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=total_magnetization&page=10209",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10207",
"results": [
{
"id": "mp-759630",
"created_at": "2022-09-04T14:48:03.163627Z",
"structure_string": "Li4 V2 Cr2 P8 O28\n1.0\n8.221405 0.000000 0.000000\n0.000000 7.151277 0.000000\n0.000000 3.564812 9.066712\nLi V Cr P O\n4 2 2 8 28\ndirect\n0.636991 0.676497 0.750286 Li\n0.137201 0.323339 0.750032 Li\n0.637201 0.676661 0.249968 Li\n0.136991 0.323503 0.249714 Li\n0.000365 0.729306 0.743497 V\n0.500365 0.270694 0.256503 V\n0.499917 0.272166 0.756757 Cr\n0.999917 0.727834 0.243243 Cr\n0.217213 0.914226 0.937207 P\n0.320251 0.521549 0.938714 P\n0.819413 0.477114 0.560898 P\n0.215087 0.913961 0.435901 P\n0.715087 0.086039 0.564099 P\n0.319413 0.522886 0.439102 P\n0.820251 0.478451 0.061286 P\n0.717213 0.085774 0.062793 P\n0.348435 0.752902 0.920579 O\n0.066707 0.919577 0.842130 O\n0.821760 0.605832 0.895723 O\n0.155761 0.504773 0.871048 O\n0.463212 0.481331 0.852343 O\n0.676809 0.145481 0.900414 O\n0.307465 0.115362 0.876383 O\n0.802556 0.884444 0.622770 O\n0.176437 0.851005 0.599399 O\n0.961467 0.517508 0.648256 O\n0.653775 0.490112 0.630257 O\n0.320219 0.393458 0.603662 O\n0.565062 0.084280 0.658048 O\n0.848316 0.246090 0.579323 O\n0.348316 0.753910 0.420677 O\n0.065062 0.915720 0.341952 O\n0.820219 0.606542 0.396338 O\n0.153775 0.509888 0.369743 O\n0.461467 0.482492 0.351744 O\n0.676437 0.148995 0.400601 O\n0.302556 0.115556 0.377230 O\n0.807465 0.884638 0.123617 O\n0.176809 0.854519 0.099586 O\n0.963212 0.518669 0.147657 O\n0.655761 0.495227 0.128952 O\n0.321760 0.394168 0.104277 O\n0.566707 0.080423 0.157870 O\n0.848435 0.247098 0.079421 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"V",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P-V",
"density": 2.8951971374579375,
"density_atomic": 0.08254166260024388,
"volume": 533.064135297294,
"volume_molar": 7.295880129245429,
"formula_full": "Li4 V2 Cr2 P8 O28",
"formula_reduced": "Li2VCr(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -346.03157536000003,
"energy_per_atom": -7.864353985454546,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -319.39757536,
"band_gap": 2.1061,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001675,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:21.866000Z",
"spacegroup": 4
},
{
"id": "mp-1252807",
"created_at": "2022-09-04T14:44:25.625553Z",
"structure_string": "Sr4 Al2 Ga2 Co4 O14\n1.0\n5.295118 -0.003193 -1.218010\n-0.293249 5.482398 -1.276697\n-0.085800 -0.136348 11.760495\nSr Al Ga Co O\n4 2 2 4 14\ndirect\n0.149993 0.172653 0.299121 Sr\n0.851520 0.827226 0.701511 Sr\n0.651028 0.622390 0.299906 Sr\n0.350318 0.376074 0.701340 Sr\n0.503323 0.499503 0.001476 Al\n0.003442 0.000549 0.001210 Al\n0.218461 0.821908 0.501091 Ga\n0.717963 0.177539 0.498548 Ga\n0.438383 0.943280 0.869074 Co\n0.071435 0.574008 0.132814 Co\n0.939102 0.428651 0.873238 Co\n0.571288 0.056218 0.134722 Co\n0.873008 0.227268 0.107169 O\n0.872413 0.876580 0.500044 O\n0.373422 0.378084 0.107779 O\n0.857604 0.376349 0.650451 O\n0.614495 0.276373 0.884975 O\n0.113437 0.109592 0.885069 O\n0.373099 0.122564 0.500342 O\n0.267242 0.620126 0.894584 O\n0.768337 0.772562 0.894542 O\n0.355041 0.785463 0.656545 O\n0.201093 0.625707 0.347070 O\n0.697276 0.211990 0.342669 O\n0.728996 0.723789 0.117556 O\n0.228951 0.890884 0.116945 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Al",
"Ga",
"Co",
"O"
],
"chemical_system": "Al-Co-Ga-O-Sr",
"density": 4.903724282208263,
"density_atomic": 0.07650394278045436,
"volume": 339.8517652170291,
"volume_molar": 7.871673721813159,
"formula_full": "Sr4 Al2 Ga2 Co4 O14",
"formula_reduced": "Sr2AlGaCo2O7",
"formula_anonymous": "ABC2D2E7",
"energy": -179.93142038000002,
"energy_per_atom": -6.920439245384616,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.76142038,
"band_gap": 0.8266999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.645000Z",
"spacegroup": 5
},
{
"id": "mp-1174883",
"created_at": "2022-09-04T14:41:21.359953Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n1.433108 4.886067 0.000000\n-1.433108 4.886067 0.000000\n0.000000 2.150411 17.898523\nLi Mn Co O\n8 2 4 14\ndirect\n0.286145 0.286145 0.919307 Li\n0.867853 0.867853 0.793666 Li\n0.430015 0.430015 0.648752 Li\n0.006342 0.006342 0.501082 Li\n0.569725 0.569725 0.361778 Li\n0.139254 0.139254 0.212148 Li\n0.710361 0.710361 0.064711 Li\n0.568522 0.568522 0.857197 Li\n0.992012 0.992012 0.991492 Mn\n0.859813 0.859813 0.286209 Mn\n0.149853 0.149853 0.727683 Co\n0.713792 0.713792 0.574494 Co\n0.291171 0.291171 0.433038 Co\n0.420879 0.420879 0.137465 Co\n0.364042 0.364042 0.028508 O\n0.931245 0.931245 0.899952 O\n0.514701 0.514701 0.745578 O\n0.091079 0.091079 0.603770 O\n0.656142 0.656142 0.474172 O\n0.228946 0.228946 0.321596 O\n0.794138 0.794138 0.170048 O\n0.219954 0.219954 0.813788 O\n0.770956 0.770956 0.669964 O\n0.339084 0.339084 0.542865 O\n0.927741 0.927741 0.399709 O\n0.488606 0.488606 0.250525 O\n0.046245 0.046245 0.102402 O\n0.621383 0.621383 0.968100 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.141263337966217,
"density_atomic": 0.11170497179790863,
"volume": 250.6602844021686,
"volume_molar": 5.391112555755328,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
"formula_anonymous": "AB2C4D7",
"energy": -182.60647788,
"energy_per_atom": -6.521659924285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.10047788,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001681,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.059000Z",
"spacegroup": 8
},
{
"id": "mp-755016",
"created_at": "2022-09-04T14:47:54.856166Z",
"structure_string": "V6 O8 F4\n1.0\n5.617882 0.000000 0.000000\n1.350964 5.452615 0.000000\n2.019200 1.576268 6.633279\nV O F\n6 8 4\ndirect\n0.500000 0.500000 0.500000 V\n0.209382 0.122624 0.334035 V\n0.500000 0.500000 0.000000 V\n0.173509 0.167681 0.829650 V\n0.826491 0.832319 0.170350 V\n0.790618 0.877376 0.665965 V\n0.063857 0.066836 0.627544 O\n0.395378 0.391924 0.300773 O\n0.734411 0.737649 0.961400 O\n0.936143 0.933164 0.372456 O\n0.604622 0.608076 0.699227 O\n0.265589 0.262351 0.038600 O\n0.468179 0.862716 0.332992 O\n0.531821 0.137284 0.667008 O\n0.865261 0.466443 0.330688 F\n0.193710 0.803229 0.002229 F\n0.134739 0.533557 0.669312 F\n0.806290 0.196771 0.997771 F\n",
"nsites": 18,
"nelements": 3,
"elements": [
"V",
"O",
"F"
],
"chemical_system": "F-O-V",
"density": 4.1649043254797675,
"density_atomic": 0.08858634713054292,
"volume": 203.1915818074627,
"volume_molar": 6.798046149397754,
"formula_full": "V6 O8 F4",
"formula_reduced": "V3(O2F)2",
"formula_anonymous": "A2B3C4",
"energy": -150.43719641,
"energy_per_atom": -8.357622022777779,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.89319641,
"band_gap": 0.9618000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 10.0001685,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:55.308000Z",
"spacegroup": 2
},
{
"id": "mp-1232983",
"created_at": "2022-09-04T14:46:09.219108Z",
"structure_string": "Sr4 Li1 Mn2 Cu3 S4 O4\n1.0\n-4.272147 4.267558 0.117146\n-4.132291 -4.127720 0.005485\n-2.267338 2.253833 8.639959\nSr Li Mn Cu S O\n4 1 2 3 4 4\ndirect\n0.490039 0.000511 0.210848 Sr\n0.903070 0.498852 0.186429 Sr\n0.082928 0.501326 0.800589 Sr\n0.582845 0.997486 0.808358 Sr\n0.106299 0.998288 0.148721 Li\n0.486069 0.497569 0.999831 Mn\n0.013063 0.000478 0.928842 Mn\n0.504521 0.281310 0.508548 Cu\n0.507413 0.722695 0.511261 Cu\n0.004240 0.268465 0.496707 Cu\n0.191365 0.003441 0.641830 S\n0.662273 0.490268 0.667676 S\n0.340921 0.490894 0.349255 S\n0.810690 0.002565 0.382883 S\n0.225244 0.240712 0.011474 O\n0.747776 0.749405 0.995840 O\n0.748426 0.247723 0.992771 O\n0.228234 0.758011 0.008139 O\n",
"nsites": 18,
"nelements": 6,
"elements": [
"Sr",
"Li",
"Mn",
"Cu",
"S",
"O"
],
"chemical_system": "Cu-Li-Mn-O-S-Sr",
"density": 4.666492116889039,
"density_atomic": 0.0594972068125943,
"volume": 302.53521071496385,
"volume_molar": 10.12172013212096,
"formula_full": "Sr4 Li1 Mn2 Cu3 S4 O4",
"formula_reduced": "Sr4LiMn2Cu3(SO)4",
"formula_anonymous": "AB2C3D4E4F4",
"energy": -107.07870702,
"energy_per_atom": -5.948817056666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -98.98270702,
"band_gap": 0.4184000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001705,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.153000Z",
"spacegroup": 1
},
{
"id": "mp-1521506",
"created_at": "2022-09-04T14:41:29.772501Z",
"structure_string": "K1 Eu1 Hf1 Fe1 O6\n1.0\n-0.000000 -4.002447 -4.002447\n4.002447 -0.000000 -4.002447\n4.002447 -4.002447 0.000000\nK Eu Hf Fe O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 Eu\n0.500000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Fe\n0.757286 0.242714 0.242714 O\n0.242714 0.757286 0.757286 O\n0.757286 0.242714 0.757286 O\n0.242714 0.757286 0.242714 O\n0.757286 0.757286 0.242714 O\n0.242714 0.242714 0.757286 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"K",
"Eu",
"Hf",
"Fe",
"O"
],
"chemical_system": "Eu-Fe-Hf-K-O",
"density": 6.751621878705968,
"density_atomic": 0.0779817963391463,
"volume": 128.23505573672034,
"volume_molar": 7.722495560129754,
"formula_full": "K1 Eu1 Hf1 Fe1 O6",
"formula_reduced": "KEuHfFeO6",
"formula_anonymous": "ABCDE6",
"energy": -85.49276206,
"energy_per_atom": -8.549276206,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.11476206,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001713,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.585000Z",
"spacegroup": 216
},
{
"id": "mp-1276577",
"created_at": "2022-09-04T14:45:14.062848Z",
"structure_string": "Li4 V6 O12\n1.0\n0.842977 -4.524394 2.516285\n0.897641 0.287601 -5.012599\n8.745418 4.279033 2.445405\nLi V O\n4 6 12\ndirect\n0.174879 0.820659 0.500687 Li\n0.674429 0.334181 0.999421 Li\n0.325092 0.666272 0.000600 Li\n0.825111 0.178900 0.499582 Li\n0.254326 0.249272 0.748963 V\n0.745653 0.750506 0.251111 V\n0.084705 0.425104 0.250584 V\n0.584974 0.910427 0.750728 V\n0.415300 0.089453 0.249387 V\n0.915478 0.575304 0.749285 V\n0.384653 0.400735 0.143276 O\n0.890066 0.875701 0.647343 O\n0.110063 0.124017 0.352156 O\n0.615436 0.599602 0.856678 O\n0.041689 0.687289 0.139896 O\n0.559059 0.210427 0.639913 O\n0.701790 0.057780 0.143166 O\n0.191357 0.541115 0.639775 O\n0.808903 0.459055 0.360310 O\n0.298030 0.942133 0.856866 O\n0.440872 0.789655 0.360290 O\n0.958133 0.312412 0.859982 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"V",
"O"
],
"chemical_system": "Li-O-V",
"density": 3.7886993899165478,
"density_atomic": 0.09553639923433338,
"volume": 230.27872283565983,
"volume_molar": 6.3035040134062275,
"formula_full": "Li4 V6 O12",
"formula_reduced": "Li2V3O6",
"formula_anonymous": "A2B3C6",
"energy": -175.64769133,
"energy_per_atom": -7.983985969545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -157.20369133,
"band_gap": 0.9841999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001716,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.678000Z",
"spacegroup": 2
},
{
"id": "mp-1247738",
"created_at": "2022-09-04T14:40:38.800274Z",
"structure_string": "Lu4 Mn2 Co2 O12\n1.0\n-0.000201 5.533140 -0.000068\n5.192733 0.000000 0.024632\n-0.034481 0.000151 -7.551321\nLu Mn Co O\n4 2 2 12\ndirect\n0.575106 0.525513 0.747807 Lu\n0.075073 0.974357 0.752209 Lu\n0.424894 0.474487 0.252193 Lu\n0.924927 0.025642 0.247791 Lu\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.950737 0.373684 0.759177 O\n0.450701 0.126291 0.740824 O\n0.049263 0.626316 0.240823 O\n0.549300 0.873709 0.259176 O\n0.812004 0.799891 0.939997 O\n0.312050 0.700096 0.559947 O\n0.206613 0.181097 0.431760 O\n0.706657 0.318923 0.068262 O\n0.187996 0.200109 0.060003 O\n0.687950 0.299904 0.440053 O\n0.793387 0.818903 0.568240 O\n0.293343 0.681077 0.931738 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Lu",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Lu-Mn-O",
"density": 8.569038281046563,
"density_atomic": 0.09218257153395278,
"volume": 216.96075155197403,
"volume_molar": 6.53284092620688,
"formula_full": "Lu4 Mn2 Co2 O12",
"formula_reduced": "Lu2MnCoO6",
"formula_anonymous": "ABC2D6",
"energy": -167.09567477000002,
"energy_per_atom": -8.3547837385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.23967477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001731,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.152000Z",
"spacegroup": 14
},
{
"id": "mp-1301981",
"created_at": "2022-09-04T14:39:17.318804Z",
"structure_string": "Ba4 Y2 Ni6 O14\n1.0\n-3.907966 -3.960484 -0.000272\n-3.907147 -0.000014 11.522910\n-3.907989 3.960500 -0.000295\nBa Y Ni O\n4 2 6 14\ndirect\n0.591165 0.817678 0.091204 Ba\n0.091208 0.817673 0.591169 Ba\n0.908799 0.182315 0.408846 Ba\n0.408843 0.182310 0.908810 Ba\n0.750007 0.500009 0.249985 Y\n0.249987 0.500006 0.750005 Y\n0.500041 0.999933 0.500032 Ni\n0.000004 0.999986 0.000014 Ni\n0.670657 0.658757 0.670657 Ni\n0.171347 0.657358 0.171351 Ni\n0.329348 0.341231 0.329349 Ni\n0.828647 0.342654 0.828646 Ni\n0.763169 0.999993 0.236862 O\n0.236835 0.999992 0.763151 O\n0.437721 0.623709 0.437721 O\n0.938534 0.623710 0.938536 O\n0.061454 0.376321 0.061453 O\n0.562258 0.376319 0.562257 O\n0.938623 0.623882 0.437474 O\n0.437500 0.623883 0.938593 O\n0.562494 0.376121 0.061407 O\n0.061398 0.376122 0.562499 O\n0.581721 0.836399 0.581721 O\n0.081085 0.837887 0.081083 O\n0.418238 0.163639 0.418251 O\n0.918915 0.162111 0.918927 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Ni",
"O"
],
"chemical_system": "Ba-Ni-O-Y",
"density": 6.067084158178765,
"density_atomic": 0.07289022735739366,
"volume": 356.7007669288423,
"volume_molar": 8.26193164479016,
"formula_full": "Ba4 Y2 Ni6 O14",
"formula_reduced": "Ba2YNi3O7",
"formula_anonymous": "AB2C3D7",
"energy": -180.94249894,
"energy_per_atom": -6.959326882307693,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -156.07849894,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001736,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.657000Z",
"spacegroup": 69
},
{
"id": "mp-1227917",
"created_at": "2022-09-04T14:44:18.502815Z",
"structure_string": "Ba1 La2 Fe2 O7\n1.0\n-2.000344 2.000344 10.378874\n2.000344 -2.000344 10.378874\n2.000344 2.000344 -10.378874\nBa La Fe O\n1 2 2 7\ndirect\n0.500000 0.500000 0.000000 Ba\n0.682293 0.682293 0.000000 La\n0.317707 0.317707 0.000000 La\n0.902425 0.902425 0.000000 Fe\n0.097575 0.097575 0.000000 Fe\n0.794082 0.794082 0.000000 O\n0.205918 0.205918 0.000000 O\n0.892953 0.392953 0.500000 O\n0.392953 0.892953 0.500000 O\n0.107047 0.607047 0.500000 O\n0.607047 0.107047 0.500000 O\n0.000000 0.000000 0.000000 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Ba",
"La",
"Fe",
"O"
],
"chemical_system": "Ba-Fe-La-O",
"density": 6.385729792895034,
"density_atomic": 0.07223732232887092,
"volume": 166.11911423527374,
"volume_molar": 8.336605740427819,
"formula_full": "Ba1 La2 Fe2 O7",
"formula_reduced": "BaLa2Fe2O7",
"formula_anonymous": "AB2C2D7",
"energy": -97.59198124,
"energy_per_atom": -8.132665103333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.27098124,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001754,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:38.161000Z",
"spacegroup": 139
},
{
"id": "mp-1175929",
"created_at": "2022-09-04T14:40:08.894927Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.874860 0.000000 0.000000\n-0.331645 5.899664 0.000000\n-0.095660 -0.108681 8.139879\nLi Mn Co O\n9 2 5 16\ndirect\n0.503592 0.995289 0.996672 Li\n0.253250 0.751347 0.743507 Li\n0.748032 0.749263 0.254896 Li\n0.503912 0.504593 0.993976 Li\n0.993338 0.506621 0.504001 Li\n0.746612 0.248944 0.256691 Li\n0.251005 0.249453 0.743625 Li\n0.994625 0.994047 0.506027 Li\n0.750112 0.748672 0.744580 Li\n0.995452 0.002328 0.998674 Mn\n0.995319 0.505876 0.999371 Mn\n0.505206 0.496873 0.500225 Co\n0.251008 0.252591 0.252602 Co\n0.746879 0.250289 0.749548 Co\n0.507844 0.991293 0.502583 Co\n0.251912 0.750051 0.251219 Co\n0.222083 0.264644 0.012066 O\n0.975400 0.025402 0.762494 O\n0.485919 0.986726 0.256316 O\n0.246117 0.734445 0.005263 O\n0.728887 0.737784 0.499703 O\n0.485077 0.488692 0.262090 O\n0.989804 0.483681 0.763492 O\n0.744489 0.229702 0.514964 O\n0.779821 0.739690 0.001095 O\n0.527772 0.471505 0.734498 O\n0.010929 0.515314 0.239394 O\n0.750169 0.271611 0.989799 O\n0.269484 0.257238 0.487563 O\n0.013615 0.015114 0.240289 O\n0.513067 0.016977 0.741992 O\n0.259272 0.763948 0.490782 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.255450329810662,
"density_atomic": 0.11342459292931849,
"volume": 282.1257645591999,
"volume_molar": 5.309378331869129,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.4462023,
"energy_per_atom": -6.513943821875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.9282023,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001764,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:48.083000Z",
"spacegroup": 1
},
{
"id": "mp-776237",
"created_at": "2022-09-04T14:44:29.380968Z",
"structure_string": "Li4 Mn3 Co3 Sn2 O16\n1.0\n5.809304 -0.007930 0.006426\n-2.911603 5.043938 0.000697\n0.008135 0.006111 9.638179\nLi Mn Co Sn O\n4 3 3 2 16\ndirect\n0.333515 0.666743 0.893803 Li\n0.001466 0.000788 0.995816 Li\n0.005684 0.003138 0.493452 Li\n0.670929 0.335604 0.388399 Li\n0.660781 0.830165 0.215246 Mn\n0.830451 0.661218 0.715962 Mn\n0.830245 0.169097 0.716013 Mn\n0.170743 0.830813 0.215731 Co\n0.170396 0.339928 0.215595 Co\n0.340777 0.170346 0.715358 Co\n0.328492 0.664088 0.491422 Sn\n0.659762 0.329896 0.995276 Sn\n0.153477 0.839304 0.603775 O\n0.035796 0.518176 0.330331 O\n0.334029 0.667249 0.112989 O\n0.999968 0.999777 0.307051 O\n0.002509 0.000997 0.808560 O\n0.153264 0.314094 0.603752 O\n0.484896 0.968245 0.332187 O\n0.484755 0.516196 0.332056 O\n0.309596 0.154757 0.103557 O\n0.682574 0.841267 0.603470 O\n0.518805 0.485945 0.832619 O\n0.518902 0.032777 0.832734 O\n0.670322 0.335536 0.611311 O\n0.840459 0.684300 0.103925 O\n0.967088 0.483527 0.833360 O\n0.840315 0.156328 0.104089 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Co",
"Sn",
"O"
],
"chemical_system": "Co-Li-Mn-O-Sn",
"density": 5.077002652318476,
"density_atomic": 0.09922295747514348,
"volume": 282.19275772962453,
"volume_molar": 6.069301816072775,
"formula_full": "Li4 Mn3 Co3 Sn2 O16",
"formula_reduced": "Li4Mn3Co3(SnO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -196.7735604,
"energy_per_atom": -7.027627157142858,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -175.8635604,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0001767,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.869000Z",
"spacegroup": 8
}
]
}