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=total_magnetization&page=10376",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=total_magnetization&page=10374",
"results": [
{
"id": "mp-1175557",
"created_at": "2022-09-04T14:40:03.684473Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.909978 0.000000 0.000000\n-1.664128 -6.228943 0.000000\n-1.876381 0.306047 -7.659391\nLi Mn Co O\n9 2 5 16\ndirect\n0.119819 0.621346 0.880248 Li\n0.747822 0.252679 0.756411 Li\n0.999754 0.499947 0.501448 Li\n0.622039 0.122381 0.377254 Li\n0.872411 0.384120 0.113648 Li\n0.501857 0.998238 0.995539 Li\n0.384089 0.873896 0.630236 Li\n0.250097 0.749624 0.246390 Li\n0.626686 0.624027 0.876381 Li\n0.995038 0.996457 0.998116 Mn\n0.498050 0.500440 0.503220 Mn\n0.252769 0.253388 0.752864 Co\n0.866540 0.874900 0.631432 Co\n0.126440 0.124962 0.374060 Co\n0.752913 0.746145 0.244296 Co\n0.380283 0.375071 0.120152 Co\n0.943353 0.705803 0.061038 O\n0.538662 0.309927 0.927111 O\n0.805561 0.575210 0.669725 O\n0.431127 0.197248 0.550792 O\n0.665661 0.449277 0.316962 O\n0.303949 0.077292 0.175456 O\n0.160606 0.948275 0.819160 O\n0.047742 0.829065 0.423215 O\n0.326432 0.543697 0.672507 O\n0.953598 0.172111 0.573643 O\n0.194584 0.422384 0.325120 O\n0.834983 0.049482 0.180794 O\n0.071828 0.305257 0.948431 O\n0.704242 0.942032 0.823006 O\n0.570185 0.801703 0.449155 O\n0.450886 0.673613 0.082185 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.257883883652637,
"density_atomic": 0.113489456770394,
"volume": 281.9645182084248,
"volume_molar": 5.306343806177241,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -209.048157,
"energy_per_atom": -6.53275490625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -186.530157,
"band_gap": 0.5536000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989495,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.240000Z",
"spacegroup": 1
},
{
"id": "mp-766421",
"created_at": "2022-09-04T14:41:17.431596Z",
"structure_string": "Li12 Cr4 P8 O32\n1.0\n-8.116141 0.000000 0.000000\n2.552827 8.072010 0.000000\n-0.005422 -0.044977 -10.311943\nLi Cr P O\n12 4 8 32\ndirect\n0.347857 0.842080 0.148242 Li\n0.536595 0.770266 0.429862 Li\n0.458978 0.730853 0.915805 Li\n0.654749 0.669167 0.656684 Li\n0.616816 0.607031 0.167461 Li\n0.384659 0.402414 0.838499 Li\n0.358556 0.325190 0.341623 Li\n0.818907 0.346917 0.153546 Li\n0.159352 0.132728 0.661855 Li\n0.475882 0.220678 0.583349 Li\n0.636087 0.167567 0.851192 Li\n0.604934 0.097140 0.336104 Li\n0.875393 0.877248 0.855229 Cr\n0.124013 0.622855 0.357792 Cr\n0.885212 0.377396 0.653051 Cr\n0.122950 0.132508 0.147112 Cr\n0.217579 0.949199 0.411584 P\n0.724260 0.975556 0.086391 P\n0.283743 0.511516 0.579332 P\n0.212572 0.454965 0.090957 P\n0.787896 0.555270 0.913898 P\n0.715583 0.475724 0.415193 P\n0.285864 0.024813 0.906802 P\n0.778353 0.053518 0.592364 P\n0.250051 0.004001 0.058470 O\n0.342589 0.856688 0.349365 O\n0.044027 0.804880 0.415861 O\n0.705218 0.987119 0.461730 O\n0.353039 0.886094 0.864384 O\n0.902012 0.953866 0.123838 O\n0.790634 0.909801 0.680397 O\n0.578429 0.809830 0.104561 O\n0.434654 0.669279 0.595708 O\n0.195825 0.600399 0.177948 O\n0.110864 0.539105 0.625158 O\n0.645593 0.607043 0.355839 O\n0.285982 0.521244 0.960601 O\n0.961074 0.699298 0.908738 O\n0.657945 0.639718 0.849665 O\n0.253572 0.474682 0.428116 O\n0.757227 0.512898 0.564346 O\n0.322853 0.356522 0.159795 O\n0.032909 0.315321 0.083918 O\n0.732880 0.494503 0.049969 O\n0.321357 0.364366 0.648870 O\n0.883635 0.463340 0.345270 O\n0.802586 0.408707 0.827928 O\n0.578668 0.302214 0.405438 O\n0.412628 0.196465 0.877340 O\n0.203058 0.088148 0.318124 O\n0.110368 0.029300 0.839515 O\n0.682903 0.115688 0.160261 O\n0.279533 0.028707 0.541381 O\n0.961836 0.187926 0.587447 O\n0.675544 0.163539 0.658959 O\n0.739972 0.012815 0.935087 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 2.5834471311615212,
"density_atomic": 0.08289269291017354,
"volume": 675.5722131103191,
"volume_molar": 7.264983858741177,
"formula_full": "Li12 Cr4 P8 O32",
"formula_reduced": "Li3Cr(PO4)2",
"formula_anonymous": "AB2C3D8",
"energy": -409.57007384,
"energy_per_atom": -7.313751318571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -379.59007384,
"band_gap": 1.748,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989557,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.314000Z",
"spacegroup": 1
},
{
"id": "mp-1043246",
"created_at": "2022-09-04T14:39:06.009588Z",
"structure_string": "Mn4 Zn2 O10\n1.0\n1.839563 -4.847768 0.000000\n1.839563 4.847768 0.000000\n0.000000 0.000000 11.645003\nMn Zn O\n4 2 10\ndirect\n0.780907 0.219093 0.598379 Mn\n0.219093 0.780907 0.401621 Mn\n0.219093 0.780907 0.098379 Mn\n0.780907 0.219093 0.901621 Mn\n0.081995 0.918005 0.750000 Zn\n0.918005 0.081995 0.250000 Zn\n0.302314 0.697686 0.250000 O\n0.697686 0.302314 0.750000 O\n0.764876 0.235124 0.074924 O\n0.235124 0.764876 0.925076 O\n0.235124 0.764876 0.574924 O\n0.764876 0.235124 0.425076 O\n0.958754 0.041246 0.618320 O\n0.041246 0.958754 0.381680 O\n0.958754 0.041246 0.881680 O\n0.041246 0.958754 0.118320 O\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mn",
"Zn",
"O"
],
"chemical_system": "Mn-O-Zn",
"density": 4.082003249265228,
"density_atomic": 0.07703602914986389,
"volume": 207.69502499764124,
"volume_molar": 7.817304223046963,
"formula_full": "Mn4 Zn2 O10",
"formula_reduced": "Mn2ZnO5",
"formula_anonymous": "AB2C5",
"energy": -113.20349465,
"energy_per_atom": -7.075218415625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -99.66149465,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989569,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.609000Z",
"spacegroup": 63
},
{
"id": "mp-30006",
"created_at": "2022-09-04T14:40:17.647112Z",
"structure_string": "Co4 N8 O24\n1.0\n7.541777 -0.009865 -0.017834\n-0.018846 7.547308 -0.021563\n-0.009053 -0.012705 7.534959\nCo N O\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.500000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.336534 0.336577 0.336619 N\n0.841943 0.158846 0.651315 N\n0.158575 0.651164 0.842131 N\n0.651195 0.841942 0.158439 N\n0.158057 0.841154 0.348685 N\n0.663466 0.663423 0.663381 N\n0.348805 0.158058 0.841561 N\n0.841425 0.348836 0.157869 N\n0.983943 0.245837 0.628344 O\n0.016057 0.754163 0.371656 O\n0.628308 0.983874 0.245900 O\n0.245907 0.628257 0.984043 O\n0.333664 0.220496 0.456748 O\n0.456728 0.333739 0.220360 O\n0.220384 0.456666 0.333760 O\n0.666336 0.779504 0.543252 O\n0.543272 0.666261 0.779640 O\n0.779616 0.543334 0.666240 O\n0.716007 0.173402 0.540709 O\n0.540588 0.716110 0.173246 O\n0.173301 0.540809 0.715831 O\n0.283993 0.826598 0.459291 O\n0.459412 0.283890 0.826754 O\n0.826699 0.459191 0.284169 O\n0.173948 0.943931 0.217353 O\n0.217294 0.174340 0.943844 O\n0.944446 0.217859 0.173239 O\n0.826052 0.056069 0.782647 O\n0.782706 0.825660 0.056156 O\n0.055554 0.782141 0.826761 O\n0.371692 0.016126 0.754100 O\n0.754093 0.371743 0.015957 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Co",
"N",
"O"
],
"chemical_system": "Co-N-O",
"density": 2.8332374290713913,
"density_atomic": 0.08393838282377675,
"volume": 428.8860326935258,
"volume_molar": 7.174477941328817,
"formula_full": "Co4 N8 O24",
"formula_reduced": "Co(NO3)2",
"formula_anonymous": "AB2C6",
"energy": -247.15075608,
"energy_per_atom": -6.86529878,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.11075608,
"band_gap": 1.7064,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.998962,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.924000Z",
"spacegroup": 148
},
{
"id": "mp-1214777",
"created_at": "2022-09-04T14:44:19.161528Z",
"structure_string": "Ba4 Mn2 Al4 Co2 F28\n1.0\n2.632769 6.919957 0.000000\n-2.632769 6.919957 0.000000\n0.000000 0.381601 14.613166\nBa Mn Al Co F\n4 2 4 2 28\ndirect\n0.642946 0.735091 0.879563 Ba\n0.357054 0.264909 0.120437 Ba\n0.264909 0.357054 0.620437 Ba\n0.735091 0.642946 0.379563 Ba\n0.943092 0.056908 0.750000 Mn\n0.056908 0.943092 0.250000 Mn\n0.616380 0.619309 0.624357 Al\n0.383620 0.380691 0.375643 Al\n0.380691 0.383620 0.875643 Al\n0.619309 0.616380 0.124357 Al\n0.000000 0.000000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.340373 0.894902 0.700220 F\n0.659627 0.105098 0.299780 F\n0.105098 0.659627 0.799780 F\n0.894902 0.340373 0.200220 F\n0.658642 0.093906 0.952365 F\n0.341358 0.906094 0.047635 F\n0.906094 0.341358 0.547635 F\n0.093906 0.658642 0.452365 F\n0.395455 0.765451 0.524029 F\n0.604545 0.234549 0.475971 F\n0.234549 0.604545 0.975971 F\n0.765451 0.395455 0.024029 F\n0.541100 0.134956 0.782125 F\n0.458900 0.865044 0.217875 F\n0.865044 0.458900 0.717875 F\n0.134956 0.541100 0.282125 F\n0.585310 0.408905 0.657792 F\n0.414690 0.591095 0.342208 F\n0.591095 0.414690 0.842208 F\n0.408905 0.585310 0.157792 F\n0.881734 0.998308 0.124378 F\n0.118266 0.001692 0.875622 F\n0.001692 0.118266 0.375622 F\n0.998308 0.881734 0.624378 F\n0.681359 0.801518 0.587948 F\n0.318641 0.198482 0.412052 F\n0.198482 0.318641 0.912052 F\n0.801518 0.681359 0.087948 F\n",
"nsites": 40,
"nelements": 5,
"elements": [
"Ba",
"Mn",
"Al",
"Co",
"F"
],
"chemical_system": "Al-Ba-Co-F-Mn",
"density": 4.418833296803697,
"density_atomic": 0.07512241249360929,
"volume": 532.4642629575138,
"volume_molar": 8.016436852999506,
"formula_full": "Ba4 Mn2 Al4 Co2 F28",
"formula_reduced": "Ba2MnAl2CoF14",
"formula_anonymous": "ABC2D2E14",
"energy": -251.81800298,
"energy_per_atom": -6.2954500745,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.27000298,
"band_gap": 2.9723,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989662,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:35.206000Z",
"spacegroup": 15
},
{
"id": "mp-551131",
"created_at": "2022-09-04T14:43:55.910993Z",
"structure_string": "Co4 As2 Cl2 O8\n1.0\n6.712632 0.000000 0.000000\n0.000000 4.994588 0.000000\n0.000000 0.181524 6.957222\nCo As Cl O\n4 2 2 8\ndirect\n0.000000 0.000000 0.000000 Co\n0.250000 0.349684 0.730919 Co\n0.500000 0.000000 0.000000 Co\n0.750000 0.650316 0.269081 Co\n0.750000 0.510079 0.760081 As\n0.250000 0.489921 0.239919 As\n0.250000 0.834326 0.767455 Cl\n0.750000 0.165674 0.232545 Cl\n0.043871 0.694466 0.201377 O\n0.250000 0.323545 0.453244 O\n0.456129 0.694466 0.201377 O\n0.956129 0.305534 0.798623 O\n0.750000 0.676455 0.546756 O\n0.250000 0.240086 0.064459 O\n0.543871 0.305534 0.798623 O\n0.750000 0.759914 0.935541 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"Co",
"As",
"Cl",
"O"
],
"chemical_system": "As-Cl-Co-O",
"density": 4.160909663174132,
"density_atomic": 0.06859486610563836,
"volume": 233.25360786271483,
"volume_molar": 8.779287870794446,
"formula_full": "Co4 As2 Cl2 O8",
"formula_reduced": "Co2AsClO4",
"formula_anonymous": "ABC2D4",
"energy": -105.04882366,
"energy_per_atom": -6.56555147875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -91.77282366,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989665,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:19.659000Z",
"spacegroup": 11
},
{
"id": "mp-770400",
"created_at": "2022-09-04T14:40:21.275943Z",
"structure_string": "Li8 Al4 Ni4 O16\n1.0\n10.728999 0.000000 0.000000\n0.000000 5.098234 0.000000\n0.000000 5.076781 6.370809\nLi Al Ni O\n8 4 4 16\ndirect\n0.834122 0.300044 0.011073 Li\n0.080153 0.055456 0.241919 Li\n0.580153 0.944544 0.258081 Li\n0.334122 0.699956 0.488927 Li\n0.665878 0.300044 0.511073 Li\n0.419847 0.055456 0.741919 Li\n0.919847 0.944544 0.758081 Li\n0.165878 0.699956 0.988927 Li\n0.412438 0.443924 0.240229 Al\n0.912438 0.556076 0.259771 Al\n0.087562 0.443924 0.740229 Al\n0.587562 0.556076 0.759771 Al\n0.666777 0.810450 0.007701 Ni\n0.166777 0.189550 0.492299 Ni\n0.833223 0.810450 0.507701 Ni\n0.333223 0.189550 0.992299 Ni\n0.335786 0.798613 0.016691 O\n0.831533 0.679339 0.029529 O\n0.070300 0.462268 0.249897 O\n0.407698 0.106495 0.227909 O\n0.907698 0.893505 0.272091 O\n0.570300 0.537732 0.250103 O\n0.331533 0.320661 0.470471 O\n0.835786 0.201387 0.483309 O\n0.164214 0.798613 0.516691 O\n0.668467 0.679339 0.529529 O\n0.429700 0.462268 0.749897 O\n0.092302 0.106495 0.727909 O\n0.592302 0.893505 0.772091 O\n0.929700 0.537732 0.750103 O\n0.168467 0.320661 0.970471 O\n0.664214 0.201387 0.983309 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Li",
"Al",
"Ni",
"O"
],
"chemical_system": "Al-Li-Ni-O",
"density": 3.1174402208185903,
"density_atomic": 0.09182827447207416,
"volume": 348.476546945587,
"volume_molar": 6.558046303953353,
"formula_full": "Li8 Al4 Ni4 O16",
"formula_reduced": "Li2AlNiO4",
"formula_anonymous": "ABC2D4",
"energy": -202.93794642,
"energy_per_atom": -6.341810825625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.78194642,
"band_gap": 1.2242,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989727,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:04.606000Z",
"spacegroup": 14
},
{
"id": "mp-26493",
"created_at": "2022-09-04T14:41:10.622319Z",
"structure_string": "Li4 Cr4 P8 O28\n1.0\n5.012459 0.000000 0.000000\n0.000000 8.377276 0.000000\n0.000000 2.536858 11.916895\nLi Cr P O\n4 4 8 28\ndirect\n0.731275 0.124524 0.298528 Li\n0.268725 0.875476 0.701472 Li\n0.768725 0.624524 0.798528 Li\n0.231275 0.375476 0.201472 Li\n0.239355 0.762456 0.968059 Cr\n0.739355 0.737544 0.531941 Cr\n0.260645 0.262456 0.468059 Cr\n0.760645 0.237544 0.031941 Cr\n0.734059 0.580710 0.115952 P\n0.265941 0.419290 0.884048 P\n0.258688 0.526925 0.642144 P\n0.234059 0.919290 0.384048 P\n0.241312 0.026925 0.142144 P\n0.765941 0.080710 0.615952 P\n0.758688 0.973075 0.857856 P\n0.741312 0.473075 0.357856 P\n0.787814 0.606267 0.242094 O\n0.660476 0.905971 0.621232 O\n0.554349 0.832004 0.860837 O\n0.042865 0.908127 0.843100 O\n0.957135 0.091873 0.156900 O\n0.445651 0.167996 0.139163 O\n0.339524 0.094029 0.378768 O\n0.066744 0.095042 0.590004 O\n0.712186 0.106267 0.742094 O\n0.603665 0.212899 0.542635 O\n0.718130 0.064680 0.949519 O\n0.839524 0.405971 0.121232 O\n0.945651 0.332004 0.360837 O\n0.457135 0.408127 0.343100 O\n0.218130 0.435320 0.550481 O\n0.287814 0.893733 0.257906 O\n0.103665 0.287101 0.957365 O\n0.212186 0.393733 0.757906 O\n0.433256 0.595042 0.090004 O\n0.896335 0.712899 0.042635 O\n0.566744 0.404958 0.909996 O\n0.781870 0.564680 0.449519 O\n0.542865 0.591873 0.656900 O\n0.054349 0.667996 0.639163 O\n0.160476 0.594029 0.878768 O\n0.281870 0.935320 0.050481 O\n0.396335 0.787101 0.457365 O\n0.933256 0.904958 0.409996 O\n",
"nsites": 44,
"nelements": 4,
"elements": [
"Li",
"Cr",
"P",
"O"
],
"chemical_system": "Cr-Li-O-P",
"density": 3.0911871672411313,
"density_atomic": 0.08792976376310353,
"volume": 500.39938829521765,
"volume_molar": 6.848808073935675,
"formula_full": "Li4 Cr4 P8 O28",
"formula_reduced": "LiCrP2O7",
"formula_anonymous": "ABC2D7",
"energy": -344.59745648,
"energy_per_atom": -7.831760374545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -317.36545648,
"band_gap": 2.8819,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989734,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:10.505000Z",
"spacegroup": 14
},
{
"id": "mp-1517108",
"created_at": "2022-09-04T14:47:25.444091Z",
"structure_string": "Ba2 Sm2 Eu2 W2 O12\n1.0\n5.979560 0.013124 -0.015578\n0.006507 6.056133 0.010614\n-0.033126 0.004201 8.444701\nBa Sm Eu W O\n2 2 2 2 12\ndirect\n0.989665 0.039002 0.247948 Ba\n0.010335 0.960998 0.752052 Ba\n0.000000 0.500000 0.000000 Sm\n0.500000 -0.000000 0.500000 Sm\n0.511165 0.545954 0.244736 Eu\n0.488835 0.454046 0.755264 Eu\n0.500000 -0.000000 0.000000 W\n0.000000 0.500000 0.500000 W\n0.231733 0.202721 0.963297 O\n0.275348 0.691245 0.544790 O\n0.768267 0.797279 0.036703 O\n0.724652 0.308755 0.455210 O\n0.314005 0.720049 0.954649 O\n0.199687 0.237391 0.545505 O\n0.685995 0.279951 0.045351 O\n0.800313 0.762609 0.454495 O\n0.434366 0.972372 0.227852 O\n0.092855 0.496870 0.269498 O\n0.565634 0.027628 0.772148 O\n0.907145 0.503130 0.730502 O\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Ba",
"Sm",
"Eu",
"W",
"O"
],
"chemical_system": "Ba-Eu-O-Sm-W",
"density": 7.813744832448174,
"density_atomic": 0.06540138334595838,
"volume": 305.8039291646871,
"volume_molar": 9.207971531954074,
"formula_full": "Ba2 Sm2 Eu2 W2 O12",
"formula_reduced": "BaSmEuWO6",
"formula_anonymous": "ABCDE6",
"energy": -180.46865791,
"energy_per_atom": -9.0234328955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.34865791,
"band_gap": 0.0483000000000002,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9989818,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:11.926000Z",
"spacegroup": 2
},
{
"id": "mp-1101586",
"created_at": "2022-09-04T14:46:55.644831Z",
"structure_string": "Co4 P12 O36\n1.0\n9.460647 0.000000 0.000000\n-2.989908 8.979021 0.000000\n-2.529120 -4.177243 8.212451\nCo P O\n4 12 36\ndirect\n0.257898 0.776275 0.727681 Co\n0.892425 0.695927 0.793351 Co\n0.742102 0.223725 0.272319 Co\n0.107575 0.304073 0.206649 Co\n0.997794 0.394242 0.647928 P\n0.063478 0.796945 0.169344 P\n0.814135 0.906873 0.078024 P\n0.509626 0.157745 0.902357 P\n0.431338 0.665684 0.304446 P\n0.298077 0.436483 0.593179 P\n0.568662 0.334316 0.695554 P\n0.701923 0.563517 0.406821 P\n0.936522 0.203055 0.830656 P\n0.490374 0.842255 0.097643 P\n0.185865 0.093127 0.921976 P\n0.002206 0.605758 0.352072 P\n0.435298 0.983861 0.766978 O\n0.429861 0.404567 0.699527 O\n0.356570 0.804196 0.942345 O\n0.645919 0.378898 0.351557 O\n0.966661 0.276687 0.010305 O\n0.845357 0.633582 0.352263 O\n0.154643 0.366418 0.647737 O\n0.584347 0.301257 0.857307 O\n0.032546 0.574949 0.686638 O\n0.728155 0.486935 0.759480 O\n0.873747 0.092634 0.183933 O\n0.091814 0.164534 0.820872 O\n0.487108 0.815861 0.454007 O\n0.777700 0.066540 0.709069 O\n0.512892 0.184139 0.545993 O\n0.985293 0.368248 0.799363 O\n0.222300 0.933460 0.290931 O\n0.369387 0.196900 0.949942 O\n0.271845 0.513065 0.240520 O\n0.146577 0.737782 0.509424 O\n0.570139 0.595433 0.300473 O\n0.908186 0.835466 0.179128 O\n0.415653 0.698743 0.142693 O\n0.033339 0.723313 0.989695 O\n0.174416 0.139906 0.084047 O\n0.630613 0.803100 0.050058 O\n0.236245 0.326827 0.412337 O\n0.014707 0.631752 0.200637 O\n0.853423 0.262218 0.490576 O\n0.763755 0.673173 0.587663 O\n0.967454 0.425051 0.313362 O\n0.825584 0.860094 0.915953 O\n0.643430 0.195804 0.057655 O\n0.354081 0.621102 0.648443 O\n0.126253 0.907366 0.816067 O\n0.564702 0.016139 0.233022 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.816804439501058,
"density_atomic": 0.07453851338517259,
"volume": 697.6259337410395,
"volume_molar": 8.079233790028795,
"formula_full": "Co4 P12 O36",
"formula_reduced": "Co(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -389.64763347,
"energy_per_atom": -7.493223720576923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -358.36363347,
"band_gap": 0.1442999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989841,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:47.704000Z",
"spacegroup": 2
},
{
"id": "mp-1246260",
"created_at": "2022-09-04T14:48:22.705005Z",
"structure_string": "Sr40 Mn8 N32\n1.0\n9.796729 0.000000 -1.363538\n0.000000 15.636074 0.000000\n-3.938385 0.000000 12.772236\nSr Mn N\n40 8 32\ndirect\n0.431175 0.750000 0.718517 Sr\n0.568825 0.250000 0.281483 Sr\n0.486432 0.750000 0.166554 Sr\n0.513568 0.250000 0.833446 Sr\n0.150173 0.596661 0.772954 Sr\n0.849827 0.096661 0.227046 Sr\n0.849827 0.403339 0.227046 Sr\n0.150173 0.903339 0.772954 Sr\n0.728422 0.371066 0.562059 Sr\n0.271578 0.871066 0.437941 Sr\n0.271578 0.628934 0.437941 Sr\n0.728422 0.128934 0.562059 Sr\n0.863544 0.250000 0.820495 Sr\n0.136456 0.750000 0.179505 Sr\n0.204790 0.501119 0.031547 Sr\n0.795210 0.001119 0.968453 Sr\n0.795210 0.498881 0.968453 Sr\n0.204790 0.998881 0.031547 Sr\n0.000000 0.500000 0.500000 Sr\n0.000000 0.000000 0.500000 Sr\n0.490026 0.386818 0.020179 Sr\n0.509974 0.886818 0.979821 Sr\n0.509974 0.613182 0.979821 Sr\n0.490026 0.113182 0.020179 Sr\n0.166010 0.355531 0.764552 Sr\n0.833990 0.855531 0.235448 Sr\n0.833990 0.644469 0.235448 Sr\n0.166010 0.144469 0.764552 Sr\n0.768955 0.632572 0.712202 Sr\n0.231045 0.132572 0.287798 Sr\n0.231045 0.367428 0.287798 Sr\n0.768955 0.867428 0.712202 Sr\n0.788646 0.750000 0.957251 Sr\n0.211354 0.250000 0.042749 Sr\n0.564956 0.485167 0.285046 Sr\n0.435045 0.985167 0.714955 Sr\n0.435045 0.514833 0.714955 Sr\n0.564956 0.014833 0.285046 Sr\n0.965235 0.250000 0.483764 Sr\n0.034765 0.750000 0.516236 Sr\n0.912528 0.456374 0.791421 Mn\n0.087472 0.956374 0.208579 Mn\n0.087472 0.543626 0.208579 Mn\n0.912528 0.043626 0.791421 Mn\n0.641542 0.750000 0.443749 Mn\n0.358458 0.250000 0.556251 Mn\n0.826583 0.250000 0.065145 Mn\n0.173417 0.750000 0.934855 Mn\n0.900060 0.250000 0.648269 N\n0.099940 0.750000 0.351731 N\n0.006508 0.750000 0.819372 N\n0.993492 0.250000 0.180628 N\n0.372629 0.371916 0.175244 N\n0.627371 0.871916 0.824756 N\n0.627371 0.628084 0.824756 N\n0.372629 0.128084 0.175244 N\n0.345690 0.484434 0.858335 N\n0.654310 0.984434 0.141665 N\n0.654310 0.515566 0.141665 N\n0.345690 0.015566 0.858335 N\n0.929012 0.490901 0.677175 N\n0.070988 0.990901 0.322825 N\n0.070988 0.509099 0.322825 N\n0.929012 0.009099 0.677175 N\n0.737535 0.340062 0.003226 N\n0.262465 0.840062 0.996774 N\n0.262465 0.659938 0.996774 N\n0.737535 0.159938 0.003226 N\n0.988095 0.608751 0.104033 N\n0.011905 0.108751 0.895967 N\n0.011905 0.391249 0.895967 N\n0.988095 0.891249 0.104033 N\n0.665598 0.750000 0.089462 N\n0.334402 0.250000 0.910538 N\n0.791117 0.383256 0.395961 N\n0.208883 0.883256 0.604039 N\n0.208883 0.616744 0.604039 N\n0.791117 0.116744 0.395961 N\n0.742144 0.750000 0.363381 N\n0.257856 0.250000 0.636619 N\n",
"nsites": 80,
"nelements": 3,
"elements": [
"Sr",
"Mn",
"N"
],
"chemical_system": "Mn-N-Sr",
"density": 3.895271504610395,
"density_atomic": 0.04272332042545417,
"volume": 1872.5136343180088,
"volume_molar": 14.09567585110277,
"formula_full": "Sr40 Mn8 N32",
"formula_reduced": "Sr5MnN4",
"formula_anonymous": "AB4C5",
"energy": -454.9119564900001,
"energy_per_atom": -5.686399456125001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -443.35995649,
"band_gap": 0.0486000000000004,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9989878,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:18.725000Z",
"spacegroup": 11
},
{
"id": "mp-1412364",
"created_at": "2022-09-04T14:39:23.483407Z",
"structure_string": "Zn2 Fe3 O8\n1.0\n2.953876 5.150018 0.000000\n-2.953876 5.150018 0.000000\n0.000000 1.809099 4.694788\nZn Fe O\n2 3 8\ndirect\n0.716937 0.716937 0.346726 Zn\n0.283063 0.283063 0.653274 Zn\n0.000000 0.000000 0.500000 Fe\n0.737473 0.262527 0.000000 Fe\n0.262527 0.737473 0.000000 Fe\n0.390040 0.390040 0.923969 O\n0.609960 0.609960 0.076031 O\n0.890843 0.890843 0.922685 O\n0.109157 0.109157 0.077315 O\n0.346016 0.887558 0.600352 O\n0.887558 0.346016 0.600352 O\n0.112442 0.653984 0.399648 O\n0.653984 0.112442 0.399648 O\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Zn",
"Fe",
"O"
],
"chemical_system": "Fe-O-Zn",
"density": 4.95640221679671,
"density_atomic": 0.09101151915254463,
"volume": 142.83906170394397,
"volume_molar": 6.616899504672893,
"formula_full": "Zn2 Fe3 O8",
"formula_reduced": "Zn2Fe3O8",
"formula_anonymous": "A2B3C8",
"energy": -85.65963583999999,
"energy_per_atom": -6.589202756923076,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -73.39563584,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9989885,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.704000Z",
"spacegroup": 12
}
]
}