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=1747",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-total_magnetization&page=1745",
"results": [
{
"id": "mp-1100683",
"created_at": "2022-09-04T14:41:56.580272Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.740674 5.155606 0.000000\n-5.740674 5.155606 0.000000\n0.000000 3.245686 4.844568\nLi Mn Co O\n9 2 5 16\ndirect\n0.870754 0.870754 0.501967 Li\n0.378306 0.378306 0.492850 Li\n0.757217 0.513381 0.482512 Li\n0.238641 0.989723 0.515400 Li\n0.626782 0.126359 0.500850 Li\n0.126359 0.626782 0.500850 Li\n0.513381 0.757217 0.482512 Li\n0.989723 0.238641 0.515400 Li\n0.871803 0.871803 0.005910 Li\n0.992907 0.243353 0.007832 Mn\n0.243353 0.992907 0.007832 Mn\n0.511404 0.759460 0.990312 Co\n0.376965 0.376965 0.994327 Co\n0.759460 0.511404 0.990312 Co\n0.626015 0.123000 0.001058 Co\n0.123000 0.626015 0.001058 Co\n0.111821 0.111821 0.244532 O\n0.618523 0.618523 0.241098 O\n0.027860 0.761329 0.218802 O\n0.517073 0.268870 0.198147 O\n0.875687 0.364095 0.241292 O\n0.364095 0.875687 0.241292 O\n0.761329 0.027860 0.218802 O\n0.268870 0.517073 0.198147 O\n0.636417 0.636417 0.745945 O\n0.127025 0.127025 0.775252 O\n0.472517 0.229823 0.797156 O\n0.997283 0.725626 0.786011 O\n0.370336 0.889645 0.759687 O\n0.889645 0.370336 0.759687 O\n0.229823 0.472517 0.797156 O\n0.725626 0.997283 0.786011 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.186591790559644,
"density_atomic": 0.11158924033936082,
"volume": 286.7659991472552,
"volume_molar": 5.396703787646284,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.17788011,
"energy_per_atom": -6.5368087534375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.65988011,
"band_gap": 0.6683999999999997,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000107,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:36.364000Z",
"spacegroup": 8
},
{
"id": "mp-1176160",
"created_at": "2022-09-04T14:43:03.304504Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.959821 0.000000 0.000000\n-0.108307 5.102724 0.000000\n-0.867575 -1.227169 19.181693\nLi Mn Co O\n9 2 5 16\ndirect\n0.010505 0.607718 0.874091 Li\n0.491851 0.752497 0.749920 Li\n0.995923 0.876640 0.625688 Li\n0.498596 0.001760 0.500754 Li\n0.002845 0.123006 0.375014 Li\n0.499404 0.249213 0.250070 Li\n0.995371 0.382901 0.126819 Li\n0.507732 0.491463 0.995965 Li\n0.488989 0.139876 0.876583 Li\n0.000858 0.011044 0.995900 Mn\n0.998409 0.494949 0.500231 Mn\n0.996337 0.249295 0.755367 Co\n0.493031 0.369091 0.627502 Co\n0.505150 0.626179 0.373983 Co\n0.003238 0.748921 0.250117 Co\n0.510162 0.867603 0.124720 Co\n0.481465 0.838235 0.945416 O\n0.001155 0.973254 0.803853 O\n0.532498 0.084175 0.687580 O\n0.986286 0.205704 0.562211 O\n0.532436 0.322165 0.436857 O\n0.998836 0.464225 0.313170 O\n0.547935 0.574910 0.191021 O\n0.018608 0.716504 0.065050 O\n0.473804 0.430367 0.807864 O\n0.010434 0.527561 0.690340 O\n0.459368 0.665852 0.565015 O\n0.992707 0.788949 0.435650 O\n0.453042 0.923626 0.309132 O\n0.996826 0.034555 0.185802 O\n0.523483 0.162880 0.055723 O\n0.992722 0.294886 0.942589 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.144134222749126,
"density_atomic": 0.11045757812444991,
"volume": 289.70397996547024,
"volume_molar": 5.45199420651338,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.19594305,
"energy_per_atom": -6.5061232203125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -185.67794305,
"band_gap": 0.0663,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000106,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:11.323000Z",
"spacegroup": 1
},
{
"id": "mp-1175978",
"created_at": "2022-09-04T14:48:17.972498Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.904668 0.000000 0.000000\n-1.524015 -6.281125 0.000000\n-1.925816 0.113968 -7.637594\nLi Mn Co O\n9 2 5 16\ndirect\n0.856619 0.855669 0.616423 Li\n0.882389 0.386287 0.133017 Li\n0.144522 0.136674 0.378695 Li\n0.124551 0.618882 0.874642 Li\n0.372029 0.384952 0.141783 Li\n0.379056 0.863910 0.610878 Li\n0.623367 0.623930 0.866466 Li\n0.611240 0.129486 0.380070 Li\n0.497564 0.501720 0.497386 Li\n0.004763 0.000211 0.001724 Mn\n0.747055 0.252871 0.744201 Mn\n0.995793 0.500289 0.498328 Co\n0.252071 0.253034 0.742573 Co\n0.254323 0.749273 0.254215 Co\n0.504553 0.997379 0.999706 Co\n0.744729 0.747917 0.256679 Co\n0.711024 0.949280 0.816776 O\n0.706496 0.453289 0.316010 O\n0.935754 0.204956 0.579618 O\n0.960862 0.707934 0.069793 O\n0.187149 0.458150 0.314320 O\n0.190672 0.962096 0.834632 O\n0.461377 0.706510 0.063682 O\n0.448617 0.183383 0.576584 O\n0.036800 0.796985 0.435600 O\n0.045474 0.294992 0.934645 O\n0.302430 0.052841 0.179843 O\n0.285502 0.541131 0.684242 O\n0.561838 0.288468 0.916034 O\n0.547205 0.812385 0.421297 O\n0.806053 0.541740 0.694591 O\n0.818122 0.043376 0.165546 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.238369213479709,
"density_atomic": 0.11296931357779029,
"volume": 283.26276390061366,
"volume_molar": 5.330775738362945,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.72307677,
"energy_per_atom": -6.5225961490625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.20507677,
"band_gap": 0.399,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:41.181000Z",
"spacegroup": 1
},
{
"id": "mp-22796",
"created_at": "2022-09-04T14:46:54.486907Z",
"structure_string": "Eu2 V2 O8\n1.0\n-3.697738 3.697738 3.244071\n3.697738 -3.697738 3.244071\n3.697738 3.697738 -3.244071\nEu V O\n2 2 8\ndirect\n0.500000 0.500000 0.000000 Eu\n0.750000 0.250000 0.500000 Eu\n0.250000 0.750000 0.500000 V\n0.000000 0.000000 0.000000 V\n0.829320 0.010990 0.181670 O\n0.897650 0.579320 0.318330 O\n0.260990 0.579320 0.681670 O\n0.829320 0.647650 0.818330 O\n0.352350 0.170680 0.181670 O\n0.420680 0.739010 0.318330 O\n0.420680 0.102350 0.681670 O\n0.989010 0.170680 0.818330 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"V",
"O"
],
"chemical_system": "Eu-O-V",
"density": 4.995858123889754,
"density_atomic": 0.06763299680547123,
"volume": 177.42818693240648,
"volume_molar": 8.904145970821203,
"formula_full": "Eu2 V2 O8",
"formula_reduced": "EuVO4",
"formula_anonymous": "ABC4",
"energy": -112.23268129,
"energy_per_atom": -9.352723440833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -103.33668129,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000097,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:43.435000Z",
"spacegroup": 141
},
{
"id": "mp-1181000",
"created_at": "2022-09-04T14:41:45.933894Z",
"structure_string": "Ni2 P8 N4 O38\n1.0\n6.753913 0.000000 0.000000\n-1.518637 9.801453 0.000000\n-2.831489 -3.097911 13.203637\nNi P N O\n2 8 4 38\ndirect\n0.000000 0.000000 0.000000 Ni\n0.500000 0.500000 0.500000 Ni\n0.817627 0.282304 0.039198 P\n0.182373 0.717696 0.960802 P\n0.682477 0.072621 0.147469 P\n0.317523 0.927379 0.852531 P\n0.969653 0.521519 0.226599 P\n0.030347 0.478481 0.773401 P\n0.958688 0.278007 0.324174 P\n0.041312 0.721993 0.675826 P\n0.352509 0.421929 0.251314 N\n0.647491 0.578071 0.748686 N\n0.521133 0.614570 0.029559 N\n0.478867 0.385430 0.970441 N\n0.925508 0.198643 0.976051 O\n0.074492 0.801357 0.023949 O\n0.362062 0.651232 0.047831 O\n0.637938 0.348768 0.952169 O\n0.664898 0.213285 0.093806 O\n0.335102 0.786715 0.906194 O\n0.845858 0.005403 0.112061 O\n0.154142 0.994597 0.887939 O\n0.467229 0.989336 0.125299 O\n0.532771 0.010664 0.874701 O\n0.755477 0.153881 0.263699 O\n0.244523 0.846119 0.736301 O\n0.141309 0.254057 0.279318 O\n0.858691 0.745943 0.720682 O\n0.968693 0.300475 0.433493 O\n0.031307 0.699525 0.566507 O\n0.875354 0.410322 0.282278 O\n0.124646 0.589678 0.717722 O\n0.848491 0.630916 0.217416 O\n0.151509 0.369084 0.782584 O\n0.205886 0.562513 0.267710 O\n0.794114 0.437487 0.732290 O\n0.950027 0.421488 0.108750 O\n0.049973 0.578512 0.891250 O\n0.487088 0.446318 0.322276 O\n0.512912 0.553682 0.677724 O\n0.425845 0.676870 0.489183 O\n0.574155 0.323130 0.510817 O\n0.618564 0.681852 0.485751 O\n0.381436 0.318148 0.514249 O\n0.243259 0.123897 0.098441 O\n0.756741 0.876103 0.901559 O\n0.299972 0.922713 0.315251 O\n0.700028 0.077287 0.684749 O\n0.485466 0.952246 0.369918 O\n0.514534 0.047754 0.630082 O\n0.610694 0.872784 0.346607 O\n0.389306 0.127216 0.653393 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Ni",
"P",
"N",
"O"
],
"chemical_system": "N-Ni-O-P",
"density": 1.9552455845666257,
"density_atomic": 0.05949272255091354,
"volume": 874.0564857407339,
"volume_molar": 10.122483056387754,
"formula_full": "Ni2 P8 N4 O38",
"formula_reduced": "NiP4N2O19",
"formula_anonymous": "AB2C4D19",
"energy": -318.20282229,
"energy_per_atom": -6.119285044038461,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -313.12082229,
"band_gap": 0.4542999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000097,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:23.806000Z",
"spacegroup": 2
},
{
"id": "mp-1375509",
"created_at": "2022-09-04T14:47:36.249828Z",
"structure_string": "Y6 V6 O18\n1.0\n3.073330 -5.323164 0.000000\n3.073330 5.323164 0.000000\n0.000000 0.000000 12.056513\nY V O\n6 6 18\ndirect\n0.666667 0.333333 0.229499 Y\n0.333333 0.666667 0.729499 Y\n0.666667 0.333333 0.729499 Y\n0.333333 0.666667 0.229499 Y\n0.000000 0.000000 0.773074 Y\n0.000000 0.000000 0.273074 Y\n0.664453 0.000000 0.497502 V\n0.664453 0.664453 0.997502 V\n0.000000 0.335547 0.997502 V\n0.000000 0.664453 0.497502 V\n0.335547 0.335547 0.497502 V\n0.335547 0.000000 0.997502 V\n0.666667 0.333333 0.024744 O\n0.333333 0.666667 0.524744 O\n0.666667 0.333333 0.524744 O\n0.333333 0.666667 0.024744 O\n0.000000 0.000000 0.981995 O\n0.000000 0.000000 0.481995 O\n0.360091 0.000000 0.838764 O\n0.360091 0.360091 0.338764 O\n0.000000 0.639909 0.338764 O\n0.000000 0.360091 0.838764 O\n0.639909 0.639909 0.838764 O\n0.639909 0.000000 0.338764 O\n0.307391 0.000000 0.167549 O\n0.307391 0.307391 0.667549 O\n0.000000 0.692609 0.667549 O\n0.000000 0.307391 0.167549 O\n0.692609 0.692609 0.167549 O\n0.692609 0.000000 0.667549 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Y",
"V",
"O"
],
"chemical_system": "O-V-Y",
"density": 4.744282080030755,
"density_atomic": 0.07604847306993491,
"volume": 394.4852380193316,
"volume_molar": 7.918818770315063,
"formula_full": "Y6 V6 O18",
"formula_reduced": "YVO3",
"formula_anonymous": "ABC3",
"energy": -278.16997543,
"energy_per_atom": -9.272332514333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.60397543,
"band_gap": 1.1014,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0000095,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:12.862000Z",
"spacegroup": 185
},
{
"id": "mp-770850",
"created_at": "2022-09-04T14:42:20.963254Z",
"structure_string": "Li4 Ti2 Co4 O10\n1.0\n4.126905 0.000000 0.000000\n-0.013310 6.027810 0.000000\n-2.052123 -1.790680 7.466129\nLi Ti Co O\n4 2 4 10\ndirect\n0.188611 0.112499 0.388942 Li\n0.000000 0.500000 0.000000 Li\n0.811389 0.887501 0.611058 Li\n0.000000 0.000000 0.000000 Li\n0.430400 0.180776 0.796623 Ti\n0.569600 0.819224 0.203377 Ti\n0.798108 0.389397 0.601453 Co\n0.597976 0.306724 0.198277 Co\n0.201892 0.610603 0.398547 Co\n0.402024 0.693276 0.801723 Co\n0.888611 0.190613 0.806089 O\n0.689818 0.088584 0.381960 O\n0.108073 0.318566 0.214483 O\n0.302861 0.364937 0.616161 O\n0.891927 0.681434 0.785517 O\n0.500000 0.500000 0.000000 O\n0.697139 0.635063 0.383839 O\n0.111389 0.809387 0.193911 O\n0.310182 0.911416 0.618040 O\n0.500000 0.000000 0.000000 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Co",
"O"
],
"chemical_system": "Co-Li-O-Ti",
"density": 4.642212244112139,
"density_atomic": 0.10768382657507139,
"volume": 185.7289124663217,
"volume_molar": 5.592428270369541,
"formula_full": "Li4 Ti2 Co4 O10",
"formula_reduced": "Li2TiCo2O5",
"formula_anonymous": "AB2C2D5",
"energy": -145.38225241,
"energy_per_atom": -7.2691126205000005,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -131.96025241,
"band_gap": 0.4471999999999996,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000094,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.738000Z",
"spacegroup": 2
},
{
"id": "mp-1175955",
"created_at": "2022-09-04T14:39:35.710255Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n-5.884025 0.000000 0.000000\n2.706996 5.873735 0.000000\n-0.032807 -0.133722 -8.088610\nLi Mn Co O\n9 2 5 16\ndirect\n0.235743 0.495543 0.010128 Li\n0.868986 0.252273 0.748933 Li\n0.620571 0.747742 0.254370 Li\n0.999898 0.007369 0.489322 Li\n0.380220 0.250371 0.744250 Li\n0.757862 0.491009 0.010996 Li\n0.127381 0.745715 0.252275 Li\n0.505563 0.007911 0.490559 Li\n0.874832 0.252415 0.252190 Li\n0.002973 0.006165 0.005020 Mn\n0.629462 0.751284 0.749196 Mn\n0.237119 0.490865 0.493903 Co\n0.509871 0.007859 0.004832 Co\n0.126304 0.748526 0.747325 Co\n0.745810 0.492876 0.496638 Co\n0.371668 0.249844 0.249796 Co\n0.885926 0.236977 0.996332 O\n0.509034 0.989077 0.766030 O\n0.258626 0.492827 0.263003 O\n0.632091 0.739671 0.514025 O\n0.981786 0.973735 0.756909 O\n0.353042 0.226680 0.005288 O\n0.714946 0.478073 0.264198 O\n0.138819 0.741310 0.514799 O\n0.651030 0.774077 0.993209 O\n0.281333 0.531337 0.744262 O\n0.021417 0.011135 0.235223 O\n0.355997 0.255681 0.486741 O\n0.742760 0.511746 0.742180 O\n0.118500 0.760016 0.983154 O\n0.490528 0.010643 0.230271 O\n0.869898 0.269245 0.504645 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.294627695817412,
"density_atomic": 0.11446882478422449,
"volume": 279.5520969165229,
"volume_molar": 5.260943991826446,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.83887436,
"energy_per_atom": -6.52621482375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.32087436,
"band_gap": 0.6673999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000091,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.436000Z",
"spacegroup": 1
},
{
"id": "mp-774358",
"created_at": "2022-09-04T14:46:38.906629Z",
"structure_string": "Li4 Mn2 V2 P8 O28\n1.0\n8.312385 0.000000 0.000000\n0.000000 7.154445 0.000000\n0.000000 3.463894 9.095329\nLi Mn V P O\n4 2 2 8 28\ndirect\n0.639642 0.673300 0.502739 Li\n0.139642 0.326700 0.497261 Li\n0.640029 0.674301 0.000138 Li\n0.140029 0.325699 0.999862 Li\n0.001841 0.729226 0.990845 Mn\n0.501841 0.270774 0.009155 Mn\n0.999971 0.727841 0.493579 V\n0.499971 0.272159 0.506421 V\n0.216665 0.913916 0.687159 P\n0.320291 0.522151 0.690090 P\n0.820291 0.477849 0.309910 P\n0.212769 0.909713 0.186341 P\n0.716665 0.086084 0.312841 P\n0.320861 0.517670 0.190012 P\n0.820861 0.482330 0.809988 P\n0.712769 0.090287 0.813659 P\n0.347395 0.753254 0.672003 O\n0.067730 0.916004 0.593789 O\n0.826451 0.603750 0.644058 O\n0.157430 0.507274 0.620415 O\n0.460944 0.483926 0.601643 O\n0.672147 0.154220 0.650412 O\n0.304375 0.114074 0.624521 O\n0.804375 0.885926 0.375479 O\n0.172147 0.845780 0.349588 O\n0.960944 0.516074 0.398357 O\n0.657430 0.492726 0.379585 O\n0.326451 0.396250 0.355942 O\n0.567730 0.083996 0.406211 O\n0.847395 0.246746 0.327997 O\n0.344669 0.749821 0.171446 O\n0.062273 0.907334 0.093533 O\n0.822255 0.605972 0.145889 O\n0.159291 0.494368 0.125981 O\n0.465486 0.478494 0.104536 O\n0.676846 0.141705 0.150127 O\n0.295059 0.111250 0.129331 O\n0.795059 0.888750 0.870669 O\n0.176846 0.858295 0.849873 O\n0.965486 0.521506 0.895464 O\n0.659291 0.505632 0.874019 O\n0.322255 0.394028 0.854111 O\n0.562273 0.092666 0.906467 O\n0.844669 0.250179 0.828554 O\n",
"nsites": 44,
"nelements": 5,
"elements": [
"Li",
"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.8712984808215634,
"density_atomic": 0.08134533723560376,
"volume": 540.9037751304791,
"volume_molar": 7.403178798752574,
"formula_full": "Li4 Mn2 V2 P8 O28",
"formula_reduced": "Li2MnV(P2O7)2",
"formula_anonymous": "ABC2D4E14",
"energy": -342.69079292,
"energy_per_atom": -7.788427111818181,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -316.71879292,
"band_gap": 0.4711999999999998,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.000009,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:41.216000Z",
"spacegroup": 4
},
{
"id": "mp-1100587",
"created_at": "2022-09-04T14:39:41.247164Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n2.912711 0.000000 0.000000\n0.000000 10.293916 0.000000\n0.000000 3.505338 9.724593\nLi Mn Co O\n9 2 5 16\ndirect\n0.500000 0.003942 0.737418 Li\n0.500000 0.995798 0.265791 Li\n0.000000 0.747319 0.740137 Li\n0.000000 0.743693 0.260532 Li\n0.500000 0.504067 0.741479 Li\n0.500000 0.497535 0.258668 Li\n0.000000 0.251183 0.730758 Li\n0.000000 0.249485 0.261037 Li\n0.500000 0.248623 0.505086 Li\n0.000000 0.003330 0.000124 Mn\n0.500000 0.745544 0.999134 Mn\n0.000000 0.016281 0.506443 Co\n0.500000 0.754425 0.495638 Co\n0.000000 0.495068 0.999991 Co\n0.000000 0.492202 0.497748 Co\n0.500000 0.252983 0.000360 Co\n0.500000 0.107473 0.886930 O\n0.500000 0.117122 0.381557 O\n0.000000 0.870641 0.897590 O\n0.000000 0.867877 0.383211 O\n0.500000 0.615016 0.877061 O\n0.500000 0.623190 0.382761 O\n0.000000 0.360302 0.893631 O\n0.000000 0.392326 0.390092 O\n0.500000 0.872972 0.614013 O\n0.500000 0.898987 0.112966 O\n0.000000 0.621018 0.603136 O\n0.000000 0.637319 0.111085 O\n0.500000 0.386762 0.619258 O\n0.500000 0.378941 0.123439 O\n0.000000 0.115084 0.622134 O\n0.000000 0.133489 0.100793 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.117549461690253,
"density_atomic": 0.10974898902869608,
"volume": 291.57443984867103,
"volume_molar": 5.487194746208907,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -207.46071379,
"energy_per_atom": -6.4831473059375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -184.94271379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000089,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:24.116000Z",
"spacegroup": 6
},
{
"id": "mp-772890",
"created_at": "2022-09-04T14:44:53.413520Z",
"structure_string": "Np4 Se8 O24\n1.0\n10.927974 0.000000 0.000000\n0.000000 7.075021 0.000000\n0.000000 5.008812 7.073269\nNp Se O\n4 8 24\ndirect\n0.596514 0.747601 0.494633 Np\n0.096514 0.252399 0.005367 Np\n0.903486 0.747601 0.994633 Np\n0.403486 0.252399 0.505367 Np\n0.422633 0.285268 0.930630 Se\n0.922633 0.714732 0.569370 Se\n0.286255 0.812499 0.425349 Se\n0.786255 0.187501 0.074651 Se\n0.213745 0.812499 0.925349 Se\n0.713745 0.187501 0.574651 Se\n0.077367 0.285268 0.430630 Se\n0.577367 0.714732 0.069370 Se\n0.398802 0.618460 0.450459 O\n0.015381 0.474394 0.712530 O\n0.592635 0.844355 0.187494 O\n0.779614 0.581144 0.618634 O\n0.279614 0.418856 0.881366 O\n0.901892 0.004992 0.085952 O\n0.515381 0.525606 0.787470 O\n0.246053 0.956818 0.192279 O\n0.746053 0.043182 0.307721 O\n0.101198 0.618460 0.950459 O\n0.401892 0.995008 0.414048 O\n0.907365 0.844355 0.687494 O\n0.092635 0.155645 0.312506 O\n0.598108 0.004992 0.585952 O\n0.898802 0.381540 0.049541 O\n0.253947 0.956818 0.692279 O\n0.753947 0.043182 0.807721 O\n0.484619 0.474394 0.212530 O\n0.098108 0.995008 0.914048 O\n0.720386 0.581144 0.118634 O\n0.220386 0.418856 0.381366 O\n0.407365 0.155645 0.812506 O\n0.984619 0.525606 0.287470 O\n0.601198 0.381540 0.549541 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Np",
"Se",
"O"
],
"chemical_system": "Np-O-Se",
"density": 5.962509285904323,
"density_atomic": 0.06582864861193978,
"volume": 546.8743587950618,
"volume_molar": 9.148206574162792,
"formula_full": "Np4 Se8 O24",
"formula_reduced": "Np(SeO3)2",
"formula_anonymous": "AB2C6",
"energy": -270.51659484000004,
"energy_per_atom": -7.5143498566666675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -254.02859484000004,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000087,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.681000Z",
"spacegroup": 14
},
{
"id": "mp-776223",
"created_at": "2022-09-04T14:45:29.653034Z",
"structure_string": "Li2 Co4 P6 O24\n1.0\n8.391702 0.000000 0.000000\n-4.188557 7.290691 0.000000\n-4.180679 -2.446734 7.556150\nLi Co P O\n2 4 6 24\ndirect\n0.185086 0.263271 0.861696 Li\n0.814914 0.736729 0.138304 Li\n0.714178 0.853405 0.571353 Co\n0.297956 0.663418 0.943373 Co\n0.702044 0.336582 0.056627 Co\n0.285822 0.146595 0.428647 Co\n0.500052 0.537668 0.750710 P\n0.789343 0.251877 0.749906 P\n0.213983 0.964458 0.749366 P\n0.786017 0.035542 0.250634 P\n0.210657 0.748123 0.250094 P\n0.499948 0.462332 0.249290 P\n0.319219 0.463977 0.082855 O\n0.628252 0.833954 0.108209 O\n0.264375 0.776598 0.103479 O\n0.327053 0.505880 0.792064 O\n0.611196 0.737156 0.726934 O\n0.387628 0.377113 0.583377 O\n0.862324 0.118401 0.735887 O\n0.970394 0.464302 0.798200 O\n0.293936 0.832111 0.802464 O\n0.810428 0.011056 0.429047 O\n0.011591 0.120831 0.277133 O\n0.422019 0.807169 0.423513 O\n0.577981 0.192831 0.576487 O\n0.988409 0.879169 0.722867 O\n0.189572 0.988944 0.570953 O\n0.706064 0.167889 0.197536 O\n0.029606 0.535698 0.201800 O\n0.137676 0.881599 0.264113 O\n0.612372 0.622887 0.416623 O\n0.388804 0.262844 0.273066 O\n0.672947 0.494120 0.207936 O\n0.735625 0.223402 0.896521 O\n0.371748 0.166046 0.891791 O\n0.680781 0.536023 0.917145 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Co",
"P",
"O"
],
"chemical_system": "Co-Li-O-P",
"density": 2.943394716083307,
"density_atomic": 0.07787233280765361,
"volume": 462.2951271913325,
"volume_molar": 7.733350912800854,
"formula_full": "Li2 Co4 P6 O24",
"formula_reduced": "LiCo2(PO4)3",
"formula_anonymous": "AB2C3D12",
"energy": -256.49688922,
"energy_per_atom": -7.124913589444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -233.45688922,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0000087,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:58.145000Z",
"spacegroup": 2
}
]
}