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{
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"results": [
{
"id": "mp-774281",
"created_at": "2022-09-04T14:40:55.632331Z",
"structure_string": "Li4 Fe3 Ni2 Sn3 O16\n1.0\n3.047428 5.265520 0.000000\n-3.047428 5.265520 0.000000\n0.000000 0.190474 9.749914\nLi Fe Ni Sn O\n4 3 2 3 16\ndirect\n0.673852 0.673852 0.884953 Li\n0.983047 0.983047 0.995516 Li\n0.985700 0.985700 0.501539 Li\n0.339600 0.339600 0.394687 Li\n0.831851 0.831851 0.217853 Fe\n0.662247 0.170836 0.715179 Fe\n0.170836 0.662247 0.715179 Fe\n0.665924 0.665924 0.492777 Ni\n0.332379 0.332379 0.988001 Ni\n0.832346 0.339162 0.213789 Sn\n0.339162 0.832346 0.213789 Sn\n0.169980 0.169980 0.712245 Sn\n0.831887 0.314253 0.600182 O\n0.519160 0.519160 0.342157 O\n0.671020 0.671020 0.096033 O\n0.999841 0.999841 0.319508 O\n0.996666 0.996666 0.813888 O\n0.314253 0.831887 0.600182 O\n0.966911 0.531655 0.335209 O\n0.531655 0.966911 0.335209 O\n0.157469 0.157469 0.091905 O\n0.835633 0.835633 0.612929 O\n0.492481 0.041324 0.836014 O\n0.041324 0.492481 0.836014 O\n0.338794 0.338794 0.600178 O\n0.679037 0.147364 0.106159 O\n0.482608 0.482608 0.830679 O\n0.147364 0.679037 0.106159 O\n",
"nsites": 28,
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"elements": [
"Li",
"Fe",
"Ni",
"Sn",
"O"
],
"chemical_system": "Fe-Li-Ni-O-Sn",
"density": 4.907884449551715,
"density_atomic": 0.08948547144022444,
"volume": 312.89995514750984,
"volume_molar": 6.729741334628539,
"formula_full": "Li4 Fe3 Ni2 Sn3 O16",
"formula_reduced": "Li4Fe3Ni2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -184.7937012,
"energy_per_atom": -6.599775042857142,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -161.9517012,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9995437,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.452000Z",
"spacegroup": 8
},
{
"id": "mp-754740",
"created_at": "2022-09-04T14:41:02.121954Z",
"structure_string": "Li4 Nb2 V3 Co3 O16\n1.0\n2.985768 5.192648 0.000000\n-2.985768 5.192648 0.000000\n0.000000 0.094529 9.788002\nLi Nb V Co O\n4 2 3 3 16\ndirect\n0.666685 0.666685 0.902955 Li\n0.994585 0.994585 0.995441 Li\n0.996062 0.996062 0.487713 Li\n0.337900 0.337900 0.399384 Li\n0.653197 0.653197 0.488769 Nb\n0.333832 0.333832 0.999882 Nb\n0.824031 0.824031 0.228119 V\n0.652995 0.162871 0.717702 V\n0.162871 0.652995 0.717702 V\n0.835256 0.341486 0.211687 Co\n0.341486 0.835256 0.211687 Co\n0.169009 0.169009 0.708611 Co\n0.827003 0.328818 0.595047 O\n0.521472 0.521472 0.349215 O\n0.685286 0.685286 0.108772 O\n0.989872 0.989872 0.298577 O\n0.990926 0.990926 0.806259 O\n0.328818 0.827003 0.595047 O\n0.967607 0.532329 0.352614 O\n0.532329 0.967607 0.352614 O\n0.166078 0.166078 0.081320 O\n0.834485 0.834485 0.602801 O\n0.496215 0.038059 0.836911 O\n0.038059 0.496215 0.836911 O\n0.351180 0.351180 0.604403 O\n0.658897 0.165392 0.090438 O\n0.480978 0.480978 0.835373 O\n0.165392 0.658897 0.090438 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Nb",
"V",
"Co",
"O"
],
"chemical_system": "Co-Li-Nb-O-V",
"density": 4.372510159779829,
"density_atomic": 0.0922548152592776,
"volume": 303.50719278237545,
"volume_molar": 6.527725130742575,
"formula_full": "Li4 Nb2 V3 Co3 O16",
"formula_reduced": "Li4Nb2V3Co3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -220.44105013,
"energy_per_atom": -7.8728946475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -199.43505013,
"band_gap": 1.3413,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.620000Z",
"spacegroup": 8
},
{
"id": "mp-774787",
"created_at": "2022-09-04T14:40:59.279148Z",
"structure_string": "Li4 Mn3 Sn2 Sb3 O16\n1.0\n3.139884 5.532042 0.000000\n-3.139884 5.532042 0.000000\n0.000000 0.268894 9.999976\nLi Mn Sn Sb O\n4 3 2 3 16\ndirect\n0.656074 0.656074 0.111001 Li\n0.994090 0.994090 0.016909 Li\n0.996264 0.996264 0.499790 Li\n0.318839 0.318839 0.592118 Li\n0.831612 0.831612 0.786333 Mn\n0.174257 0.663716 0.289085 Mn\n0.663716 0.174257 0.289085 Mn\n0.677776 0.677776 0.499254 Sn\n0.344967 0.344967 0.021169 Sn\n0.338376 0.831292 0.784722 Sb\n0.831292 0.338376 0.784722 Sb\n0.173081 0.173081 0.284713 Sb\n0.331815 0.852596 0.405407 O\n0.517961 0.517961 0.663137 O\n0.656055 0.656055 0.894739 O\n0.008212 0.008212 0.685940 O\n0.016038 0.016038 0.196937 O\n0.852596 0.331815 0.405407 O\n0.504159 0.956560 0.659158 O\n0.956560 0.504159 0.659158 O\n0.160122 0.160122 0.893897 O\n0.841993 0.841993 0.412569 O\n0.032701 0.466430 0.153529 O\n0.466430 0.032701 0.153529 O\n0.318407 0.318407 0.396534 O\n0.173741 0.680228 0.900851 O\n0.481444 0.481444 0.151616 O\n0.680228 0.173741 0.900851 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"Sb",
"O"
],
"chemical_system": "Li-Mn-O-Sb-Sn",
"density": 5.024984628886875,
"density_atomic": 0.08059906533287621,
"volume": 347.3985695039921,
"volume_molar": 7.471725304913156,
"formula_full": "Li4 Mn3 Sn2 Sb3 O16",
"formula_reduced": "Li4Mn3Sn2Sb3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -192.00081158,
"energy_per_atom": -6.857171842142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.00481158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.9080378,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.373000Z",
"spacegroup": 8
},
{
"id": "mp-755860",
"created_at": "2022-09-04T14:41:02.377268Z",
"structure_string": "Li4 Cr3 Sn3 Sb2 O16\n1.0\n3.113322 5.354265 0.000000\n-3.113322 5.354265 0.000000\n0.000000 0.090114 10.129591\nLi Cr Sn Sb O\n4 3 3 2 16\ndirect\n0.330628 0.330628 0.109777 Li\n0.007987 0.007987 0.008894 Li\n0.006951 0.006951 0.500989 Li\n0.666184 0.666184 0.602152 Li\n0.169360 0.169360 0.784655 Cr\n0.830611 0.337722 0.284245 Cr\n0.337722 0.830611 0.284245 Cr\n0.663677 0.168391 0.784268 Sn\n0.168391 0.663677 0.784268 Sn\n0.832150 0.832150 0.284913 Sn\n0.326456 0.326456 0.497725 Sb\n0.659534 0.659534 0.016389 Sb\n0.691742 0.157303 0.398547 O\n0.488354 0.488354 0.666423 O\n0.329852 0.329852 0.894844 O\n0.004940 0.004940 0.682988 O\n0.004065 0.004065 0.188639 O\n0.157303 0.691742 0.398547 O\n0.480801 0.028993 0.669604 O\n0.028993 0.480801 0.669604 O\n0.845981 0.845981 0.903428 O\n0.155489 0.155489 0.391317 O\n0.965249 0.512112 0.164173 O\n0.512112 0.965249 0.164173 O\n0.663274 0.663274 0.389461 O\n0.850425 0.305778 0.898258 O\n0.515825 0.515825 0.171328 O\n0.305778 0.850425 0.898258 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Sn",
"Sb",
"O"
],
"chemical_system": "Cr-Li-O-Sb-Sn",
"density": 5.110730157977591,
"density_atomic": 0.08291101327091449,
"volume": 337.71146793863284,
"volume_molar": 7.263378557830978,
"formula_full": "Li4 Cr3 Sn3 Sb2 O16",
"formula_reduced": "Li4Cr3Sn3(SbO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -195.9124476,
"energy_per_atom": -6.996873128571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.9234476,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0001798,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.664000Z",
"spacegroup": 8
},
{
"id": "mp-764443",
"created_at": "2022-09-04T14:40:58.885763Z",
"structure_string": "Li4 Mn3 Fe3 W2 O16\n1.0\n5.962360 0.000000 0.000000\n2.977454 5.265162 0.000000\n0.139266 0.208447 9.869249\nLi Mn Fe W O\n4 3 3 2 16\ndirect\n0.659983 0.677170 0.909890 Li\n0.995706 0.008097 0.987842 Li\n0.000063 0.993034 0.485225 Li\n0.340564 0.329362 0.408171 Li\n0.830164 0.340164 0.210597 Mn\n0.661513 0.171236 0.713655 Mn\n0.166652 0.174742 0.713395 Mn\n0.823928 0.833519 0.215912 Fe\n0.337200 0.831978 0.214197 Fe\n0.169402 0.660963 0.713442 Fe\n0.671392 0.665224 0.483632 W\n0.316978 0.355713 0.987141 W\n0.835776 0.809543 0.585332 O\n0.534279 0.957051 0.354492 O\n0.676931 0.658590 0.113730 O\n0.986249 0.012157 0.297836 O\n0.991931 0.012287 0.799900 O\n0.354041 0.813220 0.578813 O\n0.969121 0.526684 0.350785 O\n0.542774 0.501059 0.353809 O\n0.160812 0.656340 0.089889 O\n0.839643 0.329212 0.591122 O\n0.479161 0.486243 0.860961 O\n0.031922 0.485349 0.858891 O\n0.346824 0.316744 0.613643 O\n0.645069 0.163113 0.086559 O\n0.471999 0.050012 0.843337 O\n0.160220 0.181192 0.085645 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Fe",
"W",
"O"
],
"chemical_system": "Fe-Li-Mn-O-W",
"density": 5.272718769544346,
"density_atomic": 0.09037410141386136,
"volume": 309.82327416763036,
"volume_molar": 6.6635691705769355,
"formula_full": "Li4 Mn3 Fe3 W2 O16",
"formula_reduced": "Li4Mn3Fe3(WO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -223.24265719,
"energy_per_atom": -7.972952042499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -191.60265719,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 25.000472,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:12.309000Z",
"spacegroup": 1
},
{
"id": "mp-774292",
"created_at": "2022-09-04T14:40:27.388983Z",
"structure_string": "Li8 Mn6 Sn6 Te4 O32\n1.0\n-3.140076 5.438001 -0.000936\n-9.421278 -5.438587 0.057077\n3.098402 5.412120 10.306762\nLi Mn Sn Te O\n8 6 6 4 32\ndirect\n0.550877 0.774571 0.898307 Li\n0.050866 0.274552 0.898317 Li\n0.506012 0.497752 0.987914 Li\n0.006007 0.997771 0.987919 Li\n0.752292 0.252590 0.495410 Li\n0.252279 0.752597 0.495414 Li\n0.296103 0.370133 0.407935 Li\n0.796098 0.870130 0.407940 Li\n0.894568 0.274050 0.210647 Mn\n0.893862 0.938728 0.712550 Mn\n0.393709 0.938759 0.712524 Mn\n0.394565 0.774049 0.210645 Mn\n0.393904 0.438711 0.712563 Mn\n0.893617 0.438712 0.712526 Mn\n0.142123 0.688221 0.715939 Sn\n0.642124 0.188183 0.715943 Sn\n0.140193 0.526170 0.215907 Sn\n0.640185 0.026204 0.215911 Sn\n0.643955 0.526152 0.215838 Sn\n0.143951 0.026188 0.215850 Sn\n0.756391 0.566733 0.487339 Te\n0.256419 0.066707 0.487304 Te\n0.007956 0.634548 0.984013 Te\n0.507916 0.134557 0.984010 Te\n0.838867 0.658124 0.322319 O\n0.338880 0.158141 0.322270 O\n0.945580 0.391744 0.108932 O\n0.445531 0.891844 0.108955 O\n0.842549 0.159511 0.315382 O\n0.342562 0.659493 0.315388 O\n0.597105 0.412936 0.806406 O\n0.097065 0.913022 0.806446 O\n0.444814 0.406029 0.109473 O\n0.944831 0.906120 0.109456 O\n0.711490 0.454055 0.576881 O\n0.211627 0.954047 0.576866 O\n0.192093 0.463495 0.615820 O\n0.692112 0.963476 0.615835 O\n0.070220 0.440062 0.859803 O\n0.570193 0.940047 0.859781 O\n0.967633 0.735045 0.610425 O\n0.467699 0.235010 0.610434 O\n0.421919 0.735163 0.610574 O\n0.921879 0.235148 0.610601 O\n0.047760 0.443913 0.352077 O\n0.547688 0.943915 0.352076 O\n0.600490 0.443784 0.351909 O\n0.100501 0.943860 0.351919 O\n0.320337 0.643998 0.823469 O\n0.820351 0.143966 0.823470 O\n0.856210 0.644002 0.823367 O\n0.356205 0.143980 0.823398 O\n0.710422 0.117049 0.088449 O\n0.210374 0.617051 0.088517 O\n0.200872 0.116536 0.088159 O\n0.700921 0.616506 0.088160 O\n",
"nsites": 56,
"nelements": 5,
"elements": [
"Li",
"Mn",
"Sn",
"Te",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Te",
"density": 4.985676860654395,
"density_atomic": 0.07931745464438456,
"volume": 706.0236646659039,
"volume_molar": 7.592453372337698,
"formula_full": "Li8 Mn6 Sn6 Te4 O32",
"formula_reduced": "Li4Mn3Sn3(TeO8)2",
"formula_anonymous": "A2B3C3D4E16",
"energy": -377.32441925,
"energy_per_atom": -6.737936058035714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -345.33241925,
"band_gap": 0.2427000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.08e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:03.972000Z",
"spacegroup": 8
},
{
"id": "mp-755012",
"created_at": "2022-09-04T14:40:24.650592Z",
"structure_string": "Li4 Ti3 Mn2 Sn3 O16\n1.0\n6.162554 0.014606 0.006193\n-3.068626 5.315039 -0.000017\n0.008317 0.004775 10.041546\nLi Ti Mn Sn O\n4 3 2 3 16\ndirect\n0.340455 0.670248 0.885953 Li\n0.976715 0.988353 0.996518 Li\n0.984679 0.992352 0.501484 Li\n0.672581 0.336295 0.391417 Li\n0.661284 0.830652 0.218914 Ti\n0.832003 0.169849 0.716056 Ti\n0.831920 0.662254 0.716028 Ti\n0.338863 0.669446 0.501200 Mn\n0.671596 0.335816 0.996668 Mn\n0.168477 0.831431 0.214478 Sn\n0.168483 0.337066 0.214480 Sn\n0.338398 0.169195 0.714543 Sn\n0.145416 0.837868 0.605292 O\n0.033384 0.516708 0.334883 O\n0.346455 0.673231 0.099913 O\n0.989209 0.994614 0.319919 O\n0.988015 0.994023 0.815426 O\n0.145410 0.307547 0.605295 O\n0.497842 0.971391 0.328051 O\n0.497838 0.526475 0.328055 O\n0.305186 0.152596 0.097809 O\n0.689763 0.844854 0.612415 O\n0.529289 0.494973 0.827876 O\n0.529294 0.034328 0.827874 O\n0.684293 0.342156 0.604331 O\n0.833064 0.687322 0.106389 O\n0.967022 0.483510 0.820191 O\n0.833063 0.145745 0.106384 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Ti",
"Mn",
"Sn",
"O"
],
"chemical_system": "Li-Mn-O-Sn-Ti",
"density": 4.504173943899611,
"density_atomic": 0.08501525470923568,
"volume": 329.3526567174797,
"volume_molar": 7.083600208687937,
"formula_full": "Li4 Ti3 Mn2 Sn3 O16",
"formula_reduced": "Li4Ti3Mn2Sn3O16",
"formula_anonymous": "A2B3C3D4E16",
"energy": -212.67718037,
"energy_per_atom": -7.595613584642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -198.34918037,
"band_gap": 1.348,
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"is_magnetic": true,
"total_magnetization": 10.0083407,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.144000Z",
"spacegroup": 8
},
{
"id": "mp-758153",
"created_at": "2022-09-04T14:40:21.366503Z",
"structure_string": "Li4 Cr3 Co3 Sb2 O16\n1.0\n2.939786 5.062860 0.000000\n-2.939786 5.062860 0.000000\n0.000000 0.115847 9.544224\nLi Cr Co Sb O\n4 3 3 2 16\ndirect\n0.329721 0.329721 0.101312 Li\n0.005751 0.005751 0.008166 Li\n0.004831 0.004831 0.505637 Li\n0.663913 0.663913 0.597040 Li\n0.660734 0.169662 0.785417 Cr\n0.169662 0.660734 0.785417 Cr\n0.830563 0.830563 0.285754 Cr\n0.171484 0.171484 0.784909 Co\n0.829985 0.341449 0.285471 Co\n0.341449 0.829985 0.285471 Co\n0.332972 0.332972 0.509079 Sb\n0.665288 0.665288 0.013217 Sb\n0.675852 0.164804 0.403959 O\n0.481948 0.481948 0.654734 O\n0.329340 0.329340 0.892647 O\n0.005982 0.005982 0.691721 O\n0.006560 0.006560 0.194061 O\n0.164804 0.675852 0.403959 O\n0.475689 0.033736 0.658649 O\n0.033736 0.475689 0.658649 O\n0.836677 0.836677 0.907799 O\n0.163912 0.163912 0.398139 O\n0.963535 0.511451 0.159714 O\n0.511451 0.963535 0.159714 O\n0.661056 0.661056 0.388735 O\n0.837820 0.328953 0.903185 O\n0.516609 0.516609 0.166363 O\n0.328953 0.837820 0.903185 O\n",
"nsites": 28,
"nelements": 5,
"elements": [
"Li",
"Cr",
"Co",
"Sb",
"O"
],
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{
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"formula_full": "Li4 Mn3 Cu3 Sn2 O16",
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{
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{
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"structure_string": "Li4 Ti3 Cu3 Te2 O16\n1.0\n2.986454 5.188037 0.000000\n-2.986454 5.188037 0.000000\n0.000000 0.301448 10.122613\nLi Ti Cu Te O\n4 3 3 2 16\ndirect\n0.658045 0.658045 0.088860 Li\n0.992168 0.992168 0.019130 Li\n0.007474 0.007474 0.511581 Li\n0.335275 0.335275 0.592155 Li\n0.352721 0.834121 0.781591 Ti\n0.834121 0.352721 0.781591 Ti\n0.173353 0.173353 0.278272 Ti\n0.831023 0.831023 0.797615 Cu\n0.168966 0.660981 0.284298 Cu\n0.660981 0.168966 0.284298 Cu\n0.676357 0.676357 0.496851 Te\n0.332303 0.332303 0.014959 Te\n0.346954 0.861397 0.392729 O\n0.511836 0.511836 0.686628 O\n0.659157 0.659157 0.891721 O\n0.001208 0.001208 0.708130 O\n0.000886 0.000886 0.203752 O\n0.861397 0.346954 0.392729 O\n0.480155 0.980761 0.666401 O\n0.980761 0.480155 0.666401 O\n0.168483 0.168483 0.905421 O\n0.846600 0.846600 0.412336 O\n0.029691 0.454188 0.136739 O\n0.454188 0.029691 0.136739 O\n0.330877 0.330877 0.380754 O\n0.173772 0.660090 0.917669 O\n0.471507 0.471507 0.145134 O\n0.660090 0.173772 0.917669 O\n",
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}