HTTP 200 OK
Allow: GET, HEAD, OPTIONS
Content-Type: application/json
Vary: Accept
{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=1712",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-id&page=1710",
"results": [
{
"id": "mp-757526",
"created_at": "2022-09-04T14:41:12.493636Z",
"structure_string": "Li4 V3 Co3 W2 O16\n1.0\n3.008557 5.162127 0.000000\n-3.008557 5.162127 0.000000\n0.000000 0.087208 9.773393\nLi V Co W O\n4 3 3 2 16\ndirect\n0.667443 0.667443 0.904730 Li\n0.997229 0.997229 0.988201 Li\n0.997889 0.997889 0.486022 Li\n0.336546 0.336546 0.405426 Li\n0.823510 0.823510 0.225027 V\n0.655358 0.164437 0.717702 V\n0.164437 0.655358 0.717702 V\n0.830373 0.341674 0.211283 Co\n0.341674 0.830373 0.211283 Co\n0.171125 0.171125 0.711380 Co\n0.660627 0.660627 0.490013 W\n0.332478 0.332478 0.989910 W\n0.823360 0.341887 0.586007 O\n0.523608 0.523608 0.352965 O\n0.683860 0.683860 0.108842 O\n0.989981 0.989981 0.296047 O\n0.998636 0.998636 0.799470 O\n0.341887 0.823360 0.586007 O\n0.961558 0.534609 0.352850 O\n0.534609 0.961558 0.352850 O\n0.169470 0.169470 0.082402 O\n0.822526 0.822526 0.592406 O\n0.487576 0.040865 0.850871 O\n0.040865 0.487576 0.850871 O\n0.340664 0.340664 0.607023 O\n0.649314 0.169096 0.089478 O\n0.479592 0.479592 0.851588 O\n0.169096 0.649314 0.089478 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"V",
"Co",
"W",
"O"
],
"chemical_system": "Co-Li-O-V-W",
"density": 5.366383534990023,
"density_atomic": 0.09223499829051307,
"volume": 303.57240222207463,
"volume_molar": 6.529127632259535,
"formula_full": "Li4 V3 Co3 W2 O16",
"formula_reduced": "Li4V3Co3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -215.67154415,
"energy_per_atom": -7.7025551482142856,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.78954415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2273275,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.596000Z",
"spacegroup": 8
},
{
"id": "mp-757524",
"created_at": "2022-09-04T14:39:23.008945Z",
"structure_string": "V4 C8 O24\n1.0\n4.850803 -0.015346 -0.000576\n-2.442436 5.922905 0.034984\n-2.430927 1.801703 16.348246\nV C O\n4 8 24\ndirect\n0.999446 0.500516 0.500012 V\n0.500145 0.249902 0.749996 V\n0.000573 0.999562 0.000003 V\n0.499816 0.750085 0.250025 V\n0.907089 0.162518 0.651010 C\n0.407050 0.911975 0.900987 C\n0.906329 0.662054 0.150889 C\n0.406233 0.412752 0.401010 C\n0.592450 0.587884 0.599017 C\n0.093558 0.337552 0.849058 C\n0.594159 0.087459 0.099005 C\n0.093082 0.837803 0.349014 C\n0.646056 0.140686 0.668802 O\n0.145686 0.889472 0.918557 O\n0.645277 0.639799 0.168533 O\n0.145209 0.390826 0.418668 O\n0.413428 0.650631 0.543963 O\n0.914638 0.400358 0.794114 O\n0.414812 0.149292 0.043840 O\n0.913771 0.899844 0.293905 O\n0.519957 0.519624 0.672918 O\n0.021717 0.269489 0.923081 O\n0.521665 0.019914 0.172985 O\n0.020762 0.770368 0.423025 O\n0.979006 0.230607 0.577026 O\n0.479812 0.980093 0.827054 O\n0.978624 0.729615 0.076852 O\n0.478486 0.480262 0.327051 O\n0.085818 0.099450 0.705998 O\n0.586291 0.849842 0.956109 O\n0.085870 0.600194 0.205940 O\n0.585394 0.350388 0.456113 O\n0.853540 0.609948 0.581309 O\n0.354750 0.359567 0.831303 O\n0.855533 0.109896 0.081471 O\n0.353968 0.859773 0.331357 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"V",
"C",
"O"
],
"chemical_system": "C-O-V",
"density": 2.4223477098138644,
"density_atomic": 0.07679574609210225,
"volume": 468.77596523152044,
"volume_molar": 7.841763465358563,
"formula_full": "V4 C8 O24",
"formula_reduced": "V(CO3)2",
"formula_anonymous": "AB2C6",
"energy": -298.3333814,
"energy_per_atom": -8.287038372222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -275.0453814,
"band_gap": 1.0363,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:38.880000Z",
"spacegroup": 148
},
{
"id": "mp-757523",
"created_at": "2022-09-04T14:40:19.028635Z",
"structure_string": "Li4 Fe4 Si10 O26\n1.0\n7.545493 0.000000 0.000000\n2.085310 7.382164 0.000000\n3.685426 0.053097 9.158971\nLi Fe Si O\n4 4 10 26\ndirect\n0.184716 0.079807 0.867512 Li\n0.159254 0.408030 0.744535 Li\n0.840746 0.591970 0.255465 Li\n0.815284 0.920193 0.132488 Li\n0.028849 0.156245 0.600807 Fe\n0.440909 0.840313 0.400902 Fe\n0.559091 0.159687 0.599098 Fe\n0.971151 0.843755 0.399193 Fe\n0.149562 0.222954 0.265795 Si\n0.214181 0.692729 0.043537 Si\n0.308492 0.457643 0.407899 Si\n0.264755 0.765771 0.728122 Si\n0.629255 0.704907 0.045383 Si\n0.370745 0.295093 0.954617 Si\n0.735245 0.234229 0.271878 Si\n0.691508 0.542357 0.592101 Si\n0.785819 0.307271 0.956463 Si\n0.850438 0.777046 0.734205 Si\n0.022751 0.771502 0.184224 O\n0.158858 0.054942 0.380508 O\n0.295597 0.161624 0.096337 O\n0.200392 0.399665 0.306797 O\n0.073994 0.692657 0.740572 O\n0.414101 0.681110 0.069975 O\n0.237534 0.677530 0.422590 O\n0.277725 0.324347 0.550117 O\n0.549883 0.411340 0.309971 O\n0.369273 0.216439 0.809974 O\n0.211267 0.495567 0.994571 O\n0.301835 0.936395 0.618124 O\n0.212760 0.829897 0.899090 O\n0.787240 0.170103 0.100910 O\n0.698165 0.063605 0.381876 O\n0.788733 0.504433 0.005429 O\n0.630727 0.783561 0.190026 O\n0.450117 0.588660 0.690029 O\n0.722275 0.675653 0.449883 O\n0.762466 0.322470 0.577410 O\n0.585899 0.318890 0.930025 O\n0.926006 0.307343 0.259428 O\n0.799608 0.600335 0.693203 O\n0.704403 0.838376 0.903663 O\n0.841142 0.945058 0.619492 O\n0.977249 0.228498 0.815776 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Si",
"O"
],
"chemical_system": "Fe-Li-O-Si",
"density": 3.0855446576204457,
"density_atomic": 0.08624515020607113,
"volume": 510.17361434084063,
"volume_molar": 6.982584812723857,
"formula_full": "Li4 Fe4 Si10 O26",
"formula_reduced": "Li2Fe2Si5O13",
"formula_anonymous": "A2B2C5D13",
"energy": -348.67387754000003,
"energy_per_atom": -7.924406307727273,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -321.78787754,
"band_gap": 3.0926,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9998416,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.116000Z",
"spacegroup": 2
},
{
"id": "mp-757522",
"created_at": "2022-09-04T14:46:22.029845Z",
"structure_string": "Li6 V6 P16 O58\n1.0\n9.736608 0.000000 0.000000\n4.864574 8.449154 0.000000\n0.113060 0.041687 14.383308\nLi V P O\n6 6 16 58\ndirect\n0.770035 0.907376 0.947038 Li\n0.319704 0.772506 0.948443 Li\n0.324788 0.909814 0.436750 Li\n0.223381 0.679913 0.546207 Li\n0.981663 0.050188 0.006424 Li\n0.919337 0.074284 0.485712 Li\n0.566567 0.998778 0.744403 V\n0.436517 0.002903 0.249050 V\n0.569460 0.432167 0.248563 V\n0.441633 0.557055 0.753295 V\n0.000006 0.435492 0.752346 V\n0.999052 0.560427 0.253181 V\n0.919879 0.301900 0.160076 P\n0.781348 0.305933 0.661290 P\n0.920601 0.774560 0.658852 P\n0.665185 0.670691 0.865836 P\n0.661484 0.667554 0.367809 P\n0.780812 0.907786 0.159549 P\n0.696089 0.084589 0.338109 P\n0.312371 0.777647 0.159152 P\n0.697399 0.215131 0.842738 P\n0.317745 0.905954 0.655126 P\n0.222013 0.083489 0.833890 P\n0.331168 0.336466 0.635549 P\n0.333671 0.336342 0.134547 P\n0.083069 0.216914 0.343127 P\n0.224640 0.684714 0.337138 P\n0.084371 0.692738 0.841959 P\n0.007625 0.190491 0.425728 O\n0.914929 0.346786 0.671787 O\n0.790456 0.197821 0.926896 O\n0.743126 0.344884 0.169461 O\n0.924974 0.457374 0.172898 O\n0.811243 0.523175 0.821825 O\n0.921410 0.616234 0.672841 O\n0.994999 0.790774 0.923280 O\n0.917008 0.735007 0.171607 O\n0.659702 0.523141 0.320514 O\n0.619152 0.463165 0.677205 O\n0.810311 0.664050 0.321733 O\n0.656167 0.678469 0.968918 O\n0.656207 0.667024 0.470925 O\n0.670885 0.817224 0.823792 O\n0.467249 0.618700 0.170461 O\n0.513771 0.672111 0.823727 O\n0.745613 0.912603 0.667366 O\n0.797459 0.005011 0.243641 O\n0.794358 0.006730 0.420723 O\n0.791091 0.976600 0.068720 O\n0.620567 0.910987 0.175297 O\n0.510654 0.818582 0.328353 O\n0.656035 0.080318 0.834711 O\n0.476715 0.904311 0.673893 O\n0.343317 0.735520 0.667103 O\n0.798900 0.198373 0.750607 O\n0.789346 0.219684 0.576153 O\n0.223984 0.771240 0.423814 O\n0.653914 0.260580 0.329878 O\n0.541097 0.077741 0.328165 O\n0.346829 0.916225 0.172439 O\n0.480843 0.185426 0.676850 O\n0.382682 0.079452 0.822478 O\n0.209626 0.993304 0.914233 O\n0.248701 0.971994 0.562897 O\n0.200347 0.008497 0.737799 O\n0.261981 0.084810 0.337542 O\n0.481046 0.336516 0.177116 O\n0.539609 0.377957 0.828947 O\n0.339463 0.184742 0.181247 O\n0.331498 0.333930 0.031832 O\n0.327743 0.349967 0.532923 O\n0.187474 0.333154 0.681889 O\n0.382010 0.529190 0.324325 O\n0.331299 0.484178 0.681769 O\n0.085584 0.257962 0.832180 O\n0.004544 0.194892 0.250483 O\n0.995959 0.207381 0.075933 O\n0.073649 0.380090 0.332245 O\n0.186607 0.477274 0.183102 O\n0.081050 0.536180 0.829045 O\n0.260242 0.655955 0.840379 O\n0.226948 0.797295 0.070097 O\n0.200245 0.795484 0.247492 O\n0.084797 0.652073 0.335070 O\n0.003446 0.786495 0.574882 O\n0.006925 0.795007 0.748827 O\n",
"nsites": 86,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4851283577674836,
"density_atomic": 0.07268064276676575,
"volume": 1183.2586604383293,
"volume_molar": 8.285756056568212,
"formula_full": "Li6 V6 P16 O58",
"formula_reduced": "Li3V3P8O29",
"formula_anonymous": "A3B3C8D29",
"energy": -657.0912749800001,
"energy_per_atom": -7.640596220697676,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -607.04527498,
"band_gap": 0.6859999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0029725,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:35.236000Z",
"spacegroup": 1
},
{
"id": "mp-757520",
"created_at": "2022-09-04T14:39:08.686870Z",
"structure_string": "Li8 Co8 P8 O32\n1.0\n4.846832 0.000000 0.000000\n0.000000 7.585513 0.000000\n0.000000 0.848297 17.428712\nLi Co P O\n8 8 8 32\ndirect\n0.798006 0.125760 0.774766 Li\n0.701994 0.125760 0.274766 Li\n0.215271 0.352236 0.510521 Li\n0.284729 0.352236 0.010521 Li\n0.715271 0.647764 0.989479 Li\n0.784729 0.647764 0.489479 Li\n0.298006 0.874240 0.725234 Li\n0.201994 0.874240 0.225234 Li\n0.724897 0.026484 0.597317 Co\n0.775103 0.026484 0.097317 Co\n0.375053 0.507403 0.823536 Co\n0.124947 0.507403 0.323536 Co\n0.875053 0.492597 0.676464 Co\n0.624947 0.492597 0.176464 Co\n0.224897 0.973516 0.902683 Co\n0.275103 0.973516 0.402683 Co\n0.373553 0.255727 0.675125 P\n0.126447 0.255727 0.175125 P\n0.691936 0.228478 0.930687 P\n0.808064 0.228478 0.430687 P\n0.191936 0.771522 0.569313 P\n0.308064 0.771522 0.069313 P\n0.873553 0.744273 0.824875 P\n0.626447 0.744273 0.324875 P\n0.514691 0.078117 0.701056 O\n0.985309 0.078117 0.201056 O\n0.593102 0.172128 0.012598 O\n0.555441 0.116858 0.868773 O\n0.455927 0.285290 0.590966 O\n0.060217 0.254748 0.692586 O\n0.906898 0.172128 0.512598 O\n0.944559 0.116858 0.368774 O\n0.044073 0.285290 0.090966 O\n0.439783 0.254748 0.192586 O\n0.009461 0.216489 0.921684 O\n0.490539 0.216489 0.421684 O\n0.507496 0.408712 0.722400 O\n0.992504 0.408712 0.222400 O\n0.574105 0.422806 0.917832 O\n0.925895 0.422806 0.417832 O\n0.074105 0.577194 0.582168 O\n0.425895 0.577194 0.082168 O\n0.007496 0.591288 0.777600 O\n0.492504 0.591288 0.277600 O\n0.509461 0.783511 0.578316 O\n0.990539 0.783511 0.078316 O\n0.560217 0.745252 0.807414 O\n0.955927 0.714710 0.909034 O\n0.055441 0.883142 0.631227 O\n0.093102 0.827872 0.487402 O\n0.939783 0.745252 0.307414 O\n0.544073 0.714710 0.409034 O\n0.444559 0.883142 0.131227 O\n0.406898 0.827872 0.987402 O\n0.014691 0.921883 0.798944 O\n0.485309 0.921883 0.298944 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 3.3345707507890805,
"density_atomic": 0.08739363630454065,
"volume": 640.7789213033403,
"volume_molar": 6.890822964517281,
"formula_full": "Li8 Co8 P8 O32",
"formula_reduced": "LiCoPO4",
"formula_anonymous": "ABCD4",
"energy": -403.84874581,
"energy_per_atom": -7.211584746607143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -368.76074581,
"band_gap": 2.5252,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.999462,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.014000Z",
"spacegroup": 14
},
{
"id": "mp-757519",
"created_at": "2022-09-04T14:39:10.996167Z",
"structure_string": "Li8 Co4 Si16 O40\n1.0\n7.068839 0.000000 0.000000\n0.000000 9.583920 0.000000\n0.000000 0.000000 14.276804\nLi Co Si O\n8 4 16 40\ndirect\n0.662001 0.089655 0.824176 Li\n0.063732 0.158626 0.532131 Li\n0.563732 0.341374 0.467869 Li\n0.162001 0.410345 0.175824 Li\n0.337999 0.589655 0.675824 Li\n0.936268 0.658626 0.967869 Li\n0.436268 0.841374 0.032131 Li\n0.837999 0.910345 0.324176 Li\n0.001637 0.193397 0.345854 Co\n0.501637 0.306603 0.654146 Co\n0.998363 0.693397 0.154146 Co\n0.498363 0.806603 0.845854 Co\n0.468612 0.026430 0.568482 Si\n0.241525 0.060621 0.898408 Si\n0.311244 0.100324 0.218319 Si\n0.733679 0.136787 0.175663 Si\n0.233679 0.363213 0.824337 Si\n0.811244 0.399676 0.781681 Si\n0.741525 0.439379 0.101592 Si\n0.968612 0.473570 0.431518 Si\n0.531388 0.526430 0.931518 Si\n0.758475 0.560621 0.601592 Si\n0.688756 0.600324 0.281681 Si\n0.266321 0.636787 0.324337 Si\n0.766321 0.863213 0.675663 Si\n0.188756 0.899676 0.718319 Si\n0.258475 0.939379 0.398408 Si\n0.031388 0.973570 0.068482 Si\n0.124678 0.985301 0.812536 O\n0.192447 0.988066 0.152193 O\n0.076007 0.029785 0.429331 O\n0.819692 0.016052 0.105332 O\n0.088011 0.081283 0.983832 O\n0.504219 0.137827 0.160294 O\n0.794838 0.100835 0.282022 O\n0.465171 0.189594 0.538963 O\n0.315896 0.212421 0.860247 O\n0.188287 0.237245 0.244617 O\n0.688287 0.262755 0.755383 O\n0.815896 0.287579 0.139753 O\n0.965171 0.310406 0.461037 O\n0.294838 0.399165 0.717978 O\n0.004219 0.362173 0.839706 O\n0.588011 0.418717 0.016168 O\n0.319692 0.483948 0.894668 O\n0.576007 0.470215 0.570669 O\n0.692447 0.511934 0.847807 O\n0.624678 0.514699 0.187464 O\n0.875322 0.485301 0.687464 O\n0.807553 0.488066 0.347807 O\n0.923993 0.529785 0.070669 O\n0.180308 0.516052 0.394668 O\n0.911989 0.581283 0.516168 O\n0.495781 0.637827 0.339706 O\n0.205162 0.600835 0.217978 O\n0.534829 0.689594 0.961037 O\n0.684104 0.712421 0.639753 O\n0.811713 0.737245 0.255383 O\n0.311713 0.762755 0.744617 O\n0.184104 0.787579 0.360247 O\n0.034829 0.810406 0.038963 O\n0.705162 0.899165 0.782022 O\n0.995781 0.862173 0.660294 O\n0.411989 0.918717 0.483832 O\n0.680308 0.983948 0.605332 O\n0.423993 0.970215 0.929331 O\n0.307553 0.011934 0.652193 O\n0.375322 0.014699 0.312536 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Li",
"Co",
"Si",
"O"
],
"chemical_system": "Co-Li-O-Si",
"density": 2.370261174370624,
"density_atomic": 0.07030507004162198,
"volume": 967.2133170444558,
"volume_molar": 8.565727559100324,
"formula_full": "Li8 Co4 Si16 O40",
"formula_reduced": "Li2Co(Si2O5)2",
"formula_anonymous": "AB2C4D10",
"energy": -521.39713257,
"energy_per_atom": -7.667604890735295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -487.36513257,
"band_gap": 4.2573,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9998738,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.519000Z",
"spacegroup": 19
},
{
"id": "mp-757517",
"created_at": "2022-09-04T14:42:17.590514Z",
"structure_string": "Li12 V6 P16 O58\n1.0\n9.810763 0.000000 0.000000\n4.905267 8.523120 0.000000\n0.116672 0.001876 13.942077\nLi V P O\n12 6 16 58\ndirect\n0.223213 0.079302 0.558736 Li\n0.086352 0.685753 0.560547 Li\n0.325218 0.340119 0.383949 Li\n0.324084 0.338567 0.885880 Li\n0.236218 0.672390 0.065136 Li\n0.675585 0.090270 0.062708 Li\n0.685216 0.227167 0.561067 Li\n0.334771 0.899666 0.941676 Li\n0.766901 0.337533 0.942429 Li\n0.908462 0.318677 0.435944 Li\n0.774609 0.904435 0.439541 Li\n0.000149 0.999255 0.004318 Li\n0.435292 0.568300 0.254046 V\n0.568421 0.434486 0.746248 V\n0.431612 0.998698 0.748140 V\n0.564141 0.998389 0.248620 V\n0.003290 0.434018 0.242244 V\n0.992472 0.570116 0.756270 V\n0.086101 0.222195 0.840198 P\n0.227835 0.091435 0.341423 P\n0.089326 0.678687 0.343904 P\n0.336895 0.336220 0.127102 P\n0.330407 0.334273 0.627345 P\n0.227338 0.682662 0.845037 P\n0.314144 0.769091 0.658576 P\n0.680760 0.094120 0.843796 P\n0.312734 0.913938 0.157187 P\n0.677699 0.228898 0.341899 P\n0.771906 0.314256 0.157695 P\n0.672376 0.663496 0.370604 P\n0.662374 0.665329 0.874089 P\n0.915906 0.320477 0.654286 P\n0.770104 0.914284 0.659982 P\n0.916922 0.776396 0.158345 P\n0.000844 0.244213 0.562576 O\n0.079218 0.255274 0.338871 O\n0.227199 0.989596 0.066191 O\n0.257326 0.078805 0.840316 O\n0.101137 0.372063 0.833947 O\n0.191115 0.330920 0.169641 O\n0.109753 0.513499 0.326191 O\n0.010317 0.791120 0.077089 O\n0.083846 0.661504 0.841535 O\n0.327258 0.184222 0.665276 O\n0.371586 0.116637 0.321175 O\n0.183143 0.482199 0.670934 O\n0.337588 0.338693 0.019090 O\n0.328813 0.336099 0.519530 O\n0.328341 0.489268 0.166581 O\n0.517080 0.109616 0.830225 O\n0.490185 0.187612 0.164414 O\n0.254119 0.659414 0.340960 O\n0.213986 0.793650 0.756076 O\n0.229963 0.758611 0.574392 O\n0.231463 0.767320 0.934552 O\n0.375778 0.519359 0.830022 O\n0.485354 0.327467 0.664018 O\n0.339814 0.745572 0.163119 O\n0.510218 0.370826 0.325649 O\n0.663766 0.079515 0.343949 O\n0.208524 0.001912 0.250423 O\n0.245562 0.004107 0.431922 O\n0.754364 0.003319 0.568976 O\n0.337407 0.914145 0.658054 O\n0.475921 0.617953 0.676438 O\n0.659505 0.262147 0.836868 O\n0.528252 0.658588 0.325962 O\n0.614534 0.467207 0.168763 O\n0.777805 0.221932 0.068918 O\n0.753164 0.247033 0.430777 O\n0.787418 0.207471 0.250923 O\n0.752107 0.331897 0.657995 O\n0.512408 0.812665 0.833903 O\n0.469550 0.914273 0.168720 O\n0.673125 0.512414 0.831696 O\n0.664991 0.661150 0.980460 O\n0.676291 0.659355 0.477219 O\n0.822670 0.518086 0.326321 O\n0.619035 0.904998 0.680496 O\n0.667104 0.817381 0.329885 O\n0.912329 0.339347 0.161082 O\n0.014146 0.202860 0.740952 O\n0.991951 0.211641 0.921564 O\n0.902217 0.479140 0.673963 O\n0.811771 0.667008 0.828061 O\n0.915761 0.620901 0.164804 O\n0.747958 0.917860 0.159454 O\n0.766294 0.016963 0.933694 O\n0.788093 0.004759 0.750909 O\n0.915653 0.750542 0.660185 O\n0.998079 0.752048 0.434805 O\n0.991158 0.794201 0.258103 O\n",
"nsites": 92,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.5816358751963646,
"density_atomic": 0.07891489132858175,
"volume": 1165.8129213779837,
"volume_molar": 7.6311842525706854,
"formula_full": "Li12 V6 P16 O58",
"formula_reduced": "Li6V3P8O29",
"formula_anonymous": "A3B6C8D29",
"energy": -695.5043358800001,
"energy_per_atom": -7.559829737826088,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -645.45833588,
"band_gap": 1.3142,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0006382,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.275000Z",
"spacegroup": 1
},
{
"id": "mp-757516",
"created_at": "2022-09-04T14:41:15.181007Z",
"structure_string": "Li4 Ni16 P12 O48\n1.0\n7.683687 0.000000 0.000000\n0.000000 10.215277 0.000000\n0.000000 0.000000 12.994347\nLi Ni P O\n4 16 12 48\ndirect\n0.750000 0.274528 0.250000 Li\n0.750000 0.774528 0.250000 Li\n0.250000 0.725472 0.750000 Li\n0.250000 0.225472 0.750000 Li\n0.112223 0.797788 0.029277 Ni\n0.387777 0.297788 0.029277 Ni\n0.399984 0.006686 0.160514 Ni\n0.100016 0.506686 0.160514 Ni\n0.399984 0.506686 0.339486 Ni\n0.100016 0.006686 0.339486 Ni\n0.112223 0.297788 0.470723 Ni\n0.387777 0.797788 0.470723 Ni\n0.887777 0.702212 0.529277 Ni\n0.612223 0.202212 0.529277 Ni\n0.600016 0.493314 0.660514 Ni\n0.899984 0.993314 0.660514 Ni\n0.600016 0.993314 0.839486 Ni\n0.899984 0.493314 0.839486 Ni\n0.612223 0.702212 0.970723 Ni\n0.887777 0.202212 0.970723 Ni\n0.745906 0.428792 0.070734 P\n0.754094 0.928792 0.070734 P\n0.250000 0.248860 0.250000 P\n0.250000 0.748860 0.250000 P\n0.745906 0.928792 0.429266 P\n0.754094 0.428792 0.429266 P\n0.245906 0.571208 0.570734 P\n0.254094 0.071208 0.570734 P\n0.750000 0.751140 0.750000 P\n0.750000 0.251140 0.750000 P\n0.245906 0.071208 0.929266 P\n0.254094 0.571208 0.929266 P\n0.146819 0.601209 0.031289 O\n0.353181 0.101209 0.031289 O\n0.650042 0.558127 0.062685 O\n0.849958 0.058127 0.062685 O\n0.874237 0.808188 0.087272 O\n0.625763 0.308188 0.087272 O\n0.625997 0.923470 0.162840 O\n0.874003 0.423470 0.162840 O\n0.252037 0.843653 0.154303 O\n0.247963 0.343653 0.154303 O\n0.084449 0.663714 0.248386 O\n0.415551 0.163714 0.248386 O\n0.084449 0.163714 0.251614 O\n0.415551 0.663714 0.251614 O\n0.252037 0.343653 0.345697 O\n0.247963 0.843653 0.345697 O\n0.874003 0.923470 0.337160 O\n0.625997 0.423470 0.337160 O\n0.874237 0.308188 0.412728 O\n0.625763 0.808188 0.412728 O\n0.849958 0.558127 0.437315 O\n0.650042 0.058127 0.437315 O\n0.353181 0.601209 0.468711 O\n0.146819 0.101209 0.468711 O\n0.646819 0.398791 0.531289 O\n0.853181 0.898791 0.531289 O\n0.150042 0.441873 0.562685 O\n0.349958 0.941873 0.562685 O\n0.125763 0.691812 0.587272 O\n0.374237 0.191812 0.587272 O\n0.125997 0.076530 0.662840 O\n0.374003 0.576530 0.662840 O\n0.747963 0.656347 0.654303 O\n0.752037 0.156347 0.654303 O\n0.584449 0.336286 0.748386 O\n0.915551 0.836286 0.748386 O\n0.584449 0.836286 0.751614 O\n0.915551 0.336286 0.751614 O\n0.747963 0.156347 0.845697 O\n0.752037 0.656347 0.845697 O\n0.125997 0.576530 0.837160 O\n0.374003 0.076530 0.837160 O\n0.125763 0.191812 0.912728 O\n0.374237 0.691812 0.912728 O\n0.150042 0.941873 0.937315 O\n0.349958 0.441873 0.937315 O\n0.646819 0.898791 0.968711 O\n0.853181 0.398791 0.968711 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Li",
"Ni",
"P",
"O"
],
"chemical_system": "Li-Ni-O-P",
"density": 3.4295672860361357,
"density_atomic": 0.07843604990989095,
"volume": 1019.9391745492761,
"volume_molar": 7.677771594717438,
"formula_full": "Li4 Ni16 P12 O48",
"formula_reduced": "LiNi4(PO4)3",
"formula_anonymous": "AB3C4D12",
"energy": -570.89397287,
"energy_per_atom": -7.136174660875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -497.26197287,
"band_gap": 3.2862,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 32.0005029,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:16.729000Z",
"spacegroup": 56
},
{
"id": "mp-757515",
"created_at": "2022-09-04T14:43:09.975520Z",
"structure_string": "Li8 Cr4 P8 O32\n1.0\n12.455030 0.000000 0.000000\n0.000000 6.253160 0.000000\n0.000000 1.020195 7.396169\nLi Cr P O\n8 4 8 32\ndirect\n0.224710 0.366139 0.057768 Li\n0.275290 0.866139 0.057768 Li\n0.623733 0.053510 0.542911 Li\n0.123733 0.446490 0.457089 Li\n0.876267 0.553510 0.542911 Li\n0.376267 0.946490 0.457089 Li\n0.724710 0.133861 0.942232 Li\n0.775290 0.633861 0.942232 Li\n0.923589 0.244420 0.228925 Cr\n0.576411 0.744420 0.228925 Cr\n0.423589 0.255580 0.771075 Cr\n0.076411 0.755580 0.771075 Cr\n0.529504 0.259793 0.169972 P\n0.970496 0.759793 0.169972 P\n0.357777 0.461898 0.362969 P\n0.142223 0.961898 0.362969 P\n0.857777 0.038102 0.637031 P\n0.642223 0.538102 0.637031 P\n0.029504 0.240207 0.830028 P\n0.470496 0.740207 0.830028 P\n0.034716 0.272513 0.029629 O\n0.465284 0.772513 0.029629 O\n0.816739 0.329395 0.089791 O\n0.683261 0.829395 0.089791 O\n0.409677 0.334276 0.206717 O\n0.546413 0.045897 0.297302 O\n0.606319 0.433418 0.215829 O\n0.253719 0.011212 0.287174 O\n0.090323 0.834276 0.206717 O\n0.953587 0.545897 0.297302 O\n0.893681 0.933418 0.215829 O\n0.246281 0.511212 0.287174 O\n0.071119 0.157793 0.379673 O\n0.428881 0.657793 0.379673 O\n0.853531 0.207619 0.465940 O\n0.646469 0.707619 0.465940 O\n0.353531 0.292381 0.534060 O\n0.146469 0.792381 0.534060 O\n0.571119 0.342207 0.620327 O\n0.928881 0.842207 0.620327 O\n0.753719 0.488788 0.712826 O\n0.106319 0.066582 0.784171 O\n0.046413 0.454103 0.702698 O\n0.909677 0.165724 0.793283 O\n0.746281 0.988788 0.712826 O\n0.393681 0.566582 0.784171 O\n0.453587 0.954103 0.702698 O\n0.590323 0.665724 0.793283 O\n0.316739 0.170605 0.910209 O\n0.183261 0.670605 0.910209 O\n0.534716 0.227487 0.970371 O\n0.965284 0.727487 0.970371 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.949808597541032,
"density_atomic": 0.0902718199917375,
"volume": 576.0380150168626,
"volume_molar": 6.671119249120271,
"formula_full": "Li8 Cr4 P8 O32",
"formula_reduced": "Li2Cr(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -385.56180461,
"energy_per_atom": -7.414650088653847,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -355.58180461,
"band_gap": 1.7776,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 7.9985134,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.703000Z",
"spacegroup": 14
},
{
"id": "mp-757514",
"created_at": "2022-09-04T14:48:09.421942Z",
"structure_string": "Li8 Cu4 Si6 O20\n1.0\n2.751436 4.631422 0.000000\n-2.751436 4.631422 0.000000\n0.000000 2.345317 16.077306\nLi Cu Si O\n8 4 6 20\ndirect\n0.835285 0.682447 0.946874 Li\n0.584142 0.787522 0.765600 Li\n0.682447 0.835285 0.446874 Li\n0.787522 0.584142 0.265600 Li\n0.212478 0.415858 0.734400 Li\n0.317553 0.164715 0.553126 Li\n0.415858 0.212478 0.234400 Li\n0.164715 0.317553 0.053126 Li\n0.200585 0.979750 0.917958 Cu\n0.979750 0.200585 0.417958 Cu\n0.020250 0.799415 0.582042 Cu\n0.799415 0.020250 0.082042 Cu\n0.656053 0.470873 0.596888 Si\n0.891031 0.108969 0.750000 Si\n0.529127 0.343947 0.903112 Si\n0.470873 0.656053 0.096888 Si\n0.108969 0.891031 0.250000 Si\n0.343947 0.529127 0.403112 Si\n0.932776 0.837712 0.704973 O\n0.837712 0.932776 0.204973 O\n0.607118 0.784637 0.565749 O\n0.567564 0.631977 0.886560 O\n0.802100 0.402599 0.688284 O\n0.778400 0.090382 0.959229 O\n0.909618 0.221600 0.540771 O\n0.784637 0.607118 0.065749 O\n0.631977 0.567564 0.386560 O\n0.597401 0.197900 0.811716 O\n0.402599 0.802100 0.188284 O\n0.368023 0.432436 0.613440 O\n0.215363 0.392882 0.934251 O\n0.090382 0.778400 0.459229 O\n0.221600 0.909618 0.040771 O\n0.197900 0.597401 0.311716 O\n0.432436 0.368023 0.113440 O\n0.392882 0.215363 0.434251 O\n0.162288 0.067224 0.795027 O\n0.067224 0.162288 0.295027 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Li",
"Cu",
"Si",
"O"
],
"chemical_system": "Cu-Li-O-Si",
"density": 3.2348254479894014,
"density_atomic": 0.09273988511400637,
"volume": 409.7481892853986,
"volume_molar": 6.493582294820512,
"formula_full": "Li8 Cu4 Si6 O20",
"formula_reduced": "Li4Cu2Si3O10",
"formula_anonymous": "A2B3C4D10",
"energy": -257.18216954,
"energy_per_atom": -6.76795183,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -243.44216954,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.7862678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:27.549000Z",
"spacegroup": 15
},
{
"id": "mp-757513",
"created_at": "2022-09-04T14:46:56.794079Z",
"structure_string": "Li8 Mn12 Co4 O32\n1.0\n8.302939 0.000000 0.000000\n0.000000 8.302939 0.000000\n0.000000 0.000000 8.302939\nLi Mn Co O\n8 12 4 32\ndirect\n0.124442 0.875558 0.375558 Li\n0.251610 0.751610 0.748390 Li\n0.248390 0.248390 0.248390 Li\n0.375558 0.124442 0.875558 Li\n0.624442 0.624442 0.624442 Li\n0.751610 0.748390 0.251610 Li\n0.748390 0.251610 0.751610 Li\n0.875558 0.375558 0.124442 Li\n0.124199 0.623016 0.121990 Mn\n0.123016 0.378010 0.875801 Mn\n0.121990 0.124199 0.623016 Mn\n0.378010 0.875801 0.123016 Mn\n0.376984 0.621990 0.375801 Mn\n0.375801 0.376984 0.621990 Mn\n0.624199 0.876984 0.878010 Mn\n0.623016 0.121990 0.124199 Mn\n0.621990 0.375801 0.376984 Mn\n0.878010 0.624199 0.876984 Mn\n0.876984 0.878010 0.624199 Mn\n0.875801 0.123016 0.378010 Mn\n0.997033 0.502967 0.497033 Co\n0.502967 0.497033 0.997033 Co\n0.497033 0.997033 0.502967 Co\n0.002967 0.002967 0.002967 Co\n0.101541 0.127854 0.393304 O\n0.106696 0.898459 0.627854 O\n0.113956 0.613956 0.886044 O\n0.127854 0.393304 0.101541 O\n0.121590 0.147330 0.859720 O\n0.135859 0.364141 0.635859 O\n0.140280 0.621590 0.352670 O\n0.147330 0.859720 0.121590 O\n0.352670 0.140280 0.621590 O\n0.359720 0.378410 0.852670 O\n0.364141 0.635859 0.135859 O\n0.378410 0.852670 0.359720 O\n0.372146 0.606696 0.601541 O\n0.386044 0.386044 0.386044 O\n0.393304 0.101541 0.127854 O\n0.398459 0.872146 0.893304 O\n0.601541 0.372146 0.606696 O\n0.606696 0.601541 0.372146 O\n0.613956 0.886044 0.113956 O\n0.627854 0.106696 0.898459 O\n0.621590 0.352670 0.140280 O\n0.635859 0.135859 0.364141 O\n0.640280 0.878410 0.647330 O\n0.647330 0.640280 0.878410 O\n0.852670 0.359720 0.378410 O\n0.859720 0.121590 0.147330 O\n0.864141 0.864141 0.864141 O\n0.878410 0.647330 0.640280 O\n0.872146 0.893304 0.398459 O\n0.886044 0.113956 0.613956 O\n0.893304 0.398459 0.872146 O\n0.898459 0.627854 0.106696 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.242763970386486,
"density_atomic": 0.09783460259062772,
"volume": 572.3946182346392,
"volume_molar": 6.155430287991893,
"formula_full": "Li8 Mn12 Co4 O32",
"formula_reduced": "Li2Mn3CoO8",
"formula_anonymous": "AB2C3D8",
"energy": -421.0808513500001,
"energy_per_atom": -7.519300916964288,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -372.52885135,
"band_gap": 1.0346000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 48.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.641000Z",
"spacegroup": 198
},
{
"id": "mp-757512",
"created_at": "2022-09-04T14:42:19.786981Z",
"structure_string": "Li4 Cr8 Si8 O26\n1.0\n-6.939876 0.000000 0.000000\n1.340053 7.758330 0.000000\n-0.310218 -3.202439 -9.828253\nLi Cr Si O\n4 8 8 26\ndirect\n0.778810 0.598024 0.111429 Li\n0.247519 0.410044 0.412172 Li\n0.752481 0.589956 0.587828 Li\n0.221190 0.401976 0.888571 Li\n0.082363 0.813428 0.997353 Cr\n0.566561 0.811463 0.007126 Cr\n0.571695 0.788634 0.379800 Cr\n0.068699 0.784906 0.376398 Cr\n0.931301 0.215094 0.623602 Cr\n0.428305 0.211366 0.620200 Cr\n0.433439 0.188537 0.992874 Cr\n0.917637 0.186572 0.002647 Cr\n0.276811 0.574669 0.166955 Si\n0.719375 0.392029 0.297563 Si\n0.376579 0.091525 0.276956 Si\n0.927780 0.084096 0.281234 Si\n0.072220 0.915904 0.718766 Si\n0.623421 0.908475 0.723044 Si\n0.280625 0.607971 0.702437 Si\n0.723189 0.425331 0.833045 Si\n0.885550 0.002542 0.117748 O\n0.230496 0.361518 0.073812 O\n0.499963 0.667686 0.141329 O\n0.096727 0.681707 0.145551 O\n0.741979 0.356636 0.135563 O\n0.401911 0.010527 0.114065 O\n0.855632 0.946049 0.369550 O\n0.399549 0.971825 0.374521 O\n0.273398 0.608873 0.336539 O\n0.762784 0.605254 0.390587 O\n0.161571 0.149789 0.309850 O\n0.500507 0.302784 0.336925 O\n0.863295 0.283447 0.355738 O\n0.136705 0.716553 0.644262 O\n0.499493 0.697216 0.663075 O\n0.838429 0.850211 0.690150 O\n0.237216 0.394746 0.609413 O\n0.726602 0.391127 0.663461 O\n0.600451 0.028175 0.625479 O\n0.144368 0.053951 0.630450 O\n0.598089 0.989473 0.885935 O\n0.258021 0.643364 0.864437 O\n0.903273 0.318293 0.854449 O\n0.500037 0.332314 0.858671 O\n0.769504 0.638482 0.926188 O\n0.114450 0.997458 0.882252 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Si",
"O"
],
"chemical_system": "Cr-Li-O-Si",
"density": 3.402849959589758,
"density_atomic": 0.08692837177319732,
"volume": 529.1713057736486,
"volume_molar": 6.927704542438939,
"formula_full": "Li4 Cr8 Si8 O26",
"formula_reduced": "Li2Cr4Si4O13",
"formula_anonymous": "A2B4C4D13",
"energy": -379.68785968,
"energy_per_atom": -8.254083906086956,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -345.83385968,
"band_gap": 1.1021999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 32.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.008000Z",
"spacegroup": 2
}
]
}