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{
"count": 146323,
"next": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10237",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_reduced&page=10235",
"results": [
{
"id": "mp-1375395",
"created_at": "2022-09-04T14:46:32.801441Z",
"structure_string": "Sr2 Mg2 V2 P4 O16\n1.0\n5.561956 0.000000 0.000000\n-0.976194 6.937153 0.000000\n-1.831426 -3.730746 8.525323\nSr Mg V P O\n2 2 2 4 16\ndirect\n0.200482 0.753060 0.047934 Sr\n0.799518 0.246940 0.952066 Sr\n0.336771 0.729818 0.652852 Mg\n0.663229 0.270182 0.347148 Mg\n0.081140 0.290289 0.561633 V\n0.918860 0.709711 0.438367 V\n0.157722 0.189766 0.234141 P\n0.842278 0.810234 0.765859 P\n0.538541 0.721709 0.302334 P\n0.461459 0.278291 0.697666 P\n0.928390 0.661076 0.888357 O\n0.447960 0.262285 0.211810 O\n0.895844 0.029440 0.771363 O\n0.263654 0.421022 0.698987 O\n0.552040 0.737715 0.788190 O\n0.429212 0.176342 0.574740 O\n0.570788 0.823658 0.425260 O\n0.395364 0.128874 0.863757 O\n0.104156 0.970560 0.228637 O\n0.604636 0.871126 0.136243 O\n0.071610 0.338924 0.111643 O\n0.973714 0.189562 0.394607 O\n0.026286 0.810438 0.605393 O\n0.255925 0.586759 0.365942 O\n0.736346 0.578978 0.301013 O\n0.744075 0.413241 0.634058 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"V",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sr-V",
"density": 3.562044658500135,
"density_atomic": 0.07904122890675641,
"volume": 328.9422540566994,
"volume_molar": 7.618986753235096,
"formula_full": "Sr2 Mg2 V2 P4 O16",
"formula_reduced": "SrMgV(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -112.10340284,
"energy_per_atom": -4.31166934,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -97.71140284,
"band_gap": 0.0,
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"is_magnetic": false,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:37:31.318000Z",
"spacegroup": 2
},
{
"id": "mp-1272521",
"created_at": "2022-09-04T14:42:04.603120Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n-4.032938 3.814798 0.000012\n4.143007 3.922808 0.000032\n0.055026 3.868782 -3.869255\nSr Mn Bi O\n1 2 1 6\ndirect\n0.026408 0.026422 0.947177 Sr\n0.787512 0.287496 0.424999 Mn\n0.284899 0.784906 0.430197 Mn\n0.481665 0.481699 0.036603 Bi\n0.040717 0.540691 0.918615 O\n0.542782 0.042772 0.914449 O\n0.552679 0.521156 0.396791 O\n0.050517 0.082051 0.396791 O\n0.065547 0.538392 0.392781 O\n0.541704 0.068844 0.392736 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.818658749663496,
"density_atomic": 0.08172166820595961,
"volume": 122.36656714835323,
"volume_molar": 7.3690869168537505,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -74.7717881,
"energy_per_atom": -7.47717881,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -67.3137881,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.0000072,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:32.220000Z",
"spacegroup": 5
},
{
"id": "mp-1279155",
"created_at": "2022-09-04T14:48:22.299048Z",
"structure_string": "Sr2 Mn4 Bi2 O12\n1.0\n4.064403 3.981141 0.023639\n-3.960612 7.831806 -3.885321\n-4.001150 -0.033703 3.856585\nSr Mn Bi O\n2 4 2 12\ndirect\n0.016531 0.988781 0.041523 Sr\n0.040814 0.484283 0.547768 Sr\n0.775426 0.856682 0.425368 Mn\n0.304588 0.609788 0.186620 Mn\n0.782462 0.355180 0.929958 Mn\n0.280374 0.107918 0.682947 Mn\n0.456575 0.769164 0.750484 Bi\n0.458592 0.270570 0.248705 Bi\n0.484793 0.957340 0.031364 O\n0.515624 0.457843 0.541743 O\n0.101885 0.743164 0.829755 O\n0.088710 0.242836 0.323474 O\n0.510248 0.970050 0.574216 O\n0.556346 0.465987 0.076626 O\n0.083809 0.730180 0.317549 O\n0.059285 0.232285 0.826797 O\n0.595554 0.706634 0.375205 O\n0.551338 0.209332 0.856683 O\n0.014661 0.982931 0.518822 O\n0.071241 0.484620 0.037681 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.792585444576254,
"density_atomic": 0.08140917947971597,
"volume": 245.6725412025953,
"volume_molar": 7.3973731199446435,
"formula_full": "Sr2 Mn4 Bi2 O12",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -150.09763438,
"energy_per_atom": -7.504881718999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
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"energy_uncorrected": -135.18163438,
"band_gap": 0.8914,
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"is_magnetic": true,
"total_magnetization": 14.0016913,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:08.679000Z",
"spacegroup": 1
},
{
"id": "mp-1218247",
"created_at": "2022-09-04T14:48:31.419663Z",
"structure_string": "Sr1 Mn2 Bi1 O6\n1.0\n0.000094 3.926401 3.975597\n3.923082 -0.000001 -3.975503\n-0.000097 3.926401 -3.975597\nSr Mn Bi O\n1 2 1 6\ndirect\n0.026647 0.000000 0.973353 Sr\n0.784635 0.500004 0.715365 Mn\n0.284636 0.500004 0.215364 Mn\n0.482242 0.000002 0.517758 Bi\n0.541470 0.999993 0.934346 O\n0.065654 0.999994 0.458530 O\n0.541446 0.475823 0.458554 O\n0.065623 0.524175 0.934377 O\n0.541037 0.500003 0.958961 O\n0.041039 0.500003 0.458962 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"Bi",
"O"
],
"chemical_system": "Bi-Mn-O-Sr",
"density": 6.812347189880811,
"density_atomic": 0.08164602412207755,
"volume": 122.47993833781726,
"volume_molar": 7.375914289464559,
"formula_full": "Sr1 Mn2 Bi1 O6",
"formula_reduced": "SrMn2BiO6",
"formula_anonymous": "ABC2D6",
"energy": -74.99299844,
"energy_per_atom": -7.499299843999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -67.53499844,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.000324,
"is_theoretical": true,
"updated_at": "2021-11-28T01:40:01.904000Z",
"spacegroup": 107
},
{
"id": "mp-1203901",
"created_at": "2022-09-04T14:42:19.657228Z",
"structure_string": "Sr4 Mn8 O44\n1.0\n9.695726 0.000000 0.000000\n0.000000 9.695726 0.000000\n0.000000 0.000000 9.695726\nSr Mn O\n4 8 44\ndirect\n0.232872 0.732872 0.767128 Sr\n0.732872 0.767128 0.232872 Sr\n0.767128 0.232872 0.732872 Sr\n0.267128 0.267128 0.267128 Sr\n0.485958 0.985958 0.514042 Mn\n0.985958 0.514042 0.485958 Mn\n0.514042 0.485958 0.985958 Mn\n0.014042 0.014042 0.014042 Mn\n0.949987 0.449987 0.050013 Mn\n0.449987 0.050013 0.949987 Mn\n0.050013 0.949987 0.449987 Mn\n0.550013 0.550013 0.550013 Mn\n0.389842 0.889842 0.610158 O\n0.889842 0.610158 0.389842 O\n0.610158 0.389842 0.889842 O\n0.110158 0.110158 0.110158 O\n0.855264 0.355264 0.144736 O\n0.355264 0.144736 0.855264 O\n0.144736 0.855264 0.355264 O\n0.644736 0.644736 0.644736 O\n0.916238 0.919374 0.110759 O\n0.889241 0.416238 0.580626 O\n0.419374 0.389241 0.083762 O\n0.416238 0.580626 0.889241 O\n0.389241 0.083762 0.419374 O\n0.919374 0.110759 0.916238 O\n0.083762 0.419374 0.389241 O\n0.110759 0.916238 0.919374 O\n0.580626 0.889241 0.416238 O\n0.583762 0.080626 0.610759 O\n0.610759 0.583762 0.080626 O\n0.080626 0.610759 0.583762 O\n0.886391 0.917384 0.421988 O\n0.578012 0.386391 0.582616 O\n0.417384 0.078012 0.113609 O\n0.386391 0.582616 0.578012 O\n0.078012 0.113609 0.417384 O\n0.917384 0.421988 0.886391 O\n0.113609 0.417384 0.078012 O\n0.421988 0.886391 0.917384 O\n0.582616 0.578012 0.386391 O\n0.613609 0.082616 0.921988 O\n0.921988 0.613609 0.082616 O\n0.082616 0.921988 0.613609 O\n0.670133 0.846852 0.978149 O\n0.021851 0.170133 0.653148 O\n0.346852 0.521851 0.329867 O\n0.170133 0.653148 0.021851 O\n0.521851 0.329867 0.346852 O\n0.846852 0.978149 0.670133 O\n0.329867 0.346852 0.521851 O\n0.978149 0.670133 0.846852 O\n0.653148 0.021851 0.170133 O\n0.829867 0.153148 0.478149 O\n0.478149 0.829867 0.153148 O\n0.153148 0.478149 0.829867 O\n",
"nsites": 56,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 2.7217389750478715,
"density_atomic": 0.061439408416908745,
"volume": 911.4671095138383,
"volume_molar": 9.801755770719051,
"formula_full": "Sr4 Mn8 O44",
"formula_reduced": "SrMn2O11",
"formula_anonymous": "AB2C11",
"energy": -341.50088449,
"energy_per_atom": -6.098230080178571,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -297.92888449,
"band_gap": 0.4249,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 23.9991363,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:47.251000Z",
"spacegroup": 198
},
{
"id": "mp-1208638",
"created_at": "2022-09-04T14:42:07.510330Z",
"structure_string": "Sr1 Mn2 O6\n1.0\n-2.503693 -4.336522 0.000000\n-2.503693 4.336522 0.000000\n0.000000 0.000000 -5.434294\nSr Mn O\n1 2 6\ndirect\n0.000000 0.000000 0.000000 Sr\n0.666667 0.333333 0.500000 Mn\n0.333333 0.666667 0.500000 Mn\n0.566298 0.566298 0.719298 O\n0.000000 0.433702 0.719298 O\n0.566298 0.566298 0.280702 O\n0.000000 0.433702 0.280702 O\n0.433702 0.000000 0.719298 O\n0.433702 0.000000 0.280702 O\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"O"
],
"chemical_system": "Mn-O-Sr",
"density": 4.130002695557706,
"density_atomic": 0.07626877206425514,
"volume": 118.00373542683569,
"volume_molar": 7.895945610513369,
"formula_full": "Sr1 Mn2 O6",
"formula_reduced": "SrMn2O6",
"formula_anonymous": "AB2C6",
"energy": -65.8366879,
"energy_per_atom": -7.315187544444445,
"energy_above_hull": null,
"is_stable": null,
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"energy_uncorrected": -58.3786879,
"band_gap": 0.4721999999999999,
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"is_magnetic": true,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:44.341000Z",
"spacegroup": 189
},
{
"id": "mp-541990",
"created_at": "2022-09-04T14:42:23.916299Z",
"structure_string": "Sr4 Mn8 P8 O32\n1.0\n8.979174 0.000000 0.000000\n0.051420 9.209364 0.000000\n0.103986 3.295165 8.612522\nSr Mn P O\n4 8 8 32\ndirect\n0.256763 0.797808 0.191511 Sr\n0.743237 0.202192 0.808489 Sr\n0.249618 0.388208 0.609134 Sr\n0.750382 0.611792 0.390866 Sr\n0.071463 0.992591 0.752155 Mn\n0.928537 0.007409 0.247845 Mn\n0.238344 0.626671 0.876538 Mn\n0.761656 0.373329 0.123462 Mn\n0.610120 0.745159 0.982692 Mn\n0.389880 0.254841 0.017308 Mn\n0.716057 0.894017 0.610855 Mn\n0.283943 0.105983 0.389145 Mn\n0.070718 0.780849 0.530294 P\n0.929282 0.219151 0.469706 P\n0.061637 0.255037 0.946072 P\n0.938363 0.744963 0.053928 P\n0.426563 0.468806 0.224856 P\n0.573437 0.531194 0.775144 P\n0.419490 0.044488 0.766014 P\n0.580510 0.955512 0.233986 P\n0.108519 0.623956 0.521121 O\n0.891481 0.376044 0.478879 O\n0.901198 0.820403 0.496527 O\n0.098802 0.179597 0.503473 O\n0.112204 0.791895 0.689540 O\n0.887796 0.208105 0.310460 O\n0.844439 0.088551 0.604224 O\n0.155561 0.911449 0.395776 O\n0.092048 0.679890 0.032321 O\n0.907952 0.320110 0.967679 O\n0.109826 0.115249 0.090631 O\n0.890174 0.884751 0.909369 O\n0.048852 0.204101 0.802351 O\n0.951148 0.795899 0.197649 O\n0.186738 0.381236 0.907716 O\n0.813262 0.618764 0.092284 O\n0.352899 0.524697 0.346870 O\n0.647101 0.475303 0.653130 O\n0.406419 0.566608 0.740141 O\n0.593581 0.433392 0.259859 O\n0.654959 0.676872 0.784325 O\n0.345041 0.323128 0.215675 O\n0.409426 0.604620 0.061088 O\n0.590574 0.395380 0.938912 O\n0.387997 0.109516 0.590487 O\n0.612003 0.890484 0.409513 O\n0.576379 0.963599 0.794141 O\n0.423621 0.036401 0.205859 O\n0.296808 0.930592 0.860781 O\n0.703192 0.069408 0.139219 O\n0.568732 0.813488 0.179632 O\n0.431268 0.186512 0.820368 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Sr",
"Mn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr",
"density": 3.613398374436217,
"density_atomic": 0.07301413980796723,
"volume": 712.1908186108058,
"volume_molar": 8.247910303180577,
"formula_full": "Sr4 Mn8 P8 O32",
"formula_reduced": "SrMn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -428.21286881,
"energy_per_atom": -8.234862861730768,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -392.88486881,
"band_gap": 3.3013000000000003,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 40.0005937,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:43.846000Z",
"spacegroup": 2
},
{
"id": "mp-631376",
"created_at": "2022-09-04T14:46:36.191242Z",
"structure_string": "Sr1 Mn2 Si1\n1.0\n0.000000 3.434425 3.434425\n3.434425 0.000000 3.434425\n3.434425 3.434425 0.000000\nSr Mn Si\n1 2 1\ndirect\n0.250000 0.250000 0.250000 Sr\n0.000000 0.000000 0.000000 Mn\n0.750000 0.750000 0.750000 Mn\n0.500000 0.500000 0.500000 Si\n",
"nsites": 4,
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"elements": [
"Sr",
"Mn",
"Si"
],
"chemical_system": "Mn-Si-Sr",
"density": 4.623391229168517,
"density_atomic": 0.04937054088540482,
"volume": 81.01997523755104,
"volume_molar": 12.19784238130617,
"formula_full": "Sr1 Mn2 Si1",
"formula_reduced": "SrMn2Si",
"formula_anonymous": "ABC2",
"energy": -23.32531069,
"energy_per_atom": -5.8313276725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
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"energy_uncorrected": -23.39631069,
"band_gap": 0.0,
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"is_magnetic": true,
"total_magnetization": 0.6068532,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:43.107000Z",
"spacegroup": 216
},
{
"id": "mp-1218288",
"created_at": "2022-09-04T14:45:42.522725Z",
"structure_string": "Sr2 Mn4 Si4 H8 O20\n1.0\n-3.194070 -4.651098 0.000000\n-3.103741 4.587982 0.000000\n0.000000 0.000000 -13.571607\nSr Mn Si H O\n2 4 4 8 20\ndirect\n0.683320 0.303860 0.750000 Sr\n0.316680 0.696140 0.250000 Sr\n0.000000 0.500000 0.500000 Mn\n0.500000 0.000000 0.500000 Mn\n0.000000 0.500000 0.000000 Mn\n0.500000 0.000000 0.000000 Mn\n0.029838 0.976013 0.631862 Si\n0.970162 0.023987 0.368138 Si\n0.029838 0.976013 0.868138 Si\n0.970162 0.023987 0.131862 Si\n0.354165 0.645841 0.689363 H\n0.645835 0.354159 0.310637 H\n0.354165 0.645841 0.810637 H\n0.645835 0.354159 0.189363 H\n0.461448 0.530989 0.558289 H\n0.538552 0.469011 0.441711 H\n0.461448 0.530989 0.941711 H\n0.538552 0.469011 0.058289 H\n0.992517 0.029836 0.750000 O\n0.007483 0.970164 0.250000 O\n0.358351 0.639957 0.554512 O\n0.641649 0.360043 0.445488 O\n0.358351 0.639957 0.945488 O\n0.641649 0.360043 0.054512 O\n0.907926 0.659061 0.614295 O\n0.659625 0.898470 0.388203 O\n0.907926 0.659061 0.885705 O\n0.659625 0.898470 0.111797 O\n0.092074 0.340939 0.385705 O\n0.340375 0.101530 0.611797 O\n0.092074 0.340939 0.114295 O\n0.340375 0.101530 0.888203 O\n0.869134 0.130984 0.577490 O\n0.130866 0.869016 0.422510 O\n0.869134 0.130984 0.922510 O\n0.130866 0.869016 0.077490 O\n0.439760 0.621055 0.750000 O\n0.560240 0.378945 0.250000 O\n",
"nsites": 38,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Si",
"H",
"O"
],
"chemical_system": "H-Mn-O-Si-Sr",
"density": 3.5136545375849075,
"density_atomic": 0.09625128179200722,
"volume": 394.79993712827155,
"volume_molar": 6.256686298488425,
"formula_full": "Sr2 Mn4 Si4 H8 O20",
"formula_reduced": "SrMn2Si2(H2O5)2",
"formula_anonymous": "AB2C2D4E10",
"energy": -276.69772474,
"energy_per_atom": -7.281519072105263,
"energy_above_hull": null,
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"energy_uncorrected": -256.28572474,
"band_gap": 0.8719999999999999,
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{
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{
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"elements": [
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],
"chemical_system": "Mn-O-Si-Sr",
"density": 3.6437242937621264,
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"volume": 377.03203914372864,
"volume_molar": 7.568466702511213,
"formula_full": "Sr2 Mn4 Si4 O20",
"formula_reduced": "SrMn2(SiO5)2",
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"energy": -230.06672189,
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"updated_at": "2021-11-28T01:36:09.403000Z",
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},
{
"id": "mp-1194563",
"created_at": "2022-09-04T14:45:18.287258Z",
"structure_string": "Sr4 Mn8 V8 O32\n1.0\n-6.322698 6.322698 4.412712\n6.322698 -6.322698 4.412712\n6.322698 6.322698 -4.412712\nSr Mn V O\n4 8 8 32\ndirect\n0.246310 0.246310 0.000000 Sr\n0.746310 0.746310 0.000000 Sr\n0.496310 0.996310 0.500000 Sr\n0.996310 0.496310 0.500000 Sr\n0.706700 0.371253 0.996939 Mn\n0.206700 0.209761 0.335447 Mn\n0.621253 0.124314 0.164553 Mn\n0.459761 0.624314 0.503061 Mn\n0.374314 0.709761 0.003061 Mn\n0.874314 0.871253 0.664553 Mn\n0.959761 0.456700 0.835447 Mn\n0.121253 0.956700 0.496939 Mn\n0.093228 0.436313 0.185201 V\n0.593228 0.408027 0.656915 V\n0.686313 0.001113 0.843085 V\n0.658027 0.501113 0.314799 V\n0.251113 0.908027 0.814799 V\n0.751113 0.936313 0.343085 V\n0.158027 0.843228 0.156915 V\n0.186313 0.343228 0.685201 V\n0.759926 0.397652 0.643525 O\n0.259926 0.616401 0.362274 O\n0.647652 0.504127 0.137726 O\n0.866401 0.004127 0.856475 O\n0.754127 0.116401 0.356475 O\n0.254127 0.897652 0.637726 O\n0.366401 0.509926 0.862274 O\n0.147652 0.009926 0.143525 O\n0.118837 0.129855 0.675218 O\n0.618837 0.943618 0.988982 O\n0.379855 0.204636 0.511018 O\n0.193618 0.704636 0.824782 O\n0.454636 0.443618 0.324782 O\n0.954636 0.629855 0.011018 O\n0.693618 0.868837 0.488982 O\n0.879855 0.368837 0.175218 O\n0.863471 0.704001 0.466121 O\n0.363471 0.897350 0.159470 O\n0.954001 0.987880 0.340530 O\n0.147350 0.487880 0.033879 O\n0.237880 0.397350 0.533879 O\n0.737880 0.204001 0.840530 O\n0.647350 0.613471 0.659470 O\n0.454001 0.113471 0.966121 O\n0.580696 0.404394 0.826430 O\n0.080696 0.254266 0.176302 O\n0.654394 0.327964 0.323698 O\n0.504266 0.827964 0.673570 O\n0.577964 0.754266 0.173570 O\n0.077964 0.904394 0.823698 O\n0.004266 0.330696 0.676302 O\n0.154394 0.830696 0.326430 O\n",
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],
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"formula_full": "Sr4 Mn8 V8 O32",
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"updated_at": "2021-11-28T01:36:59.921000Z",
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}
]
}