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{
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"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=12182",
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"results": [
{
"id": "mp-1048100",
"created_at": "2022-09-04T14:40:52.105140Z",
"structure_string": "Ba2 Tl2 Bi4 O12\n1.0\n3.990118 0.003057 -0.366806\n-0.030779 3.992322 -0.367261\n0.197569 0.196659 23.966997\nBa Tl Bi O\n2 2 4 12\ndirect\n0.164927 0.164979 0.330319 Ba\n0.835101 0.835108 0.669805 Ba\n0.726251 0.726641 0.452290 Tl\n0.274027 0.274081 0.547645 Tl\n0.533306 0.533324 0.067062 Bi\n0.393666 0.393774 0.787772 Bi\n0.606152 0.606230 0.212041 Bi\n0.466869 0.466875 0.933297 Bi\n0.373495 0.873472 0.747026 O\n0.547065 0.047050 0.094690 O\n0.230713 0.229989 0.461291 O\n0.953066 0.453005 0.905497 O\n0.769003 0.768854 0.538343 O\n0.126430 0.626455 0.252835 O\n0.626322 0.126491 0.252747 O\n0.315994 0.316080 0.631802 O\n0.873408 0.373520 0.746996 O\n0.047377 0.547484 0.095419 O\n0.452863 0.952921 0.905228 O\n0.683962 0.683667 0.367894 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
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"O"
],
"chemical_system": "Ba-Bi-O-Tl",
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"volume": 382.3720906940568,
"volume_molar": 11.51349276427548,
"formula_full": "Ba2 Tl2 Bi4 O12",
"formula_reduced": "BaTl(BiO3)2",
"formula_anonymous": "ABC2D6",
"energy": -114.41770809000002,
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"band_gap": 0.0,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.037000Z",
"spacegroup": 139
},
{
"id": "mp-1233457",
"created_at": "2022-09-04T14:40:43.982946Z",
"structure_string": "Sr4 Mg1 Mn2 Ga2 O10\n1.0\n0.175335 -0.425999 6.528995\n-0.271764 6.087000 -0.435873\n-7.962259 3.218158 2.780046\nSr Mg Mn Ga O\n4 1 2 2 10\ndirect\n0.188594 0.632420 0.781488 Sr\n0.773213 0.393567 0.218226 Sr\n0.765032 0.076724 0.743419 Sr\n0.391264 0.930609 0.209938 Sr\n0.306191 0.476328 0.145783 Mg\n0.622795 0.488578 0.878281 Mn\n0.011361 0.018279 0.029585 Mn\n0.634290 0.698936 0.478018 Ga\n0.334163 0.278425 0.537298 Ga\n0.287489 0.292246 0.005632 O\n0.118797 0.698166 0.123034 O\n0.838408 0.293872 0.924232 O\n0.613463 0.693067 0.023646 O\n0.619826 0.758391 0.664829 O\n0.345605 0.231143 0.344521 O\n0.134797 0.040739 0.736345 O\n0.765243 0.953338 0.269490 O\n0.320099 0.604314 0.503134 O\n0.643657 0.369429 0.518814 O\n",
"nsites": 19,
"nelements": 5,
"elements": [
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"Mg",
"Mn",
"Ga",
"O"
],
"chemical_system": "Ga-Mg-Mn-O-Sr",
"density": 4.171321531500054,
"density_atomic": 0.06087039403366592,
"volume": 312.13860698012843,
"volume_molar": 9.893382251919222,
"formula_full": "Sr4 Mg1 Mn2 Ga2 O10",
"formula_reduced": "Sr4MgMn2(GaO5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -131.55145836,
"energy_per_atom": -6.92376096631579,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -121.34545836,
"band_gap": 1.411,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.9968045,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:07.935000Z",
"spacegroup": 1
},
{
"id": "mp-1519536",
"created_at": "2022-09-04T14:40:44.007808Z",
"structure_string": "Sr1 Mn1 Bi1 Sb1 O6\n1.0\n-0.000000 -4.065598 -4.065598\n4.065598 -0.000000 -4.065598\n4.065598 -4.065598 0.000000\nSr Mn Bi Sb O\n1 1 1 1 6\ndirect\n0.750000 0.750000 0.750000 Sr\n0.000000 -0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Sb\n0.743962 0.256038 0.256038 O\n0.256038 0.743962 0.743962 O\n0.743962 0.256038 0.743962 O\n0.256038 0.743962 0.256038 O\n0.743962 0.743962 0.256038 O\n0.256038 0.256038 0.743962 O\n",
"nsites": 10,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Bi",
"Sb",
"O"
],
"chemical_system": "Bi-Mn-O-Sb-Sr",
"density": 7.0336872045414545,
"density_atomic": 0.07440407162337387,
"volume": 134.40124689168923,
"volume_molar": 8.09383227101265,
"formula_full": "Sr1 Mn1 Bi1 Sb1 O6",
"formula_reduced": "SrMnBiSbO6",
"formula_anonymous": "ABCDE6",
"energy": -68.9157149,
"energy_per_atom": -6.89157149,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -63.1257149,
"band_gap": 0.0019,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.9999043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:08.819000Z",
"spacegroup": 216
},
{
"id": "mp-1179087",
"created_at": "2022-09-04T14:40:44.008177Z",
"structure_string": "Te2 C4 N8 O16\n1.0\n4.063162 7.868178 0.000000\n-4.063162 7.868178 0.000000\n0.000000 6.005908 8.410950\nTe C N O\n2 4 8 16\ndirect\n0.397226 0.602774 0.750000 Te\n0.602774 0.397226 0.250000 Te\n0.888553 0.825914 0.006987 C\n0.174086 0.111447 0.493013 C\n0.111447 0.174086 0.993013 C\n0.825914 0.888553 0.506987 C\n0.721362 0.987407 0.013164 N\n0.012593 0.278638 0.486836 N\n0.278638 0.012593 0.986836 N\n0.987407 0.721362 0.513164 N\n0.025493 0.696424 0.067781 N\n0.303576 0.974507 0.432219 N\n0.974507 0.303576 0.932219 N\n0.696424 0.025493 0.567781 N\n0.175321 0.547211 0.033339 O\n0.452789 0.824679 0.466661 O\n0.824679 0.452789 0.966661 O\n0.547211 0.175321 0.533339 O\n0.167314 0.659956 0.730396 O\n0.340044 0.832686 0.769604 O\n0.832686 0.340044 0.269604 O\n0.659956 0.167314 0.230396 O\n0.465630 0.364788 0.737682 O\n0.635212 0.534370 0.762318 O\n0.534370 0.635212 0.262318 O\n0.364788 0.465630 0.237682 O\n0.806715 0.873657 0.900902 O\n0.126343 0.193285 0.599098 O\n0.193285 0.126343 0.099098 O\n0.873657 0.806715 0.400902 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Te",
"C",
"N",
"O"
],
"chemical_system": "C-N-O-Te",
"density": 2.0727352985700325,
"density_atomic": 0.05578377407625018,
"volume": 537.7907912611533,
"volume_molar": 10.795506148021477,
"formula_full": "Te2 C4 N8 O16",
"formula_reduced": "TeC2(NO2)4",
"formula_anonymous": "AB2C4D8",
"energy": -182.02413905,
"energy_per_atom": -6.067471301666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.03213905,
"band_gap": 0.2203999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0186729,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.777000Z",
"spacegroup": 15
},
{
"id": "mp-1221153",
"created_at": "2022-09-04T14:40:44.012430Z",
"structure_string": "Na8 Sr4 Si2 P8\n1.0\n8.060514 4.673939 0.000000\n-8.060514 4.673939 0.000000\n0.000000 0.070062 7.313103\nNa Sr Si P\n8 4 2 8\ndirect\n0.053205 0.526446 0.612715 Na\n0.526446 0.053205 0.112715 Na\n0.279751 0.136506 0.803949 Na\n0.866294 0.713638 0.782250 Na\n0.861977 0.151120 0.787935 Na\n0.713638 0.866294 0.282250 Na\n0.136506 0.279751 0.303949 Na\n0.151120 0.861977 0.287935 Na\n0.469730 0.948827 0.614077 Sr\n0.465968 0.521163 0.613754 Sr\n0.948827 0.469730 0.114077 Sr\n0.521163 0.465968 0.113754 Sr\n0.673347 0.337658 0.499110 Si\n0.337658 0.673347 0.999110 Si\n0.661725 0.336733 0.815752 P\n0.336733 0.661725 0.315752 P\n0.608138 0.802224 0.895900 P\n0.196456 0.394945 0.907621 P\n0.194197 0.799780 0.902954 P\n0.394945 0.196456 0.407621 P\n0.802224 0.608138 0.395900 P\n0.799780 0.194197 0.402954 P\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Na",
"Sr",
"Si",
"P"
],
"chemical_system": "Na-P-Si-Sr",
"density": 2.526398154895429,
"density_atomic": 0.03992502697628857,
"volume": 551.0328149074458,
"volume_molar": 15.083623521598476,
"formula_full": "Na8 Sr4 Si2 P8",
"formula_reduced": "Na4Sr2SiP4",
"formula_anonymous": "AB2C4D4",
"energy": -86.03905791,
"energy_per_atom": -3.9108662686363633,
"energy_above_hull": null,
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"energy_uncorrected": -86.03905791,
"band_gap": 0.9527,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.646000Z",
"spacegroup": 9
},
{
"id": "mp-4853",
"created_at": "2022-09-04T14:40:44.026440Z",
"structure_string": "Ca4 Si4 O12\n1.0\n-3.610988 3.610988 3.601935\n3.610988 -3.610988 3.601935\n3.610988 3.610988 -3.601935\nCa Si O\n4 4 12\ndirect\n0.000000 0.000000 0.000000 Ca\n0.500000 0.500000 0.000000 Ca\n0.500000 0.000000 0.500000 Ca\n0.000000 0.500000 0.500000 Ca\n0.000000 0.000000 0.500000 Si\n0.000000 0.500000 0.000000 Si\n0.500000 0.000000 0.000000 Si\n0.500000 0.500000 0.500000 Si\n0.239173 0.239173 0.478347 O\n0.239173 0.760826 0.000000 O\n0.760826 0.239173 0.000000 O\n0.760826 0.760826 0.521653 O\n0.989265 0.739064 0.250201 O\n0.739064 0.488863 0.749799 O\n0.739064 0.989265 0.250201 O\n0.488863 0.739064 0.749799 O\n0.260936 0.010735 0.749799 O\n0.511137 0.260936 0.250201 O\n0.010735 0.260936 0.749799 O\n0.260936 0.511137 0.250201 O\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Ca",
"Si",
"O"
],
"chemical_system": "Ca-O-Si",
"density": 4.106994251301068,
"density_atomic": 0.10645891671003872,
"volume": 187.86589811423534,
"volume_molar": 5.656774412238718,
"formula_full": "Ca4 Si4 O12",
"formula_reduced": "CaSiO3",
"formula_anonymous": "ABC3",
"energy": -153.18567583,
"energy_per_atom": -7.6592837915,
"energy_above_hull": null,
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"energy_uncorrected": -144.94167583,
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"updated_at": "2021-11-28T01:35:12.436000Z",
"spacegroup": 139
},
{
"id": "mp-1018077",
"created_at": "2022-09-04T14:40:44.082272Z",
"structure_string": "Er2 Ga2\n1.0\n2.140585 -5.390093 0.000000\n2.140585 5.390093 0.000000\n0.000000 0.000000 4.050501\nEr Ga\n2 2\ndirect\n0.860138 0.139862 0.250000 Er\n0.139862 0.860138 0.750000 Er\n0.576898 0.423102 0.250000 Ga\n0.423102 0.576898 0.750000 Ga\n",
"nsites": 4,
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"elements": [
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],
"chemical_system": "Er-Ga",
"density": 8.420288616587085,
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"volume": 93.46897404580936,
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"formula_full": "Er2 Ga2",
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"formula_anonymous": "AB",
"energy": -17.69911562,
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"updated_at": "2021-11-28T01:35:12.020000Z",
"spacegroup": 63
},
{
"id": "mp-776097",
"created_at": "2022-09-04T14:40:44.084727Z",
"structure_string": "Hf12 O24\n1.0\n4.870305 0.000000 0.000000\n0.000000 5.825942 0.000000\n0.000000 0.000000 16.036509\nHf O\n12 24\ndirect\n0.002773 0.346508 0.084101 Hf\n0.000000 0.022097 0.250000 Hf\n0.997227 0.346508 0.415899 Hf\n0.000000 0.977903 0.750000 Hf\n0.002773 0.653492 0.584101 Hf\n0.997227 0.653492 0.915899 Hf\n0.497227 0.153492 0.584101 Hf\n0.500000 0.522097 0.250000 Hf\n0.502773 0.153492 0.915899 Hf\n0.500000 0.477903 0.750000 Hf\n0.502773 0.846508 0.415899 Hf\n0.497227 0.846508 0.084101 Hf\n0.199867 0.631433 0.030756 O\n0.199867 0.368567 0.530756 O\n0.280561 0.190848 0.696221 O\n0.280561 0.809152 0.196221 O\n0.207423 0.067259 0.363291 O\n0.207423 0.932741 0.863291 O\n0.292577 0.567259 0.363291 O\n0.292577 0.432741 0.863291 O\n0.219439 0.309152 0.196221 O\n0.219439 0.690848 0.696221 O\n0.300133 0.131433 0.030756 O\n0.300133 0.868567 0.530756 O\n0.699867 0.868567 0.969244 O\n0.699867 0.131433 0.469244 O\n0.780561 0.309152 0.303779 O\n0.780561 0.690848 0.803779 O\n0.707423 0.432741 0.636709 O\n0.707423 0.567259 0.136709 O\n0.792577 0.932741 0.636709 O\n0.792577 0.067259 0.136709 O\n0.719439 0.190848 0.803779 O\n0.719439 0.809152 0.303779 O\n0.800133 0.368567 0.969244 O\n0.800133 0.631433 0.469244 O\n",
"nsites": 36,
"nelements": 2,
"elements": [
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],
"chemical_system": "Hf-O",
"density": 9.217798009738054,
"density_atomic": 0.07911709857874688,
"volume": 455.02174178149943,
"volume_molar": 7.611680494079341,
"formula_full": "Hf12 O24",
"formula_reduced": "HfO2",
"formula_anonymous": "AB2",
"energy": -381.94177607,
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"updated_at": "2021-11-28T01:35:08.369000Z",
"spacegroup": 60
},
{
"id": "mp-1233559",
"created_at": "2022-09-04T14:40:44.089961Z",
"structure_string": "Mg1 Cr1 F6\n1.0\n4.655221 0.099241 3.190170\n1.722815 4.354042 3.184668\n0.147785 0.097100 5.704857\nMg Cr F\n1 1 6\ndirect\n0.186745 0.186408 0.201099 Mg\n0.004358 0.998774 0.998044 Cr\n0.361655 0.080103 0.804153 F\n0.083136 0.811442 0.356773 F\n0.199811 0.611265 0.966116 F\n0.955682 0.208332 0.615292 F\n0.612788 0.961476 0.205749 F\n0.810111 0.356486 0.078964 F\n",
"nsites": 8,
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"elements": [
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"F"
],
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"density": 2.8277561927768904,
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"volume": 111.74460601709845,
"volume_molar": 8.411771832571374,
"formula_full": "Mg1 Cr1 F6",
"formula_reduced": "MgCrF6",
"formula_anonymous": "ABC6",
"energy": -46.92195186,
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"updated_at": "2021-11-28T01:35:07.723000Z",
"spacegroup": 1
},
{
"id": "mp-1177563",
"created_at": "2022-09-04T14:40:52.186159Z",
"structure_string": "Li12 Mn4 V4 P12 O48\n1.0\n8.656457 0.000000 0.000000\n-4.169100 -7.606313 0.000000\n-4.049927 2.043289 -14.429230\nLi Mn V P O\n12 4 4 12 48\ndirect\n0.755107 0.702276 0.315552 Li\n0.709609 0.815388 0.552178 Li\n0.717057 0.311495 0.051649 Li\n0.250995 0.826966 0.185220 Li\n0.679843 0.787803 0.830750 Li\n0.678835 0.290623 0.327722 Li\n0.222601 0.741515 0.633997 Li\n0.216312 0.228023 0.133125 Li\n0.744470 0.181147 0.816601 Li\n0.250188 0.320222 0.689745 Li\n0.181021 0.641935 0.978624 Li\n0.176057 0.134001 0.479691 Li\n0.859177 0.714836 0.073577 Mn\n0.355516 0.968882 0.819594 Mn\n0.856099 0.218459 0.572420 Mn\n0.136774 0.775241 0.423901 Mn\n0.643740 0.531181 0.681535 V\n0.353974 0.466776 0.319727 V\n0.639248 0.023674 0.179711 V\n0.140207 0.286440 0.923305 V\n0.950280 0.991948 0.733534 P\n0.948717 0.484518 0.233415 P\n0.255695 0.979415 0.021559 P\n0.531787 0.897287 0.375001 P\n0.454255 0.594962 0.123279 P\n0.754284 0.522542 0.476467 P\n0.255444 0.479556 0.524657 P\n0.538870 0.396795 0.875708 P\n0.456822 0.101035 0.627237 P\n0.758554 0.020682 0.979277 P\n0.044976 0.518945 0.764309 P\n0.041210 0.011187 0.265250 P\n0.839625 0.972405 0.241481 O\n0.917620 0.540058 0.133562 O\n0.923901 0.591653 0.303677 O\n0.670858 0.983141 0.470922 O\n0.920430 0.703763 0.468925 O\n0.648990 0.643956 0.123650 O\n0.441956 0.762828 0.145857 O\n0.542058 0.729640 0.349076 O\n0.791783 0.798759 0.726605 O\n0.791902 0.289521 0.223481 O\n0.102972 0.795459 0.036606 O\n0.330945 0.844814 0.369574 O\n0.061101 0.900262 0.194399 O\n0.296207 0.994147 0.539209 O\n0.812845 0.873461 0.996132 O\n0.697514 0.571131 0.555469 O\n0.299504 0.494359 0.031365 O\n0.427121 0.978087 0.705675 O\n0.612269 0.950644 0.882292 O\n0.805540 0.373684 0.491349 O\n0.691744 0.061971 0.055949 O\n0.081564 0.963723 0.365861 O\n0.411321 0.469154 0.198539 O\n0.601059 0.452991 0.380814 O\n0.845360 0.483710 0.739719 O\n0.142853 0.509305 0.261057 O\n0.418541 0.558728 0.615799 O\n0.418115 0.058289 0.113170 O\n0.906615 0.042997 0.633171 O\n0.589910 0.529843 0.804285 O\n0.305066 0.927904 0.939514 O\n0.193760 0.620924 0.509895 O\n0.575063 0.026641 0.301224 O\n0.307707 0.433134 0.443069 O\n0.193941 0.119435 0.005441 O\n0.937500 0.104924 0.807288 O\n0.677336 0.480668 0.972086 O\n0.923494 0.203131 0.975155 O\n0.650104 0.150069 0.624278 O\n0.187272 0.714336 0.761514 O\n0.180921 0.206473 0.263317 O\n0.447191 0.269370 0.650992 O\n0.547486 0.226396 0.851322 O\n0.100497 0.295106 0.537792 O\n0.338504 0.344871 0.867669 O\n0.063370 0.406229 0.693949 O\n0.086839 0.473620 0.864950 O\n0.141828 0.015534 0.753559 O\n",
"nsites": 80,
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"elements": [
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"Mn",
"V",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P-V",
"density": 2.877693114934326,
"density_atomic": 0.08420394951537419,
"volume": 950.0742003246936,
"volume_molar": 7.151850708499678,
"formula_full": "Li12 Mn4 V4 P12 O48",
"formula_reduced": "Li3MnV(PO4)3",
"formula_anonymous": "ABC3D3E12",
"energy": -607.83771223,
"energy_per_atom": -7.597971402874999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -561.38971223,
"band_gap": 0.5622000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 24.0050351,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.406000Z",
"spacegroup": 1
},
{
"id": "mp-998971",
"created_at": "2022-09-04T14:40:54.052377Z",
"structure_string": "Ti1 Fe1 Co1 Si1\n1.0\n0.000000 2.862195 2.862195\n2.862195 0.000000 2.862195\n2.862195 2.862195 0.000000\nTi Fe Co Si\n1 1 1 1\ndirect\n0.500000 0.500000 0.500000 Ti\n0.250000 0.250000 0.250000 Fe\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Si\n",
"nsites": 4,
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"elements": [
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"Co",
"Si"
],
"chemical_system": "Co-Fe-Si-Ti",
"density": 6.753704224267911,
"density_atomic": 0.08529672165039458,
"volume": 46.89512003046012,
"volume_molar": 7.060225344513158,
"formula_full": "Ti1 Fe1 Co1 Si1",
"formula_reduced": "TiFeCoSi",
"formula_anonymous": "ABCD",
"energy": -31.45076121,
"energy_per_atom": -7.8626903025,
"energy_above_hull": null,
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"formation_energy": null,
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"energy_uncorrected": -31.52176121,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 1.0028496,
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"updated_at": "2021-11-28T01:35:25.064000Z",
"spacegroup": 216
},
{
"id": "mp-1195080",
"created_at": "2022-09-04T14:40:52.170395Z",
"structure_string": "Rb4 V8 P4 O44\n1.0\n7.100541 0.000000 0.000000\n0.000000 10.804198 0.000000\n0.000000 0.000000 12.586901\nRb V P O\n4 8 4 44\ndirect\n0.732407 0.763181 0.207161 Rb\n0.767593 0.236819 0.707161 Rb\n0.232407 0.736819 0.792839 Rb\n0.267593 0.263181 0.292839 Rb\n0.781300 0.496755 0.410109 V\n0.718700 0.503245 0.910109 V\n0.281300 0.003245 0.589891 V\n0.218700 0.996755 0.089891 V\n0.980513 0.774579 0.504099 V\n0.519487 0.225421 0.004099 V\n0.480513 0.725421 0.495901 V\n0.019487 0.274579 0.995901 V\n0.760193 0.580914 0.646413 P\n0.739807 0.419086 0.146413 P\n0.260193 0.919086 0.353587 P\n0.239807 0.080914 0.853587 P\n0.074020 0.843394 0.368026 O\n0.425980 0.156606 0.868026 O\n0.574020 0.656606 0.631974 O\n0.925980 0.343394 0.131974 O\n0.553798 0.596911 0.423955 O\n0.946202 0.403089 0.923955 O\n0.053798 0.903089 0.576045 O\n0.446202 0.096911 0.076045 O\n0.864749 0.325190 0.406508 O\n0.635251 0.674810 0.906508 O\n0.364749 0.174810 0.593492 O\n0.135251 0.825190 0.093492 O\n0.749237 0.801012 0.481953 O\n0.750763 0.198988 0.981953 O\n0.249237 0.698988 0.518047 O\n0.250763 0.301012 0.018047 O\n0.931509 0.670067 0.630335 O\n0.568491 0.329933 0.130335 O\n0.431509 0.829933 0.369665 O\n0.068491 0.170067 0.869665 O\n0.728671 0.480179 0.255876 O\n0.771329 0.519821 0.755876 O\n0.228671 0.019821 0.744124 O\n0.271329 0.980179 0.244124 O\n0.748536 0.072316 0.285018 O\n0.751464 0.927684 0.785018 O\n0.248536 0.427684 0.714982 O\n0.251464 0.572316 0.214982 O\n0.677427 0.309758 0.417388 O\n0.822573 0.690242 0.917388 O\n0.177427 0.190242 0.582612 O\n0.322573 0.809758 0.082612 O\n0.756934 0.062277 0.382461 O\n0.743066 0.937723 0.882461 O\n0.256934 0.437723 0.617539 O\n0.243066 0.562277 0.117539 O\n0.770057 0.472958 0.565838 O\n0.729943 0.527042 0.065838 O\n0.270057 0.027042 0.434162 O\n0.229943 0.972958 0.934162 O\n0.948968 0.608565 0.412912 O\n0.551032 0.391435 0.912912 O\n0.448968 0.891435 0.587088 O\n0.051032 0.108565 0.087088 O\n",
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"elements": [
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],
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"formula_full": "Rb4 V8 P4 O44",
"formula_reduced": "RbV2PO11",
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"energy": -414.50926536,
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"updated_at": "2021-11-28T01:34:57.639000Z",
"spacegroup": 19
}
]
}