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=-is_magnetic&page=22",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=20",
"results": [
{
"id": "mp-1226070",
"created_at": "2022-09-04T14:47:10.420491Z",
"structure_string": "Co2 Cu2 S8\n1.0\n5.593216 0.000000 0.000000\n0.000000 5.592509 0.000000\n0.000000 0.100039 5.741614\nCo Cu S\n2 2 8\ndirect\n0.000000 0.500000 0.500000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Cu\n0.500000 0.500000 0.000000 Cu\n0.597088 0.100015 0.116615 S\n0.097088 0.399985 0.883385 S\n0.382474 0.618039 0.407926 S\n0.882474 0.881961 0.592074 S\n0.402912 0.899985 0.883385 S\n0.902912 0.600015 0.116615 S\n0.617526 0.381961 0.592074 S\n0.117526 0.118039 0.407926 S\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"Cu",
"S"
],
"chemical_system": "Co-Cu-S",
"density": 4.636593746823564,
"density_atomic": 0.06681576895057822,
"volume": 179.59832219960035,
"volume_molar": 9.013053137881885,
"formula_full": "Co2 Cu2 S8",
"formula_reduced": "CoCuS4",
"formula_anonymous": "ABC4",
"energy": -62.27124577000001,
"energy_per_atom": -5.189270480833334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -58.24724577,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.6594265,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:58.641000Z",
"spacegroup": 14
},
{
"id": "mp-625147",
"created_at": "2022-09-04T14:47:11.963780Z",
"structure_string": "Gd2 H2 O4\n1.0\n3.745452 0.000000 0.000000\n0.000000 4.391007 0.000000\n0.000000 2.024941 5.788385\nGd H O\n2 2 4\ndirect\n0.250000 0.664477 0.188141 Gd\n0.750000 0.335523 0.811859 Gd\n0.250000 0.022194 0.587301 H\n0.750000 0.977806 0.412699 H\n0.250000 0.234664 0.049190 O\n0.750000 0.765336 0.950810 O\n0.250000 0.251251 0.565239 O\n0.750000 0.748749 0.434761 O\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Gd",
"H",
"O"
],
"chemical_system": "Gd-H-O",
"density": 6.637329369070549,
"density_atomic": 0.08403577554169789,
"volume": 95.19755066734004,
"volume_molar": 7.166163126574421,
"formula_full": "Gd2 H2 O4",
"formula_reduced": "GdHO2",
"formula_anonymous": "ABC2",
"energy": -78.22892461,
"energy_per_atom": -9.77861557625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.48092461,
"band_gap": 3.071400000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9973643,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.643000Z",
"spacegroup": 11
},
{
"id": "mp-1225778",
"created_at": "2022-09-04T14:47:11.194437Z",
"structure_string": "Dy5 Co19 P12\n1.0\n5.983197 -10.363200 0.000000\n5.983197 10.363200 0.000000\n0.000000 0.000000 3.669532\nDy Co P\n5 19 12\ndirect\n0.666667 0.333333 0.000000 Dy\n0.333333 0.666667 0.000000 Dy\n0.186803 0.186803 0.500000 Dy\n0.813197 0.000000 0.500000 Dy\n0.000000 0.813197 0.500000 Dy\n0.551659 0.551659 0.000000 Co\n0.448341 0.000000 0.000000 Co\n0.000000 0.448341 0.000000 Co\n0.822541 0.200388 0.000000 Co\n0.799612 0.622153 0.000000 Co\n0.377847 0.177459 0.000000 Co\n0.200388 0.822541 0.000000 Co\n0.622153 0.799612 0.000000 Co\n0.177459 0.377847 0.000000 Co\n0.642397 0.125508 0.500000 Co\n0.874492 0.516889 0.500000 Co\n0.483111 0.357603 0.500000 Co\n0.125508 0.642397 0.500000 Co\n0.516889 0.874492 0.500000 Co\n0.357603 0.483111 0.500000 Co\n0.714452 0.714452 0.500000 Co\n0.285548 0.000000 0.500000 Co\n0.000000 0.285548 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.367439 0.367439 0.000000 P\n0.632561 0.000000 0.000000 P\n0.000000 0.632561 0.000000 P\n0.834584 0.314855 0.500000 P\n0.685145 0.519729 0.500000 P\n0.480271 0.165416 0.500000 P\n0.314855 0.834584 0.500000 P\n0.519729 0.685145 0.500000 P\n0.165416 0.480271 0.500000 P\n0.819101 0.819101 0.000000 P\n0.180899 0.000000 0.000000 P\n0.000000 0.180899 0.000000 P\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Dy",
"Co",
"P"
],
"chemical_system": "Co-Dy-P",
"density": 8.407131736158936,
"density_atomic": 0.07911059367595456,
"volume": 455.05915614108324,
"volume_molar": 7.612306367801173,
"formula_full": "Dy5 Co19 P12",
"formula_reduced": "Dy5Co19P12",
"formula_anonymous": "A5B12C19",
"energy": -255.12744641,
"energy_per_atom": -7.086873511388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -255.12744641,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.6462517,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.113000Z",
"spacegroup": 189
},
{
"id": "mp-1212798",
"created_at": "2022-09-04T14:47:11.125944Z",
"structure_string": "Eu4 Mo4 O20\n1.0\n12.727722 0.000000 0.000000\n0.000000 5.380167 0.000000\n0.000000 2.855764 6.348365\nEu Mo O\n4 4 20\ndirect\n0.056403 0.636716 0.708577 Eu\n0.943597 0.363284 0.291423 Eu\n0.556403 0.363284 0.791423 Eu\n0.443597 0.636716 0.208577 Eu\n0.359329 0.912769 0.641094 Mo\n0.640671 0.087231 0.358906 Mo\n0.859329 0.087231 0.858906 Mo\n0.140671 0.912769 0.141094 Mo\n0.410436 0.503263 0.937796 O\n0.589564 0.496737 0.062204 O\n0.910436 0.496737 0.562204 O\n0.089564 0.503263 0.437796 O\n0.926845 0.997981 0.659259 O\n0.073155 0.002019 0.340741 O\n0.426845 0.002019 0.840741 O\n0.573155 0.997981 0.159259 O\n0.437187 0.713781 0.530044 O\n0.562813 0.286219 0.469956 O\n0.937187 0.286219 0.969956 O\n0.062813 0.713781 0.030044 O\n0.228591 0.796249 0.710536 O\n0.771409 0.203751 0.289464 O\n0.728591 0.203751 0.789464 O\n0.271409 0.796249 0.210536 O\n0.656143 0.768653 0.575465 O\n0.343857 0.231347 0.424535 O\n0.156143 0.231347 0.924535 O\n0.843857 0.768653 0.075465 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Eu",
"Mo",
"O"
],
"chemical_system": "Eu-Mo-O",
"density": 5.010066658189175,
"density_atomic": 0.06440946703461475,
"volume": 434.71870346252547,
"volume_molar": 9.349775797342957,
"formula_full": "Eu4 Mo4 O20",
"formula_reduced": "EuMoO5",
"formula_anonymous": "ABC5",
"energy": -244.81739116,
"energy_per_atom": -8.743478255714285,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -218.26939116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 27.1750326,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.157000Z",
"spacegroup": 14
},
{
"id": "mp-1189990",
"created_at": "2022-09-04T14:47:11.128756Z",
"structure_string": "U6 Sb8 Pd6\n1.0\n-4.867201 4.867201 4.867201\n4.867201 -4.867201 4.867201\n4.867201 4.867201 -4.867201\nU Sb Pd\n6 8 6\ndirect\n0.875000 0.250000 0.125000 U\n0.625000 0.750000 0.375000 U\n0.250000 0.125000 0.875000 U\n0.750000 0.375000 0.625000 U\n0.125000 0.875000 0.250000 U\n0.375000 0.625000 0.750000 U\n0.670965 0.500000 0.000000 Sb\n0.500000 0.000000 0.670965 Sb\n0.000000 0.670965 0.500000 Sb\n0.829035 0.829035 0.829035 Sb\n0.500000 0.000000 0.170965 Sb\n0.170965 0.500000 0.000000 Sb\n0.000000 0.170965 0.500000 Sb\n0.329035 0.329035 0.329035 Sb\n0.375000 0.250000 0.625000 Pd\n0.125000 0.750000 0.875000 Pd\n0.250000 0.625000 0.375000 Pd\n0.750000 0.875000 0.125000 Pd\n0.625000 0.375000 0.250000 Pd\n0.875000 0.125000 0.750000 Pd\n",
"nsites": 20,
"nelements": 3,
"elements": [
"U",
"Sb",
"Pd"
],
"chemical_system": "Pd-Sb-U",
"density": 10.948013579041548,
"density_atomic": 0.04336428195355516,
"volume": 461.20906651748044,
"volume_molar": 13.887329591782352,
"formula_full": "U6 Sb8 Pd6",
"formula_reduced": "U3Sb4Pd3",
"formula_anonymous": "A3B3C4",
"energy": -141.72962046,
"energy_per_atom": -7.086481023,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -141.72962046,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9969109,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:58.582000Z",
"spacegroup": 220
},
{
"id": "mp-1222679",
"created_at": "2022-09-04T14:47:10.870267Z",
"structure_string": "Li4 Mn2 Br8\n1.0\n-3.976927 3.990637 5.285912\n3.976927 -3.990637 5.285912\n3.976927 3.990637 -5.285912\nLi Mn Br\n4 2 8\ndirect\n0.500000 0.000000 0.000000 Li\n0.500000 0.500000 0.500000 Li\n0.000000 0.500000 0.500000 Li\n0.500000 0.500000 0.000000 Li\n0.000000 0.500000 0.000000 Mn\n0.000000 0.000000 0.500000 Mn\n0.755160 0.744449 0.489290 Br\n0.755160 0.265870 0.010710 Br\n0.758135 0.752380 0.005755 Br\n0.246624 0.752380 0.494245 Br\n0.244840 0.255551 0.510710 Br\n0.244840 0.734130 0.989290 Br\n0.241865 0.247620 0.994245 Br\n0.753376 0.247620 0.505755 Br\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Li",
"Mn",
"Br"
],
"chemical_system": "Br-Li-Mn",
"density": 3.84440251375057,
"density_atomic": 0.041721342206367876,
"volume": 335.55967424900336,
"volume_molar": 14.434197083623184,
"formula_full": "Li4 Mn2 Br8",
"formula_reduced": "Li2MnBr4",
"formula_anonymous": "AB2C4",
"energy": -59.85699312999999,
"energy_per_atom": -4.275499509285714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.58499313,
"band_gap": 1.6389999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9988108,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.201000Z",
"spacegroup": 74
},
{
"id": "mp-1666339",
"created_at": "2022-09-04T14:47:10.900007Z",
"structure_string": "Li7 Mn4 Co1 O12\n1.0\n4.911073 -0.249847 -1.433501\n-0.696390 4.991756 -0.037134\n0.075761 -0.053533 8.859340\nLi Mn Co O\n7 4 1 12\ndirect\n0.008181 0.498293 0.833455 Li\n0.496070 0.255268 0.911000 Li\n0.508621 0.727877 0.751729 Li\n0.495421 0.741165 0.079909 Li\n0.515243 0.244601 0.600397 Li\n0.506121 0.751173 0.423234 Li\n0.488055 0.264327 0.246361 Li\n0.991253 0.504799 0.159821 Mn\n0.001347 0.502125 0.506586 Mn\n0.998713 0.001213 0.995419 Mn\n0.009210 0.000823 0.673325 Mn\n0.993727 0.001576 0.332017 Co\n0.221805 0.891957 0.871326 O\n0.782572 0.101063 0.799389 O\n0.219237 0.360065 0.047117 O\n0.773985 0.642229 0.621830 O\n0.247648 0.345666 0.707934 O\n0.774392 0.640434 0.970948 O\n0.226136 0.866488 0.548842 O\n0.772668 0.142584 0.114291 O\n0.212872 0.397804 0.359886 O\n0.760235 0.618726 0.277145 O\n0.220149 0.866838 0.187339 O\n0.776339 0.132903 0.480700 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 3.9896579738617803,
"density_atomic": 0.11104745583366346,
"volume": 216.12381679368943,
"volume_molar": 5.42303352633354,
"formula_full": "Li7 Mn4 Co1 O12",
"formula_reduced": "Li7Mn4CoO12",
"formula_anonymous": "AB4C7D12",
"energy": -166.47692708,
"energy_per_atom": -6.9365386283333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -149.92292708,
"band_gap": 1.0113,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9996939,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:59.417000Z",
"spacegroup": 1
},
{
"id": "mp-780941",
"created_at": "2022-09-04T14:47:11.138838Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n4.879077 -7.900987 0.013915\n4.891150 7.908147 0.009096\n3.032297 0.000102 7.147714\nLi V P H O\n2 4 8 4 32\ndirect\n0.461984 0.092125 0.357285 Li\n0.839249 0.709690 0.852753 Li\n0.243698 0.254492 0.499735 V\n0.498753 0.999266 0.990081 V\n0.003147 0.495025 0.003335 V\n0.749400 0.751236 0.487921 V\n0.251570 0.607546 0.268859 P\n0.756159 0.106033 0.265242 P\n0.646104 0.489783 0.231670 P\n0.145473 0.002177 0.229050 P\n0.354547 0.502183 0.766854 P\n0.854230 0.007933 0.763332 P\n0.750596 0.397587 0.732828 P\n0.237672 0.897261 0.732926 P\n0.756679 0.264793 0.510424 H\n0.246084 0.740696 0.492547 H\n0.482646 0.492112 0.989021 H\n0.000225 0.000350 0.999730 H\n0.113460 0.062491 0.052052 O\n0.176538 0.127584 0.340076 O\n0.003359 0.183624 0.629952 O\n0.218610 0.053703 0.681263 O\n0.624904 0.069077 0.158174 O\n0.124766 0.571402 0.159338 O\n0.281268 0.458419 0.317405 O\n0.486346 0.315591 0.362079 O\n0.679900 0.131870 0.439566 O\n0.180556 0.638901 0.443773 O\n0.318115 0.376917 0.656159 O\n0.206312 0.533057 0.818308 O\n0.689115 0.021648 0.824291 O\n0.623717 0.570119 0.056587 O\n0.932653 0.254958 0.131077 O\n0.424500 0.771615 0.131955 O\n0.574559 0.236284 0.863852 O\n0.063171 0.737971 0.863266 O\n0.382571 0.425667 0.942988 O\n0.801911 0.468901 0.184212 O\n0.310331 0.989012 0.183108 O\n0.678541 0.613592 0.352418 O\n0.819437 0.371017 0.553152 O\n0.319268 0.874422 0.558529 O\n0.520155 0.674576 0.633739 O\n0.737420 0.561171 0.684040 O\n0.874944 0.427727 0.844342 O\n0.361471 0.929637 0.853565 O\n0.770976 0.940649 0.324960 O\n0.985385 0.826030 0.366749 O\n0.818093 0.875049 0.659894 O\n0.880720 0.932073 0.939394 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.955303517554732,
"density_atomic": 0.0906681027140099,
"volume": 551.4618537647427,
"volume_molar": 6.641961814283634,
"formula_full": "Li2 V4 P8 H4 O32",
"formula_reduced": "LiV2P4(HO8)2",
"formula_anonymous": "AB2C2D4E16",
"energy": -375.51213284,
"energy_per_atom": -7.5102426568,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.72813284,
"band_gap": 1.1086,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:54.112000Z",
"spacegroup": 1
},
{
"id": "mp-769534",
"created_at": "2022-09-04T14:47:10.901583Z",
"structure_string": "Na6 Mn4 P4 C4 O28\n1.0\n8.972741 0.000000 0.129636\n0.000000 6.586015 0.000000\n0.123248 0.000000 10.388711\nNa Mn P C O\n6 4 4 4 28\ndirect\n0.243655 0.474298 0.623152 Na\n0.243655 0.025702 0.123152 Na\n0.760814 0.509163 0.876599 Na\n0.760017 0.990440 0.879159 Na\n0.760017 0.509560 0.379159 Na\n0.760814 0.990837 0.376599 Na\n0.344005 0.747401 0.893845 Mn\n0.344005 0.752599 0.393844 Mn\n0.649798 0.247295 0.608935 Mn\n0.649798 0.252705 0.108935 Mn\n0.424003 0.249682 0.856269 P\n0.424003 0.250318 0.356269 P\n0.571907 0.747561 0.642717 P\n0.571907 0.752439 0.142717 P\n0.075796 0.751782 0.865382 C\n0.075796 0.748218 0.365382 C\n0.922744 0.247104 0.634272 C\n0.922744 0.252896 0.134273 C\n0.058422 0.248844 0.645275 O\n0.058422 0.251156 0.145275 O\n0.139819 0.761108 0.977214 O\n0.139819 0.738892 0.477214 O\n0.174305 0.742457 0.769843 O\n0.174305 0.757543 0.269843 O\n0.330825 0.062126 0.895331 O\n0.327613 0.437780 0.885953 O\n0.327613 0.062220 0.385953 O\n0.330825 0.437874 0.395331 O\n0.464880 0.249568 0.708656 O\n0.424550 0.740944 0.570484 O\n0.464880 0.250432 0.208656 O\n0.424550 0.759056 0.070484 O\n0.575093 0.252643 0.927812 O\n0.537234 0.748675 0.791920 O\n0.575093 0.247357 0.427812 O\n0.537234 0.751325 0.291920 O\n0.671988 0.561693 0.609215 O\n0.668692 0.934522 0.606535 O\n0.668692 0.565478 0.106535 O\n0.671988 0.938307 0.109215 O\n0.824036 0.245853 0.732170 O\n0.824036 0.254147 0.232170 O\n0.852696 0.247240 0.523272 O\n0.852696 0.252760 0.023272 O\n0.937967 0.750718 0.851698 O\n0.937967 0.749282 0.351698 O\n",
"nsites": 46,
"nelements": 5,
"elements": [
"Na",
"Mn",
"P",
"C",
"O"
],
"chemical_system": "C-Mn-Na-O-P",
"density": 2.6447247851611637,
"density_atomic": 0.07494156619150535,
"volume": 613.8115646322602,
"volume_molar": 8.03578183115502,
"formula_full": "Na6 Mn4 P4 C4 O28",
"formula_reduced": "Na3Mn2P2(CO7)2",
"formula_anonymous": "A2B2C2D3E14",
"energy": -344.7592742,
"energy_per_atom": -7.4947668304347825,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -318.8512742,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0001369,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:53.917000Z",
"spacegroup": 7
},
{
"id": "mp-1079818",
"created_at": "2022-09-04T14:47:26.001713Z",
"structure_string": "Cr4 Te4\n1.0\n4.123281 0.000000 0.000000\n0.000000 6.273270 0.000000\n0.000000 0.000000 7.178488\nCr Te\n4 4\ndirect\n0.750000 0.496952 0.254729 Cr\n0.750000 0.996952 0.245271 Cr\n0.250000 0.503048 0.745271 Cr\n0.250000 0.003048 0.754729 Cr\n0.750000 0.253876 0.916772 Te\n0.750000 0.753876 0.583228 Te\n0.250000 0.746124 0.083228 Te\n0.250000 0.246124 0.416772 Te\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Cr",
"Te"
],
"chemical_system": "Cr-Te",
"density": 6.424452152279319,
"density_atomic": 0.043084404594844875,
"volume": 185.68203681192833,
"volume_molar": 13.977542028561677,
"formula_full": "Cr4 Te4",
"formula_reduced": "CrTe",
"formula_anonymous": "AB",
"energy": -53.163223730000006,
"energy_per_atom": -6.645402966250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -51.47522373,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.7066071,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:12.199000Z",
"spacegroup": 62
},
{
"id": "mp-766014",
"created_at": "2022-09-04T14:47:10.564684Z",
"structure_string": "Li6 Cr1 Fe3 P6 O24\n1.0\n8.572123 0.000000 0.000000\n4.126245 7.569339 0.000000\n4.129110 2.455010 7.160344\nLi Cr Fe P O\n6 1 3 6 24\ndirect\n0.025172 0.006854 0.997413 Li\n0.750250 0.153250 0.347042 Li\n0.475734 0.503117 0.493786 Li\n0.249884 0.843088 0.652525 Li\n0.654859 0.251574 0.841123 Li\n0.840727 0.654933 0.249483 Li\n0.856107 0.854493 0.854465 Cr\n0.146276 0.144568 0.137120 Fe\n0.353004 0.362975 0.354546 Fe\n0.646997 0.647850 0.648740 Fe\n0.048485 0.750997 0.452684 P\n0.453522 0.049378 0.748075 P\n0.749613 0.455648 0.046340 P\n0.249346 0.541583 0.957626 P\n0.543997 0.961754 0.250141 P\n0.955402 0.248373 0.537584 P\n0.126864 0.291290 0.496086 O\n0.301035 0.509899 0.118813 O\n0.044801 0.922935 0.271107 O\n0.529885 0.120386 0.296385 O\n0.238884 0.593097 0.429878 O\n0.019100 0.803246 0.615307 O\n0.263916 0.067696 0.907863 O\n0.452297 0.231745 0.577161 O\n0.592657 0.431153 0.240064 O\n0.196779 0.380610 0.990503 O\n0.087600 0.734883 0.935007 O\n0.372419 0.003632 0.207303 O\n0.615519 0.016091 0.804767 O\n0.907680 0.262496 0.067275 O\n0.804973 0.615531 0.016094 O\n0.410284 0.566767 0.763971 O\n0.565998 0.768374 0.410704 O\n0.733655 0.934068 0.085643 O\n0.969898 0.201476 0.379395 O\n0.765251 0.411514 0.568427 O\n0.486401 0.886363 0.693224 O\n0.936571 0.086544 0.730360 O\n0.691173 0.488442 0.887104 O\n0.886980 0.690327 0.489864 O\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Fe",
"P",
"O"
],
"chemical_system": "Cr-Fe-Li-O-P",
"density": 2.9701107189542415,
"density_atomic": 0.08609536151538835,
"volume": 464.60110389164873,
"volume_molar": 6.994733112217231,
"formula_full": "Li6 Cr1 Fe3 P6 O24",
"formula_reduced": "Li6CrFe3(PO4)6",
"formula_anonymous": "AB3C6D6E24",
"energy": -297.8777504,
"energy_per_atom": -7.446943760000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -272.6227504,
"band_gap": 2.3823,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.9989635,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:55.118000Z",
"spacegroup": 1
},
{
"id": "mp-1176031",
"created_at": "2022-09-04T14:47:12.028412Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.143876 0.000000 0.000000\n-1.722626 7.479395 0.000000\n-1.634732 -1.455494 7.452857\nLi Mn Co O\n9 2 5 16\ndirect\n0.500753 0.128065 0.870781 Li\n0.498084 0.001247 0.505374 Li\n0.498577 0.378176 0.622541 Li\n0.510708 0.258064 0.259023 Li\n0.494895 0.617865 0.383267 Li\n0.504537 0.496141 0.998560 Li\n0.499612 0.874691 0.123000 Li\n0.492745 0.745573 0.741792 Li\n0.000243 0.499300 0.497449 Li\n0.998444 0.001680 0.997684 Mn\n0.999772 0.747755 0.252548 Mn\n0.002412 0.869051 0.624733 Co\n0.002518 0.616035 0.863842 Co\n0.996295 0.376087 0.129998 Co\n0.993632 0.253854 0.738856 Co\n0.004877 0.127355 0.377887 Co\n0.770441 0.122832 0.117283 O\n0.773899 0.001719 0.765632 O\n0.765728 0.377980 0.877921 O\n0.771323 0.237231 0.506428 O\n0.764794 0.640676 0.632730 O\n0.766680 0.514811 0.244767 O\n0.785172 0.883270 0.372128 O\n0.784013 0.760953 0.010802 O\n0.234586 0.117134 0.625870 O\n0.217390 0.992730 0.235469 O\n0.226828 0.355494 0.366777 O\n0.221402 0.238784 0.995459 O\n0.222885 0.626753 0.132961 O\n0.240453 0.503928 0.766958 O\n0.225230 0.879099 0.879216 O\n0.231073 0.755666 0.482264 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.187053652156757,
"density_atomic": 0.1116015507788166,
"volume": 286.73436683170183,
"volume_molar": 5.3961084930937,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.96303265,
"energy_per_atom": -6.5300947703125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.44503265,
"band_gap": 1.3854000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9999487,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:56.562000Z",
"spacegroup": 1
}
]
}