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=-decomposes_to&page=12131",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12129",
"results": [
{
"id": "mp-567618",
"created_at": "2022-09-04T14:42:50.995857Z",
"structure_string": "Si20 Pt48\n1.0\n13.570919 0.000000 0.000000\n0.000000 13.570919 0.000000\n0.000000 0.000000 5.618632\nSi Pt\n20 48\ndirect\n0.185374 0.884434 0.985420 Si\n0.692981 0.886864 0.565609 Si\n0.886864 0.307019 0.434391 Si\n0.113136 0.692981 0.434391 Si\n0.307019 0.113136 0.565609 Si\n0.000000 0.000000 0.500000 Si\n0.115566 0.185374 0.014580 Si\n0.814626 0.115566 0.985420 Si\n0.807019 0.613136 0.434391 Si\n0.314626 0.615566 0.014580 Si\n0.685374 0.384434 0.014580 Si\n0.615566 0.685374 0.985420 Si\n0.386864 0.807019 0.565609 Si\n0.884434 0.814626 0.014580 Si\n0.192981 0.386864 0.434391 Si\n0.000000 0.500000 0.945313 Si\n0.384434 0.314626 0.985420 Si\n0.500000 0.000000 0.054687 Si\n0.613136 0.192981 0.565609 Si\n0.500000 0.500000 0.500000 Si\n0.646806 0.018371 0.307154 Pt\n0.666018 0.207133 0.097925 Pt\n0.481629 0.146806 0.307154 Pt\n0.146806 0.518371 0.692846 Pt\n0.147131 0.534699 0.192958 Pt\n0.707133 0.833982 0.097925 Pt\n0.153320 0.213705 0.463004 Pt\n0.353194 0.981629 0.307154 Pt\n0.286295 0.653320 0.463004 Pt\n0.462920 0.655648 0.755072 Pt\n0.962920 0.155648 0.244928 Pt\n0.465301 0.147131 0.807042 Pt\n0.155648 0.037080 0.755072 Pt\n0.655648 0.537080 0.244928 Pt\n0.213705 0.846680 0.536996 Pt\n0.833982 0.292867 0.902075 Pt\n0.981629 0.646806 0.692846 Pt\n0.037080 0.844352 0.244928 Pt\n0.786295 0.153320 0.536996 Pt\n0.018371 0.353194 0.692846 Pt\n0.207133 0.333982 0.902075 Pt\n0.519684 0.353789 0.254256 Pt\n0.846680 0.786295 0.463004 Pt\n0.344352 0.462920 0.244928 Pt\n0.292867 0.166018 0.097925 Pt\n0.537080 0.344352 0.755072 Pt\n0.852869 0.465301 0.192958 Pt\n0.713705 0.346680 0.463004 Pt\n0.647131 0.034699 0.807042 Pt\n0.646211 0.519684 0.745744 Pt\n0.792867 0.666018 0.902075 Pt\n0.653320 0.713705 0.536996 Pt\n0.844352 0.962920 0.755072 Pt\n0.965301 0.647131 0.192958 Pt\n0.480316 0.646211 0.254256 Pt\n0.352869 0.965301 0.807042 Pt\n0.853789 0.980316 0.254256 Pt\n0.166018 0.707133 0.902075 Pt\n0.019684 0.853789 0.745744 Pt\n0.034699 0.352869 0.192958 Pt\n0.534699 0.852869 0.807042 Pt\n0.980316 0.146211 0.745744 Pt\n0.346680 0.286295 0.536996 Pt\n0.333982 0.792867 0.097925 Pt\n0.353789 0.480316 0.745744 Pt\n0.853194 0.481629 0.692846 Pt\n0.518371 0.853194 0.307154 Pt\n0.146211 0.019684 0.254256 Pt\n",
"nsites": 68,
"nelements": 2,
"elements": [
"Si",
"Pt"
],
"chemical_system": "Pt-Si",
"density": 15.928063368455492,
"density_atomic": 0.06571428813794189,
"volume": 1034.7825705310865,
"volume_molar": 9.164126905489457,
"formula_full": "Si20 Pt48",
"formula_reduced": "Si5Pt12",
"formula_anonymous": "A5B12",
"energy": -439.28535066,
"energy_per_atom": -6.4600786861764705,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -439.28535066,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000507,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:55.263000Z",
"spacegroup": 85
},
{
"id": "mp-726892",
"created_at": "2022-09-04T14:42:50.997640Z",
"structure_string": "Al4 Si8 O24\n1.0\n4.572716 2.639677 0.000000\n-4.572716 2.639677 0.000000\n0.000000 1.473777 19.303067\nAl Si O\n4 8 24\ndirect\n0.177983 0.355379 0.500044 Al\n0.644621 0.822017 0.999956 Al\n0.822017 0.644621 0.499956 Al\n0.355379 0.177983 0.000044 Al\n0.099188 0.613918 0.641037 Si\n0.386082 0.900812 0.858963 Si\n0.900812 0.386082 0.358963 Si\n0.613918 0.099188 0.141037 Si\n0.443898 0.303853 0.641176 Si\n0.696147 0.556102 0.858824 Si\n0.556102 0.696147 0.358824 Si\n0.303853 0.443898 0.141176 Si\n0.087652 0.587081 0.556292 O\n0.412919 0.912348 0.943708 O\n0.912348 0.412919 0.443708 O\n0.587081 0.087652 0.056292 O\n0.484266 0.379910 0.556367 O\n0.620090 0.515734 0.943633 O\n0.515734 0.620090 0.443633 O\n0.379910 0.484266 0.056367 O\n0.890572 0.986956 0.545028 O\n0.013044 0.109428 0.954972 O\n0.109428 0.013044 0.454972 O\n0.986956 0.890572 0.045028 O\n0.282738 0.953566 0.660033 O\n0.046434 0.717262 0.839967 O\n0.717262 0.046434 0.339967 O\n0.953566 0.282738 0.160033 O\n0.762876 0.466175 0.673642 O\n0.533825 0.237124 0.826358 O\n0.237124 0.533825 0.326358 O\n0.466175 0.762876 0.173642 O\n0.246512 0.433862 0.673852 O\n0.566138 0.753488 0.826148 O\n0.753488 0.566138 0.326148 O\n0.433862 0.246512 0.173852 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Al",
"Si",
"O"
],
"chemical_system": "Al-O-Si",
"density": 2.553536070038153,
"density_atomic": 0.07725403453402921,
"volume": 465.99507996106735,
"volume_molar": 7.795244347202785,
"formula_full": "Al4 Si8 O24",
"formula_reduced": "Al(SiO3)2",
"formula_anonymous": "AB2C6",
"energy": -286.78813061,
"energy_per_atom": -7.966336961388889,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -270.30013061,
"band_gap": 2.9224,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0344135,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:51.377000Z",
"spacegroup": 15
},
{
"id": "mp-1523005",
"created_at": "2022-09-04T14:42:51.003146Z",
"structure_string": "Sr2 Ca2 Gd2 Nb2 O12\n1.0\n5.821603 0.000000 0.000000\n0.000000 5.821603 0.000000\n0.000000 -0.000000 8.531374\nSr Ca Gd Nb O\n2 2 2 2 12\ndirect\n0.500000 -0.000000 0.250000 Sr\n0.000000 0.500000 0.750000 Sr\n0.000000 0.500000 0.250000 Ca\n0.500000 0.000000 0.750000 Ca\n0.000000 -0.000000 -0.000000 Gd\n0.500000 0.500000 0.500000 Gd\n0.000000 -0.000000 0.500000 Nb\n0.500000 0.500000 0.000000 Nb\n0.000000 0.000000 0.263064 O\n0.500000 0.500000 0.236936 O\n0.000000 -0.000000 0.736936 O\n0.500000 0.500000 0.763064 O\n0.340370 0.192526 0.985341 O\n0.659630 0.807474 0.985341 O\n0.807474 0.340370 0.014659 O\n0.192526 0.659630 0.014659 O\n0.840370 0.307474 0.485341 O\n0.159630 0.692526 0.485341 O\n0.307474 0.159630 0.514659 O\n0.692526 0.840370 0.514659 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Gd",
"Nb",
"O"
],
"chemical_system": "Ca-Gd-Nb-O-Sr",
"density": 5.4427268654503775,
"density_atomic": 0.06917128492075657,
"volume": 289.13732082485143,
"volume_molar": 8.706128224882674,
"formula_full": "Sr2 Ca2 Gd2 Nb2 O12",
"formula_reduced": "SrCaGdNbO6",
"formula_anonymous": "ABCDE6",
"energy": -182.80020525,
"energy_per_atom": -9.1400102625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.55620525,
"band_gap": 2.6866,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 13.9999989,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.199000Z",
"spacegroup": 118
},
{
"id": "mp-1222612",
"created_at": "2022-09-04T14:42:51.006877Z",
"structure_string": "Li2 Sn1 Ir1\n1.0\n0.000000 3.143837 3.143837\n3.143837 0.000000 3.143837\n3.143837 3.143837 0.000000\nLi Sn Ir\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.000000 0.000000 0.000000 Sn\n0.750000 0.750000 0.750000 Ir\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Sn",
"Ir"
],
"chemical_system": "Ir-Li-Sn",
"density": 8.678948145657666,
"density_atomic": 0.06436502362921398,
"volume": 62.145553197380956,
"volume_molar": 9.356231724067404,
"formula_full": "Li2 Sn1 Ir1",
"formula_reduced": "Li2SnIr",
"formula_anonymous": "ABC2",
"energy": -18.31960032,
"energy_per_atom": -4.57990008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.31960032,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016625,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:10.460000Z",
"spacegroup": 216
},
{
"id": "mp-1214068",
"created_at": "2022-09-04T14:42:51.017685Z",
"structure_string": "Cr3 Cd1 F6\n1.0\n-3.500910 -5.314742 0.435376\n-4.028936 5.596584 -0.473865\n0.257199 0.881196 -15.332469\nCr Cd F\n3 1 6\ndirect\n0.000000 0.000000 0.500000 Cr\n0.500000 0.500000 0.000000 Cr\n0.000000 0.500000 0.000000 Cr\n0.000000 0.000000 0.000000 Cd\n0.972765 0.279902 0.923359 F\n0.027235 0.720098 0.076641 F\n0.915700 0.948715 0.611906 F\n0.084300 0.051285 0.388094 F\n0.665275 0.786368 0.953999 F\n0.334725 0.213632 0.046001 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Cr",
"Cd",
"F"
],
"chemical_system": "Cd-Cr-F",
"density": 1.0147634669042525,
"density_atomic": 0.01598120485744183,
"volume": 625.7350487152654,
"volume_molar": 37.682645418287855,
"formula_full": "Cr3 Cd1 F6",
"formula_reduced": "Cr3CdF6",
"formula_anonymous": "AB3C6",
"energy": -58.55947440999999,
"energy_per_atom": -5.855947441,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -49.79047441,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9299266,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.242000Z",
"spacegroup": 2
},
{
"id": "mp-1226445",
"created_at": "2022-09-04T14:42:51.023542Z",
"structure_string": "Co3 Ge2\n1.0\n1.965041 -3.403551 0.000000\n1.965041 3.403551 0.000000\n0.000000 0.000000 4.871540\nCo Ge\n3 2\ndirect\n0.000000 0.000000 0.241852 Co\n0.000000 0.000000 0.758148 Co\n0.333333 0.666667 0.500000 Co\n0.333333 0.666667 0.000000 Ge\n0.666667 0.333333 0.500000 Ge\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Co",
"Ge"
],
"chemical_system": "Co-Ge",
"density": 8.207523748604169,
"density_atomic": 0.07673082310109479,
"volume": 65.16286151931897,
"volume_molar": 7.848398487874525,
"formula_full": "Co3 Ge2",
"formula_reduced": "Co3Ge2",
"formula_anonymous": "A2B3",
"energy": -31.13407092,
"energy_per_atom": -6.226814184,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.13407092,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9498999,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.005000Z",
"spacegroup": 187
},
{
"id": "mp-30911",
"created_at": "2022-09-04T14:42:51.030229Z",
"structure_string": "Tb2 Co2 Sn4\n1.0\n2.188541 -9.169087 0.000000\n2.188541 9.169087 0.000000\n0.000000 0.000000 4.460880\nTb Co Sn\n2 2 4\ndirect\n0.113915 0.886085 0.750000 Tb\n0.886085 0.113915 0.250000 Tb\n0.680037 0.319963 0.250000 Co\n0.319963 0.680037 0.750000 Co\n0.548407 0.451593 0.250000 Sn\n0.251680 0.748320 0.250000 Sn\n0.451593 0.548407 0.750000 Sn\n0.748320 0.251680 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Tb",
"Co",
"Sn"
],
"chemical_system": "Co-Sn-Tb",
"density": 8.445492117100114,
"density_atomic": 0.04468468184392339,
"volume": 179.03226944622207,
"volume_molar": 13.476969089842457,
"formula_full": "Tb2 Co2 Sn4",
"formula_reduced": "TbCoSn2",
"formula_anonymous": "ABC2",
"energy": -42.66581474,
"energy_per_atom": -5.3332268425,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.66581474,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8.12e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:53.916000Z",
"spacegroup": 63
},
{
"id": "mp-28234",
"created_at": "2022-09-04T14:42:51.037201Z",
"structure_string": "Ca2 Al24 O38\n1.0\n2.807940 -4.863495 0.000000\n2.807940 4.863495 0.000000\n0.000000 0.000000 22.050870\nCa Al O\n2 24 38\ndirect\n0.666667 0.333333 0.250000 Ca\n0.333333 0.666667 0.750000 Ca\n0.000000 0.000000 0.750000 Al\n0.000000 0.000000 0.250000 Al\n0.000000 0.000000 0.500000 Al\n0.000000 0.000000 0.000000 Al\n0.333333 0.666667 0.308969 Al\n0.666667 0.333333 0.808969 Al\n0.666667 0.333333 0.691031 Al\n0.333333 0.666667 0.191031 Al\n0.333333 0.666667 0.471954 Al\n0.666667 0.333333 0.971954 Al\n0.666667 0.333333 0.528046 Al\n0.333333 0.666667 0.028046 Al\n0.168345 0.831655 0.609569 Al\n0.168345 0.336689 0.609569 Al\n0.663311 0.831655 0.609569 Al\n0.336689 0.168345 0.109569 Al\n0.831655 0.663311 0.390431 Al\n0.831655 0.168345 0.109569 Al\n0.831655 0.663311 0.109569 Al\n0.168345 0.831655 0.890431 Al\n0.663311 0.831655 0.890431 Al\n0.336689 0.168345 0.390431 Al\n0.831655 0.168345 0.390431 Al\n0.168345 0.336689 0.890431 Al\n0.818412 0.636824 0.750000 O\n0.181588 0.818412 0.250000 O\n0.636824 0.818412 0.250000 O\n0.363176 0.181588 0.750000 O\n0.818412 0.181588 0.750000 O\n0.181588 0.363176 0.250000 O\n0.000000 0.000000 0.350070 O\n0.000000 0.000000 0.850070 O\n0.000000 0.000000 0.649930 O\n0.000000 0.000000 0.149930 O\n0.333333 0.666667 0.554756 O\n0.666667 0.333333 0.054756 O\n0.666667 0.333333 0.445244 O\n0.333333 0.666667 0.945244 O\n0.503505 0.496495 0.350443 O\n0.155166 0.844834 0.447721 O\n0.503505 0.007010 0.350443 O\n0.007010 0.503505 0.850443 O\n0.496495 0.992990 0.649557 O\n0.496495 0.503505 0.850443 O\n0.496495 0.992990 0.850443 O\n0.503505 0.496495 0.149557 O\n0.992990 0.496495 0.149557 O\n0.007010 0.503505 0.649557 O\n0.496495 0.503505 0.649557 O\n0.503505 0.007010 0.149557 O\n0.155166 0.310333 0.052279 O\n0.844834 0.155166 0.552279 O\n0.310333 0.155166 0.552279 O\n0.689667 0.844834 0.052279 O\n0.155166 0.844834 0.052279 O\n0.844834 0.689667 0.947721 O\n0.844834 0.155166 0.947721 O\n0.844834 0.689667 0.552279 O\n0.310333 0.155166 0.947721 O\n0.689667 0.844834 0.447721 O\n0.155166 0.310333 0.447721 O\n0.992990 0.496495 0.350443 O\n",
"nsites": 64,
"nelements": 3,
"elements": [
"Ca",
"Al",
"O"
],
"chemical_system": "Al-Ca-O",
"density": 3.68266989222138,
"density_atomic": 0.10626443859284765,
"volume": 602.2710969679715,
"volume_molar": 5.667127065032397,
"formula_full": "Ca2 Al24 O38",
"formula_reduced": "CaAl12O19",
"formula_anonymous": "AB12C19",
"energy": -501.38243873,
"energy_per_atom": -7.83410060515625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -475.27643873,
"band_gap": 4.4099,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:54.167000Z",
"spacegroup": 194
},
{
"id": "mp-1094176",
"created_at": "2022-09-04T14:42:51.044078Z",
"structure_string": "La2 Mg4\n1.0\n1.717279 6.210483 0.000000\n-1.717279 6.210483 0.000000\n0.000000 2.009441 7.822708\nLa Mg\n2 4\ndirect\n0.643335 0.643335 0.454504 La\n0.356665 0.356665 0.545496 La\n0.315166 0.315166 0.114245 Mg\n0.022070 0.022070 0.180399 Mg\n0.977930 0.977930 0.819601 Mg\n0.684834 0.684834 0.885755 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"La",
"Mg"
],
"chemical_system": "La-Mg",
"density": 3.7321822602189103,
"density_atomic": 0.035958196282333973,
"volume": 166.86042739434515,
"volume_molar": 16.74761635070844,
"formula_full": "La2 Mg4",
"formula_reduced": "LaMg2",
"formula_anonymous": "AB2",
"energy": -16.35135776,
"energy_per_atom": -2.7252262933333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.35135776,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.1714776,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.997000Z",
"spacegroup": 12
},
{
"id": "mp-1220840",
"created_at": "2022-09-04T14:42:51.044805Z",
"structure_string": "Nb3 Pb2 O7 F5\n1.0\n-1.942548 1.980833 16.782179\n1.942548 -1.980833 16.782179\n1.942548 1.980833 -16.782179\nNb Pb O F\n3 2 7 5\ndirect\n0.619622 0.619622 0.000000 Nb\n0.384161 0.384161 0.000000 Nb\n0.504377 0.504377 0.000000 Nb\n0.790098 0.790098 0.000000 Pb\n0.195118 0.195118 0.000000 Pb\n0.564293 0.564293 0.000000 O\n0.436946 0.436946 0.000000 O\n0.997382 0.497382 0.500000 O\n0.496254 0.996254 0.500000 O\n0.373782 0.873782 0.500000 O\n0.131424 0.631424 0.500000 O\n0.632228 0.132228 0.500000 O\n0.687956 0.687956 0.000000 F\n0.316843 0.316843 0.000000 F\n0.748658 0.248658 0.500000 F\n0.248733 0.748733 0.500000 F\n0.872124 0.372124 0.500000 F\n",
"nsites": 17,
"nelements": 4,
"elements": [
"Nb",
"Pb",
"O",
"F"
],
"chemical_system": "F-Nb-O-Pb",
"density": 5.786490620904534,
"density_atomic": 0.06581440502036716,
"volume": 258.3021147838246,
"volume_molar": 9.150186434316876,
"formula_full": "Nb3 Pb2 O7 F5",
"formula_reduced": "Nb3Pb2O7F5",
"formula_anonymous": "A2B3C5D7",
"energy": -130.89457785000002,
"energy_per_atom": -7.6996810500000015,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -123.77557785,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0038971,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:52.463000Z",
"spacegroup": 44
},
{
"id": "mp-780556",
"created_at": "2022-09-04T14:42:51.046670Z",
"structure_string": "Co10 O5 F15\n1.0\n4.709450 0.000000 0.000000\n0.216285 5.663771 0.000000\n0.486521 2.527577 13.070247\nCo O F\n10 5 15\ndirect\n0.484388 0.511553 0.005879 Co\n0.507470 0.696318 0.397360 Co\n0.487842 0.300852 0.604241 Co\n0.499287 0.100371 0.199355 Co\n0.539840 0.888317 0.786386 Co\n0.999397 0.199100 0.400593 Co\n0.975630 0.413536 0.806245 Co\n0.996711 0.602295 0.201259 Co\n0.020238 0.787069 0.595214 Co\n0.001399 0.003083 0.998629 Co\n0.703052 0.967290 0.662616 O\n0.701737 0.580774 0.862189 O\n0.700005 0.781976 0.258345 O\n0.295137 0.424316 0.139511 O\n0.298446 0.619823 0.540630 O\n0.799668 0.279130 0.260645 F\n0.802787 0.086058 0.858519 F\n0.800740 0.688374 0.059806 F\n0.802513 0.880105 0.461741 F\n0.810016 0.472061 0.663089 F\n0.690404 0.185778 0.058337 F\n0.693929 0.379107 0.462972 F\n0.289693 0.214634 0.747816 F\n0.308569 0.830153 0.929750 F\n0.306999 0.018712 0.339870 F\n0.197679 0.922710 0.138597 F\n0.192840 0.324848 0.938115 F\n0.193026 0.116801 0.541528 F\n0.204820 0.707165 0.740132 F\n0.195739 0.517692 0.340632 F\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Co",
"O",
"F"
],
"chemical_system": "Co-F-O",
"density": 4.545447281039084,
"density_atomic": 0.08605212194341753,
"volume": 348.6259179027115,
"volume_molar": 6.998247833981109,
"formula_full": "Co10 O5 F15",
"formula_reduced": "Co2OF3",
"formula_anonymous": "AB2C3",
"energy": -182.72188464,
"energy_per_atom": -6.090729488,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -155.97688464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 34.6752886,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:12.497000Z",
"spacegroup": 1
},
{
"id": "mp-775905",
"created_at": "2022-09-04T14:42:51.058987Z",
"structure_string": "Li8 Mn4 P8 O28\n1.0\n6.909428 0.000000 0.000000\n0.000000 5.135021 0.000000\n0.000000 0.164473 16.304084\nLi Mn P O\n8 4 8 28\ndirect\n0.469550 0.256893 0.258184 Li\n0.030450 0.256893 0.758184 Li\n0.704594 0.233054 0.992775 Li\n0.795406 0.233054 0.492775 Li\n0.204594 0.766946 0.507225 Li\n0.295406 0.766946 0.007225 Li\n0.969550 0.743107 0.241816 Li\n0.530450 0.743107 0.741816 Li\n0.079107 0.243830 0.131079 Mn\n0.420893 0.243830 0.631079 Mn\n0.579107 0.756170 0.368921 Mn\n0.920893 0.756170 0.868921 Mn\n0.286886 0.249227 0.427189 P\n0.213114 0.249227 0.927189 P\n0.904901 0.243586 0.334405 P\n0.595099 0.243586 0.834405 P\n0.404901 0.756414 0.165595 P\n0.095099 0.756414 0.665595 P\n0.786886 0.750773 0.072811 P\n0.713114 0.750773 0.572811 P\n0.817525 0.455097 0.075902 O\n0.682475 0.455097 0.575902 O\n0.751086 0.407703 0.377035 O\n0.748914 0.407703 0.877035 O\n0.010715 0.378134 0.262971 O\n0.489285 0.378134 0.762971 O\n0.054679 0.194218 0.411841 O\n0.445321 0.194218 0.911841 O\n0.190711 0.124022 0.012395 O\n0.309289 0.124022 0.512395 O\n0.396561 0.104156 0.360576 O\n0.103439 0.104156 0.860576 O\n0.329933 0.027625 0.187229 O\n0.170067 0.027625 0.687229 O\n0.829933 0.972375 0.312771 O\n0.670067 0.972375 0.812771 O\n0.896561 0.895844 0.139424 O\n0.603439 0.895844 0.639424 O\n0.690711 0.875978 0.487605 O\n0.809289 0.875978 0.987605 O\n0.554679 0.805782 0.088159 O\n0.945321 0.805782 0.588159 O\n0.510715 0.621866 0.237029 O\n0.989285 0.621866 0.737029 O\n0.251086 0.592297 0.122965 O\n0.248914 0.592297 0.622965 O\n0.317525 0.544903 0.424098 O\n0.182475 0.544903 0.924098 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.7874784649035234,
"density_atomic": 0.08297753201926682,
"volume": 578.4698439675782,
"volume_molar": 7.257555887058319,
"formula_full": "Li8 Mn4 P8 O28",
"formula_reduced": "Li2MnP2O7",
"formula_anonymous": "AB2C2D7",
"energy": -360.59583296,
"energy_per_atom": -7.512413186666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -334.68783296,
"band_gap": 4.0492,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 19.9990417,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:53.047000Z",
"spacegroup": 14
}
]
}