.459926 0.000000\n1.903433 0.225702 7.492936\nLi Mn Co O\n8 2 4 14\ndirect\n0.917851 0.154305 0.635733 Li\n0.642893 0.709082 0.224310 Li\n0.509900 0.993080 0.498323 Li\n0.214977 0.563397 0.071281 Li\n0.063844 0.855086 0.365710 Li\n0.786811 0.428605 0.921576 Li\n0.365069 0.297308 0.779460 Li\n0.716786 0.568692 0.571374 Li\n0.000492 0.003533 0.001455 Mn\n0.571715 0.854597 0.853532 Mn\n0.428006 0.143296 0.143254 Co\n0.133566 0.708827 0.711437 Co\n0.855539 0.289283 0.287946 Co\n0.286184 0.437676 0.436231 Co\n0.267587 0.985410 0.767113 O\n0.964648 0.544616 0.315771 O\n0.821465 0.857291 0.625446 O\n0.552219 0.401337 0.189250 O\n0.364328 0.706905 0.475424 O\n0.082300 0.276180 0.049303 O\n0.652268 0.133152 0.903117 O\n0.614523 0.285090 0.509217 O\n0.349044 0.867963 0.100214 O\n0.170461 0.163858 0.371416 O\n0.884693 0.734596 0.945873 O\n0.772983 0.012391 0.243941 O\n0.458063 0.595076 0.824045 O\n0.051787 0.429367 0.678249 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.177339564250903,
"density_atomic": 0.11267807915931706,
"volume": 248.4955388741622,
"volume_molar": 5.3445539761866305,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -180.21392145,
"energy_per_atom": -6.436211480357143,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -160.70792145,
"band_gap": 0.0836000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0017089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.371000Z",
"spacegroup": 1
},
{
"id": "mp-1367097",
"created_at": "2022-09-04T14:40:08.190524Z",
"structure_string": "Ir1 N9 O12\n1.0\n7.944059 0.000000 0.000000\n-2.825947 7.441150 0.000000\n-0.660494 -4.246440 7.104050\nIr N O\n1 9 12\ndirect\n0.175744 0.176567 0.994898 Ir\n0.754048 0.795638 0.853647 N\n0.133350 0.747066 0.142941 N\n0.890160 0.781676 0.222728 N\n0.198015 0.072351 0.395376 N\n0.652970 0.016626 0.805399 N\n0.106940 0.237714 0.713105 N\n0.521727 0.494960 0.519102 N\n0.620648 0.211176 0.204409 N\n0.243105 0.723339 0.775584 N\n0.176929 0.605034 0.166117 O\n0.852930 0.650898 0.351322 O\n0.639877 0.684651 0.797131 O\n0.027640 0.325839 0.946151 O\n0.629441 0.990318 0.950010 O\n0.030490 0.998559 0.356162 O\n0.292244 0.130606 0.278610 O\n0.236031 0.923339 0.057203 O\n0.517499 0.262886 0.053915 O\n0.627296 0.154498 0.651852 O\n0.157017 0.410886 0.607955 O\n0.015897 0.105374 0.656389 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Ir",
"N",
"O"
],
"chemical_system": "Ir-N-O",
"density": 2.0177190242722305,
"density_atomic": 0.05238828134647115,
"volume": 419.9412432429778,
"volume_molar": 11.49520580790278,
"formula_full": "Ir1 N9 O12",
"formula_reduced": "Ir(N3O4)3",
"formula_anonymous": "AB9C12",
"energy": -98.08354017,
"energy_per_atom": -4.4583427350000004,
"energy_above_hull": null,
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"energy_uncorrected": -89.83954017,
"band_gap": 0.0040999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3652497,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.290000Z",
"spacegroup": 1
},
{
"id": "mp-1177780",
"created_at": "2022-09-04T14:40:08.205018Z",
"structure_string": "Li4 V2 Fe2 P8 O28\n1.0\n4.882102 -8.250138 0.000947\n4.882543 8.250398 0.002081\n2.606004 0.000528 6.661054\nLi V Fe P O\n4 2 2 8 28\ndirect\n0.068143 0.431400 0.324083 Li\n0.318034 0.181304 0.676453 Li\n0.569060 0.932163 0.322973 Li\n0.818438 0.681536 0.676458 Li\n0.756838 0.756234 0.271450 V\n0.494032 0.993255 0.728555 V\n0.257802 0.257067 0.267945 Fe\n0.992467 0.491835 0.732109 Fe\n0.348166 0.528686 0.522037 P\n0.849490 0.029859 0.521200 P\n0.671398 0.454930 0.085459 P\n0.171254 0.955220 0.085669 P\n0.294902 0.578231 0.914727 P\n0.795059 0.078964 0.914183 P\n0.220176 0.901328 0.478382 P\n0.721180 0.401077 0.478330 P\n0.190547 0.124072 0.084287 O\n0.015248 0.193429 0.394116 O\n0.207861 0.053230 0.491959 O\n0.279058 0.472908 0.116140 O\n0.488807 0.313068 0.146459 O\n0.333609 0.371459 0.482301 O\n0.197040 0.542450 0.507906 O\n0.698463 0.042250 0.505778 O\n0.556831 0.235102 0.605088 O\n0.056751 0.735534 0.605703 O\n0.625924 0.059942 0.917306 O\n0.125969 0.558772 0.916926 O\n0.344142 0.497066 0.753806 O\n0.752838 0.405718 0.246294 O\n0.252833 0.906007 0.246544 O\n0.690717 0.624047 0.081400 O\n0.514055 0.692972 0.395040 O\n0.707502 0.551242 0.494350 O\n0.878729 0.415796 0.517764 O\n0.378284 0.916746 0.517699 O\n0.937121 0.262056 0.852293 O\n0.437688 0.760462 0.852865 O\n0.274706 0.971023 0.884712 O\n0.777244 0.470964 0.884101 O\n0.779354 0.975252 0.114914 O\n0.988638 0.812100 0.148524 O\n0.833795 0.871520 0.482377 O\n0.844229 0.997305 0.753335 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"Fe",
"P",
"O"
],
"chemical_system": "Fe-Li-O-P-V",
"density": 2.900180521907568,
"density_atomic": 0.08200454078549829,
"volume": 536.5556538520483,
"volume_molar": 7.343667438797434,
"formula_full": "Li4 V2 Fe2 P8 O28",
"formula_reduced": "Li2VFe(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -340.25289917000003,
"energy_per_atom": -7.733020435681819,
"energy_above_hull": null,
"is_stable": null,
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"formation_energy": null,
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"energy_uncorrected": -313.10489917,
"band_gap": 1.8738,
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"is_magnetic": true,
"total_magnetization": 14.0000601,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:46.884000Z",
"spacegroup": 1
},
{
"id": "mp-774043",
"created_at": "2022-09-04T14:40:08.272400Z",
"structure_string": "Mn1 V1 P4 O14\n1.0\n4.835941 0.020102 0.093026\n0.161996 8.166804 -0.050260\n-2.132243 -0.237874 6.700072\nMn V P O\n1 1 4 14\ndirect\n0.786032 0.003983 0.268250 Mn\n0.210006 0.504473 0.723304 V\n0.390349 0.182350 0.505736 P\n0.242763 0.770900 0.109698 P\n0.771654 0.277524 0.893705 P\n0.607953 0.692325 0.497704 P\n0.025593 0.336898 0.822310 O\n0.165585 0.658334 0.918262 O\n0.152819 0.057713 0.464031 O\n0.269870 0.360323 0.524045 O\n0.399246 0.669380 0.625931 O\n0.564367 0.427951 0.893611 O\n0.589650 0.149444 0.727168 O\n0.426591 0.645008 0.271410 O\n0.423913 0.915903 0.092069 O\n0.577961 0.182565 0.365851 O\n0.719354 0.862282 0.509980 O\n0.846906 0.558276 0.547481 O\n0.868285 0.190615 0.082618 O\n0.966405 0.817313 0.161439 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Mn-O-P-V",
"density": 2.831068174725684,
"density_atomic": 0.07514482708607666,
"volume": 266.15271836463825,
"volume_molar": 8.014045668242444,
"formula_full": "Mn1 V1 P4 O14",
"formula_reduced": "MnV(P2O7)2",
"formula_anonymous": "ABC4D14",
"energy": -159.16392360999998,
"energy_per_atom": -7.958196180499999,
"energy_above_hull": null,
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"energy_uncorrected": -146.17792361,
"band_gap": 1.0275,
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"is_magnetic": true,
"total_magnetization": 4.003471,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.422000Z",
"spacegroup": 1
},
{
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