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=53",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_magnetic&page=51",
"results": [
{
"id": "mp-771387",
"created_at": "2022-09-04T14:44:55.164137Z",
"structure_string": "Li12 Mn4 C8 S2 O32\n1.0\n0.000000 6.732026 6.732026\n6.732026 0.000000 6.732026\n6.732026 6.732026 0.000000\nLi Mn C S O\n12 4 8 2 32\ndirect\n0.716811 0.716811 0.283189 Li\n0.966811 0.966811 0.533189 Li\n0.283189 0.716811 0.716811 Li\n0.716811 0.283189 0.283189 Li\n0.966811 0.533189 0.966811 Li\n0.533189 0.966811 0.533189 Li\n0.283189 0.716811 0.283189 Li\n0.716811 0.283189 0.716811 Li\n0.533189 0.966811 0.966811 Li\n0.533189 0.533189 0.966811 Li\n0.966811 0.533189 0.533189 Li\n0.283189 0.283189 0.716811 Li\n0.625000 0.125000 0.125000 Mn\n0.125000 0.125000 0.125000 Mn\n0.125000 0.625000 0.125000 Mn\n0.125000 0.125000 0.625000 Mn\n0.351306 0.946082 0.351306 C\n0.898694 0.898694 0.898694 C\n0.303918 0.898694 0.898694 C\n0.351306 0.351306 0.946082 C\n0.898694 0.898694 0.303918 C\n0.946082 0.351306 0.351306 C\n0.351306 0.351306 0.351306 C\n0.898694 0.303918 0.898694 C\n0.750000 0.750000 0.750000 S\n0.500000 0.500000 0.500000 S\n0.685827 0.685827 0.685827 O\n0.942518 0.685827 0.685827 O\n0.685827 0.685827 0.942518 O\n0.685827 0.942518 0.685827 O\n0.905197 0.031913 0.304030 O\n0.758860 0.304030 0.031913 O\n0.905197 0.758860 0.031913 O\n0.218087 0.945970 0.344803 O\n0.031913 0.905197 0.758860 O\n0.304030 0.758860 0.905197 O\n0.758860 0.031913 0.905197 O\n0.344803 0.945970 0.491140 O\n0.945970 0.344803 0.218087 O\n0.031913 0.758860 0.304030 O\n0.945970 0.218087 0.491140 O\n0.758860 0.905197 0.304030 O\n0.304030 0.031913 0.758860 O\n0.491140 0.344803 0.945970 O\n0.218087 0.491140 0.945970 O\n0.304030 0.905197 0.031913 O\n0.905197 0.304030 0.758860 O\n0.491140 0.218087 0.344803 O\n0.945970 0.491140 0.344803 O\n0.218087 0.344803 0.491140 O\n0.344803 0.491140 0.218087 O\n0.031913 0.304030 0.905197 O\n0.491140 0.945970 0.218087 O\n0.344803 0.218087 0.945970 O\n0.564173 0.307482 0.564173 O\n0.564173 0.564173 0.307482 O\n0.307482 0.564173 0.564173 O\n0.564173 0.564173 0.564173 O\n",
"nsites": 58,
"nelements": 5,
"elements": [
"Li",
"Mn",
"C",
"S",
"O"
],
"chemical_system": "C-Li-Mn-O-S",
"density": 2.6539547389641918,
"density_atomic": 0.09505186533825413,
"volume": 610.1931802558491,
"volume_molar": 6.335636590159958,
"formula_full": "Li12 Mn4 C8 S2 O32",
"formula_reduced": "Li6Mn2C4SO16",
"formula_anonymous": "AB2C4D6E16",
"energy": -423.61485075,
"energy_per_atom": -7.303704323275863,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -394.95885075,
"band_gap": 3.7759,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9984909,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.139000Z",
"spacegroup": 203
},
{
"id": "mp-849436",
"created_at": "2022-09-04T14:44:56.034885Z",
"structure_string": "Na4 Fe8 O16\n1.0\n4.876638 -0.000154 0.000691\n-0.000163 5.633601 -0.000410\n0.001318 -0.000569 11.443624\nNa Fe O\n4 8 16\ndirect\n0.030923 0.750026 0.250113 Na\n0.359062 0.750161 0.749971 Na\n0.640877 0.249851 0.249919 Na\n0.969662 0.249974 0.749927 Na\n0.003611 0.249909 0.003551 Fe\n0.996402 0.750141 0.996180 Fe\n0.003789 0.250003 0.496334 Fe\n0.996120 0.749998 0.503746 Fe\n0.499773 0.499457 0.999885 Fe\n0.499811 0.000469 0.999877 Fe\n0.499845 0.999911 0.500078 Fe\n0.499843 0.500079 0.500083 Fe\n0.165910 0.000870 0.590471 O\n0.166108 0.000605 0.909440 O\n0.165917 0.499203 0.590469 O\n0.166159 0.499532 0.909435 O\n0.337938 0.249948 0.090604 O\n0.337757 0.249961 0.409471 O\n0.328248 0.749983 0.086491 O\n0.328510 0.749961 0.413724 O\n0.671533 0.250034 0.586535 O\n0.671641 0.249960 0.913521 O\n0.662275 0.750038 0.589832 O\n0.662480 0.749991 0.910048 O\n0.834086 0.998518 0.409501 O\n0.834078 0.501399 0.409500 O\n0.833851 0.998345 0.090646 O\n0.833790 0.501671 0.090650 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Na",
"Fe",
"O"
],
"chemical_system": "Fe-Na-O",
"density": 4.197467241947512,
"density_atomic": 0.08906105947942941,
"volume": 314.39104995676826,
"volume_molar": 6.7618112732994655,
"formula_full": "Na4 Fe8 O16",
"formula_reduced": "Na(FeO2)2",
"formula_anonymous": "AB2C4",
"energy": -193.58091586,
"energy_per_atom": -6.913604137857143,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -164.54091586,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 36.0002132,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:43.745000Z",
"spacegroup": 59
},
{
"id": "mp-1036120",
"created_at": "2022-09-04T14:44:55.255671Z",
"structure_string": "Hf1 Mg14 Mn1 O16\n1.0\n8.676166 0.000000 0.000000\n0.000000 8.678363 0.000000\n0.000000 0.000000 4.334297\nHf Mg Mn O\n1 14 1 16\ndirect\n0.000000 0.500000 0.000000 Hf\n0.500000 0.000000 0.000000 Mg\n0.500000 0.500000 0.000000 Mg\n0.000000 0.242297 0.500000 Mg\n0.000000 0.757703 0.500000 Mg\n0.500000 0.248568 0.500000 Mg\n0.500000 0.751432 0.500000 Mg\n0.252332 0.000000 0.500000 Mg\n0.257254 0.500000 0.500000 Mg\n0.747668 0.000000 0.500000 Mg\n0.742746 0.500000 0.500000 Mg\n0.256190 0.244810 0.000000 Mg\n0.256190 0.755190 0.000000 Mg\n0.743810 0.244810 0.000000 Mg\n0.743810 0.755190 0.000000 Mg\n0.000000 0.000000 0.000000 Mn\n0.258628 0.000000 0.000000 O\n0.253881 0.500000 0.000000 O\n0.741372 0.000000 0.000000 O\n0.746119 0.500000 0.000000 O\n0.248187 0.250492 0.500000 O\n0.248187 0.749508 0.500000 O\n0.751813 0.250492 0.500000 O\n0.751813 0.749508 0.500000 O\n0.000000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.000000 0.253671 0.000000 O\n0.000000 0.746329 0.000000 O\n0.500000 0.251336 0.000000 O\n0.500000 0.748664 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Hf",
"Mg",
"Mn",
"O"
],
"chemical_system": "Hf-Mg-Mn-O",
"density": 4.2216264998579724,
"density_atomic": 0.0980540748481136,
"volume": 326.35053718642706,
"volume_molar": 6.141652725119619,
"formula_full": "Hf1 Mg14 Mn1 O16",
"formula_reduced": "HfMg14MnO16",
"formula_anonymous": "ABC14D16",
"energy": -212.34606429,
"energy_per_atom": -6.6358145090625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.68606429,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.673794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:42.993000Z",
"spacegroup": 47
},
{
"id": "mp-581427",
"created_at": "2022-09-04T14:44:55.148609Z",
"structure_string": "Eu6 Re2 O14\n1.0\n3.832617 -5.505031 0.000000\n3.832617 5.505031 0.000000\n0.000000 0.000000 7.640037\nEu Re O\n6 2 14\ndirect\n0.488056 0.968440 0.750000 Eu\n0.000000 0.000000 0.500000 Eu\n0.031560 0.511944 0.250000 Eu\n0.968440 0.488056 0.750000 Eu\n0.511944 0.031560 0.250000 Eu\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.000000 Re\n0.500000 0.500000 0.500000 Re\n0.147783 0.878072 0.250000 O\n0.556710 0.799871 0.481586 O\n0.799871 0.556710 0.018414 O\n0.443290 0.200129 0.981586 O\n0.556710 0.799871 0.018414 O\n0.530185 0.530185 0.750000 O\n0.852217 0.121928 0.750000 O\n0.121928 0.852217 0.750000 O\n0.200129 0.443290 0.981586 O\n0.878072 0.147783 0.250000 O\n0.443290 0.200129 0.518414 O\n0.469815 0.469815 0.250000 O\n0.799871 0.556710 0.481586 O\n0.200129 0.443290 0.518414 O\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Eu",
"Re",
"O"
],
"chemical_system": "Eu-O-Re",
"density": 7.768271418282013,
"density_atomic": 0.06824047368426414,
"volume": 322.3893213547999,
"volume_molar": 8.824881239633994,
"formula_full": "Eu6 Re2 O14",
"formula_reduced": "Eu3ReO7",
"formula_anonymous": "AB3C7",
"energy": -220.91036683,
"energy_per_atom": -10.041380310454544,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -211.29236683,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 39.4072654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:41.298000Z",
"spacegroup": 63
},
{
"id": "mp-704203",
"created_at": "2022-09-04T14:44:52.097713Z",
"structure_string": "Li4 V2 P8 O26\n1.0\n5.081606 0.000000 0.000000\n1.208346 7.849270 0.000000\n1.785902 2.064301 13.471111\nLi V P O\n4 2 8 26\ndirect\n0.079259 0.321514 0.004531 Li\n0.644954 0.648057 0.515459 Li\n0.920741 0.678486 0.995469 Li\n0.355046 0.351943 0.484541 Li\n0.438315 0.054230 0.258387 V\n0.561685 0.945770 0.741613 V\n0.296828 0.667371 0.299126 P\n0.660015 0.422542 0.181662 P\n0.339985 0.577458 0.818338 P\n0.992655 0.100521 0.849504 P\n0.703172 0.332629 0.700874 P\n0.007345 0.899479 0.150496 P\n0.863891 0.211134 0.362157 P\n0.136109 0.788866 0.637843 P\n0.499296 0.398658 0.791400 O\n0.742609 0.290142 0.451617 O\n0.705105 0.969819 0.162552 O\n0.709107 0.070014 0.341051 O\n0.290893 0.929986 0.658949 O\n0.419296 0.815938 0.326047 O\n0.966027 0.255887 0.753629 O\n0.859466 0.361602 0.264548 O\n0.170713 0.037870 0.169939 O\n0.761034 0.473978 0.619496 O\n0.140534 0.638398 0.735452 O\n0.537030 0.707430 0.810257 O\n0.184306 0.533911 0.916832 O\n0.462970 0.292570 0.189743 O\n0.257391 0.709858 0.548383 O\n0.238966 0.526022 0.380504 O\n0.294895 0.030181 0.837448 O\n0.834002 0.859106 0.639623 O\n0.500704 0.601342 0.208600 O\n0.815694 0.466089 0.083168 O\n0.910591 0.175756 0.942401 O\n0.033973 0.744113 0.246371 O\n0.165998 0.140894 0.360377 O\n0.580704 0.184062 0.673953 O\n0.829287 0.962130 0.830061 O\n0.089409 0.824244 0.057599 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"V",
"P",
"O"
],
"chemical_system": "Li-O-P-V",
"density": 2.4519939139556937,
"density_atomic": 0.07444342041172738,
"volume": 537.3208240401946,
"volume_molar": 8.089554089123109,
"formula_full": "Li4 V2 P8 O26",
"formula_reduced": "Li2VP4O13",
"formula_anonymous": "AB2C4D13",
"energy": -302.68685509,
"energy_per_atom": -7.56717137725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -281.42485509,
"band_gap": 1.8286,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9983948,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:41.606000Z",
"spacegroup": 2
},
{
"id": "mp-608",
"created_at": "2022-09-04T14:44:52.240213Z",
"structure_string": "Ti1 Co3\n1.0\n3.607171 0.000000 0.000000\n0.000000 3.607171 0.000000\n0.000000 0.000000 3.607171\nTi Co\n1 3\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.000000 0.500000 0.500000 Co\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ti",
"Co"
],
"chemical_system": "Co-Ti",
"density": 7.948540456729966,
"density_atomic": 0.08522358495550096,
"volume": 46.93536421975887,
"volume_molar": 7.066284248831388,
"formula_full": "Ti1 Co3",
"formula_reduced": "TiCo3",
"formula_anonymous": "AB3",
"energy": -30.26725722,
"energy_per_atom": -7.566814305,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.26725722,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6850639,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:45.101000Z",
"spacegroup": 221
},
{
"id": "mp-1247621",
"created_at": "2022-09-04T14:44:55.908779Z",
"structure_string": "Sr4 Ca12 Mn16 O48\n1.0\n-0.001541 -0.000169 5.383488\n10.869443 0.003530 -0.003124\n0.004930 15.279685 -0.000480\nSr Ca Mn O\n4 12 16 48\ndirect\n0.995593 0.013659 0.124001 Sr\n0.004407 0.486340 0.375999 Sr\n0.492261 0.233962 0.376381 Sr\n0.507739 0.266038 0.123619 Sr\n0.990740 0.022220 0.625553 Ca\n0.990709 0.522050 0.124606 Ca\n0.991445 0.522554 0.625509 Ca\n0.009260 0.477779 0.874447 Ca\n0.009291 0.977950 0.375394 Ca\n0.008555 0.977446 0.874491 Ca\n0.491111 0.226813 0.873980 Ca\n0.493197 0.730635 0.375043 Ca\n0.490870 0.728385 0.874926 Ca\n0.508889 0.273186 0.626020 Ca\n0.506803 0.769365 0.124957 Ca\n0.509130 0.771615 0.625074 Ca\n0.502658 0.997857 0.996768 Mn\n0.499404 0.998864 0.501684 Mn\n0.500596 0.501136 0.998316 Mn\n0.497342 0.502143 0.503232 Mn\n0.998972 0.251122 0.997099 Mn\n0.001028 0.248878 0.502901 Mn\n0.997552 0.747855 0.997993 Mn\n0.002448 0.752145 0.502007 Mn\n0.000000 0.250000 0.250000 Mn\n0.000000 0.250000 0.750000 Mn\n0.000000 0.750000 0.250000 Mn\n0.000000 0.750000 0.750000 Mn\n0.502963 0.997435 0.252103 Mn\n0.499343 0.999485 0.749356 Mn\n0.497037 0.502565 0.247897 Mn\n0.500657 0.500515 0.750644 Mn\n0.213181 0.103339 0.267803 O\n0.205949 0.103948 0.770487 O\n0.215393 0.611069 0.265417 O\n0.206218 0.604112 0.770499 O\n0.786819 0.396661 0.232196 O\n0.794051 0.396051 0.729512 O\n0.784607 0.888931 0.234582 O\n0.793782 0.895888 0.729500 O\n0.716013 0.140740 0.236261 O\n0.705663 0.145855 0.729685 O\n0.712511 0.644332 0.230256 O\n0.706444 0.646108 0.729326 O\n0.283987 0.359260 0.263738 O\n0.294337 0.354144 0.770314 O\n0.287489 0.855668 0.269743 O\n0.293556 0.853892 0.770673 O\n0.286456 0.356987 0.488862 O\n0.291830 0.356499 0.977320 O\n0.292572 0.854461 0.480167 O\n0.288437 0.855239 0.979408 O\n0.713544 0.143013 0.011137 O\n0.708170 0.143500 0.522679 O\n0.707428 0.645539 0.019832 O\n0.711563 0.644760 0.520591 O\n0.795001 0.399222 0.016531 O\n0.786360 0.393406 0.521597 O\n0.784287 0.889780 0.014061 O\n0.793885 0.894914 0.521586 O\n0.204999 0.100778 0.483468 O\n0.213640 0.106593 0.978402 O\n0.215713 0.610219 0.485938 O\n0.206115 0.605086 0.978413 O\n0.576965 0.000904 0.377137 O\n0.577970 0.008777 0.872754 O\n0.551739 0.509400 0.375698 O\n0.579384 0.511695 0.874398 O\n0.423035 0.499095 0.122863 O\n0.422030 0.491223 0.627246 O\n0.448261 0.990599 0.124302 O\n0.420616 0.988304 0.625602 O\n0.054791 0.246277 0.123418 O\n0.078643 0.238522 0.626646 O\n0.073766 0.743853 0.123768 O\n0.078635 0.740952 0.626236 O\n0.945209 0.253722 0.376582 O\n0.921357 0.261478 0.873354 O\n0.926234 0.756146 0.376232 O\n0.921365 0.759048 0.873764 O\n",
"nsites": 80,
"nelements": 4,
"elements": [
"Sr",
"Ca",
"Mn",
"O"
],
"chemical_system": "Ca-Mn-O-Sr",
"density": 4.602930576953815,
"density_atomic": 0.08947560195306699,
"volume": 894.0984833157394,
"volume_molar": 6.7304836497873675,
"formula_full": "Sr4 Ca12 Mn16 O48",
"formula_reduced": "SrCa3Mn4O12",
"formula_anonymous": "AB3C4D12",
"energy": -613.26077689,
"energy_per_atom": -7.665759711125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -553.59677689,
"band_gap": 0.2846999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 47.9994652,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.779000Z",
"spacegroup": 2
},
{
"id": "mp-757876",
"created_at": "2022-09-04T14:44:52.114519Z",
"structure_string": "Li4 Mn4 Si12 O32\n1.0\n-3.126675 -0.593489 6.336467\n4.317484 6.508010 -0.142847\n-8.086511 6.657007 -6.331070\nLi Mn Si O\n4 4 12 32\ndirect\n0.211791 0.231444 0.408643 Li\n0.711716 0.731379 0.908542 Li\n0.288239 0.268630 0.091457 Li\n0.788138 0.768531 0.591356 Li\n0.011954 0.082409 0.863021 Mn\n0.988150 0.917443 0.136936 Mn\n0.511932 0.582605 0.362620 Mn\n0.488095 0.417404 0.637328 Mn\n0.009665 0.496721 0.273707 Si\n0.509689 0.996686 0.773704 Si\n0.490344 0.003328 0.226311 Si\n0.990319 0.503281 0.726296 Si\n0.992196 0.826619 0.371752 Si\n0.492221 0.326577 0.871842 Si\n0.507810 0.673452 0.128146 Si\n0.007793 0.173384 0.628245 Si\n0.815335 0.244932 0.078220 Si\n0.315347 0.744869 0.578177 Si\n0.684643 0.255130 0.421835 Si\n0.184662 0.755063 0.921785 Si\n0.224640 0.478575 0.340347 O\n0.724635 0.978597 0.840342 O\n0.275416 0.021449 0.159666 O\n0.775340 0.521407 0.659647 O\n0.190022 0.813319 0.465465 O\n0.690019 0.313333 0.965486 O\n0.309959 0.686650 0.034517 O\n0.809944 0.186655 0.534543 O\n0.842290 0.387335 0.348086 O\n0.342236 0.887400 0.847997 O\n0.657754 0.112634 0.152016 O\n0.157712 0.612684 0.651933 O\n0.786547 0.723251 0.421937 O\n0.286647 0.223284 0.922080 O\n0.713387 0.776722 0.077910 O\n0.213421 0.276705 0.578031 O\n0.969603 0.143507 0.052513 O\n0.469618 0.643402 0.552626 O\n0.530364 0.356588 0.447387 O\n0.030412 0.856514 0.947509 O\n0.002202 0.710484 0.261583 O\n0.502171 0.210453 0.761633 O\n0.497824 0.789567 0.238354 O\n0.997832 0.289539 0.738411 O\n0.952084 0.428582 0.146667 O\n0.452005 0.928631 0.646586 O\n0.547987 0.071368 0.353423 O\n0.047886 0.571437 0.853334 O\n0.017255 0.024027 0.315281 O\n0.517149 0.523965 0.815286 O\n0.482853 0.476066 0.184733 O\n0.982745 0.975984 0.684746 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Si",
"O"
],
"chemical_system": "Li-Mn-O-Si",
"density": 2.9154776937536226,
"density_atomic": 0.08326188359003492,
"volume": 624.535474792256,
"volume_molar": 7.232770266946918,
"formula_full": "Li4 Mn4 Si12 O32",
"formula_reduced": "LiMnSi3O8",
"formula_anonymous": "ABC3D8",
"energy": -416.27859838,
"energy_per_atom": -8.005357661153846,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -387.62259838,
"band_gap": 1.4876999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9976379,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.399000Z",
"spacegroup": 2
},
{
"id": "mp-1175152",
"created_at": "2022-09-04T14:44:53.068909Z",
"structure_string": "Li7 Mn2 Co3 O12\n1.0\n1.471723 6.339317 0.000000\n-1.471723 6.339317 0.000000\n0.000000 3.015273 11.658022\nLi Mn Co O\n7 2 3 12\ndirect\n0.672384 0.672384 0.572849 Li\n0.333500 0.333500 0.425939 Li\n0.000088 0.000088 0.262025 Li\n0.667762 0.667762 0.093072 Li\n0.333713 0.333713 0.908564 Li\n0.994461 0.994461 0.732604 Li\n0.336768 0.336768 0.663033 Li\n0.000453 0.000453 0.999374 Mn\n0.673194 0.673194 0.828178 Mn\n0.989408 0.989408 0.513711 Co\n0.657889 0.657889 0.341025 Co\n0.327451 0.327451 0.172479 Co\n0.507273 0.507273 0.372619 O\n0.170046 0.170046 0.208369 O\n0.845483 0.845483 0.046413 O\n0.504303 0.504303 0.890597 O\n0.163905 0.163905 0.729159 O\n0.842487 0.842487 0.538310 O\n0.819186 0.819186 0.799856 O\n0.504335 0.504335 0.621130 O\n0.165012 0.165012 0.450235 O\n0.830621 0.830621 0.277730 O\n0.502419 0.502419 0.105160 O\n0.157858 0.157858 0.947569 O\n",
"nsites": 24,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.024822970638338,
"density_atomic": 0.11032852931861879,
"volume": 217.53213015910123,
"volume_molar": 5.458371281836454,
"formula_full": "Li7 Mn2 Co3 O12",
"formula_reduced": "Li7Mn2(CoO4)3",
"formula_anonymous": "A2B3C7D12",
"energy": -156.81786766,
"energy_per_atom": -6.534077819166666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -140.32386766,
"band_gap": 0.4577,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0027119,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.354000Z",
"spacegroup": 8
},
{
"id": "mp-753432",
"created_at": "2022-09-04T14:44:56.091626Z",
"structure_string": "Li2 Mn2 Fe2 O8\n1.0\n-2.938751 2.982403 4.238432\n2.938751 -2.982403 4.238432\n2.938751 2.982403 -4.238432\nLi Mn Fe O\n2 2 2 8\ndirect\n0.135982 0.385982 0.750000 Li\n0.864018 0.614018 0.250000 Li\n0.500000 0.000000 0.000000 Mn\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n0.271020 0.789010 0.017990 O\n0.273711 0.243236 0.030475 O\n0.712761 0.243236 0.469525 O\n0.271020 0.253030 0.482010 O\n0.728980 0.746970 0.517990 O\n0.726289 0.756764 0.969525 O\n0.287239 0.756764 0.530475 O\n0.728980 0.210990 0.982010 O\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Fe",
"O"
],
"chemical_system": "Fe-Li-Mn-O",
"density": 4.061546446153063,
"density_atomic": 0.09421796224288448,
"volume": 148.59162379153776,
"volume_molar": 6.391711958782894,
"formula_full": "Li2 Mn2 Fe2 O8",
"formula_reduced": "LiMnFeO4",
"formula_anonymous": "ABCD4",
"energy": -105.83660726,
"energy_per_atom": -7.559757661428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -92.49260726,
"band_gap": 0.2833999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0014306,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:46.523000Z",
"spacegroup": 74
},
{
"id": "mp-1245736",
"created_at": "2022-09-04T14:44:55.953433Z",
"structure_string": "Li24 Mo8 N16\n1.0\n8.509318 0.000000 0.000000\n5.672878 8.022662 0.000000\n-5.672878 4.011331 6.947828\nLi Mo N\n24 8 16\ndirect\n0.220415 0.046069 0.993375 Li\n0.779585 0.766484 0.506625 Li\n0.779585 0.453931 0.772961 Li\n0.220415 0.733516 0.727039 Li\n0.233665 0.772961 0.273109 Li\n0.766335 0.727039 0.039444 Li\n0.233665 0.993375 0.460556 Li\n0.766335 0.506625 0.226891 Li\n0.687448 0.039444 0.733516 Li\n0.687448 0.273109 0.453931 Li\n0.312552 0.226891 0.766484 Li\n0.312552 0.460556 0.046069 Li\n0.779585 0.953931 0.006625 Li\n0.220415 0.233516 0.493375 Li\n0.220415 0.546069 0.227039 Li\n0.779585 0.266484 0.272961 Li\n0.766335 0.227039 0.726891 Li\n0.233665 0.272961 0.960556 Li\n0.766335 0.006625 0.539444 Li\n0.233665 0.493375 0.773109 Li\n0.312552 0.960556 0.266484 Li\n0.312552 0.726891 0.546069 Li\n0.687448 0.773109 0.233516 Li\n0.687448 0.539444 0.953931 Li\n0.232144 0.000000 0.732144 Mo\n0.767856 0.732144 0.767856 Mo\n0.767856 0.500000 0.500000 Mo\n0.232144 0.767856 0.000000 Mo\n0.767856 0.000000 0.267856 Mo\n0.232144 0.267856 0.232144 Mo\n0.232144 0.500000 0.500000 Mo\n0.767856 0.232144 0.000000 Mo\n0.000000 0.000000 0.500000 N\n0.000000 0.500000 0.000000 N\n0.000000 0.500000 0.500000 N\n0.000000 0.000000 0.000000 N\n0.500000 0.980035 0.750000 N\n0.500000 0.519965 0.250000 N\n0.000000 0.250000 0.730035 N\n0.000000 0.750000 0.769965 N\n0.539931 0.730035 0.519965 N\n0.460069 0.769965 0.980035 N\n0.500000 0.019965 0.250000 N\n0.500000 0.480035 0.750000 N\n0.000000 0.750000 0.269965 N\n0.000000 0.250000 0.230035 N\n0.460069 0.269965 0.480035 N\n0.539931 0.230035 0.019965 N\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Li",
"Mo",
"N"
],
"chemical_system": "Li-Mo-N",
"density": 4.054847728721538,
"density_atomic": 0.10119963111874326,
"volume": 474.310029289325,
"volume_molar": 5.950753667208412,
"formula_full": "Li24 Mo8 N16",
"formula_reduced": "Li3MoN2",
"formula_anonymous": "AB2C3",
"energy": -289.10547605,
"energy_per_atom": -6.0230307510416665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.32947605,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7274746,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:44.193000Z",
"spacegroup": 206
},
{
"id": "mp-1187727",
"created_at": "2022-09-04T14:44:57.912746Z",
"structure_string": "Yb1 Eu1 Zn2\n1.0\n0.000000 3.675174 3.675174\n3.675174 0.000000 3.675174\n3.675174 3.675174 0.000000\nYb Eu Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Eu\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Eu",
"Zn"
],
"chemical_system": "Eu-Yb-Zn",
"density": 7.623961031077398,
"density_atomic": 0.04028990833594625,
"volume": 99.28044429009636,
"volume_molar": 14.947020255757462,
"formula_full": "Yb1 Eu1 Zn2",
"formula_reduced": "YbEuZn2",
"formula_anonymous": "ABC2",
"energy": -15.55461598,
"energy_per_atom": -3.888653995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.55461598,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0760378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:47.898000Z",
"spacegroup": 225
}
]
}