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=formula_full&page=10200",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formula_full&page=10198",
"results": [
{
"id": "mp-1202041",
"created_at": "2022-09-04T14:40:10.864542Z",
"structure_string": "Sr4 P12 H40 C12 N4 O36\n1.0\n14.046250 0.000000 0.000000\n0.000000 8.201971 0.000000\n0.000000 5.335781 9.675135\nSr P H C N O\n4 12 40 12 4 36\ndirect\n0.651207 0.562243 0.923912 Sr\n0.848793 0.562243 0.423912 Sr\n0.348793 0.437757 0.076088 Sr\n0.151207 0.437757 0.576088 Sr\n0.640829 0.359611 0.684682 P\n0.859171 0.359611 0.184682 P\n0.359171 0.640389 0.315318 P\n0.140829 0.640389 0.815318 P\n0.459734 0.782782 0.742256 P\n0.040266 0.782782 0.242256 P\n0.540266 0.217218 0.257744 P\n0.959734 0.217218 0.757744 P\n0.325844 0.163342 0.878816 P\n0.174156 0.163342 0.378816 P\n0.674156 0.836658 0.121184 P\n0.825844 0.836658 0.621184 P\n0.608621 0.040231 0.742648 H\n0.891379 0.040231 0.242648 H\n0.391379 0.959769 0.257352 H\n0.108621 0.959769 0.757352 H\n0.585985 0.195138 0.564748 H\n0.914015 0.195138 0.064748 H\n0.414015 0.804862 0.435252 H\n0.085985 0.804862 0.935252 H\n0.344441 0.024290 0.691120 H\n0.155559 0.024290 0.191120 H\n0.655559 0.975710 0.308880 H\n0.844441 0.975710 0.808880 H\n0.423666 0.083580 0.550351 H\n0.076334 0.083580 0.050351 H\n0.576334 0.916420 0.449649 H\n0.923666 0.916420 0.949649 H\n0.468595 0.974605 0.912074 H\n0.031405 0.974605 0.412074 H\n0.531405 0.025395 0.087926 H\n0.968595 0.025395 0.587926 H\n0.496413 0.210461 0.866014 H\n0.003587 0.210461 0.366014 H\n0.503587 0.789539 0.133986 H\n0.996413 0.789539 0.633986 H\n0.440602 0.290290 0.631922 H\n0.059398 0.290290 0.131922 H\n0.559398 0.709710 0.368078 H\n0.940602 0.709710 0.868078 H\n0.296164 0.866634 0.011885 H\n0.203836 0.866634 0.511885 H\n0.703836 0.133366 0.988115 H\n0.796164 0.133366 0.488115 H\n0.321127 0.661720 0.744653 H\n0.178873 0.661720 0.244653 H\n0.678873 0.338280 0.255347 H\n0.821127 0.338280 0.755347 H\n0.567549 0.628592 0.627194 H\n0.932451 0.628592 0.127194 H\n0.432451 0.371408 0.372806 H\n0.067549 0.371408 0.872806 H\n0.576059 0.173547 0.670087 C\n0.923941 0.173547 0.170087 C\n0.423941 0.826453 0.329913 C\n0.076059 0.826453 0.829913 C\n0.419594 0.026747 0.662938 C\n0.080406 0.026747 0.162938 C\n0.580406 0.973253 0.337062 C\n0.919594 0.973253 0.837062 C\n0.449381 0.120424 0.844716 C\n0.050619 0.120424 0.344716 C\n0.550619 0.879576 0.155284 C\n0.949381 0.879576 0.655284 C\n0.469938 0.161296 0.698847 N\n0.030062 0.161296 0.198847 N\n0.530062 0.838704 0.301153 N\n0.969938 0.838704 0.801153 N\n0.739344 0.368507 0.625700 O\n0.760656 0.368507 0.125700 O\n0.260656 0.631493 0.374300 O\n0.239344 0.631493 0.874300 O\n0.578299 0.538355 0.588005 O\n0.921701 0.538355 0.088005 O\n0.421701 0.461645 0.411995 O\n0.078299 0.461645 0.911995 O\n0.640314 0.325879 0.833156 O\n0.859686 0.325879 0.333156 O\n0.359686 0.674121 0.166844 O\n0.140314 0.674121 0.666844 O\n0.461132 0.691446 0.898431 O\n0.038868 0.691446 0.398431 O\n0.538868 0.308554 0.101569 O\n0.961132 0.308554 0.601569 O\n0.380428 0.697727 0.685934 O\n0.119572 0.697727 0.185934 O\n0.619572 0.302273 0.314066 O\n0.880428 0.302273 0.814066 O\n0.554534 0.768938 0.680423 O\n0.945466 0.768938 0.180423 O\n0.445466 0.231062 0.319577 O\n0.054534 0.231062 0.819577 O\n0.283411 0.306230 0.743204 O\n0.216589 0.306230 0.243204 O\n0.716589 0.693770 0.256796 O\n0.783411 0.693770 0.756796 O\n0.332979 0.202406 0.998734 O\n0.167021 0.202406 0.498734 O\n0.667021 0.797594 0.001266 O\n0.832979 0.797594 0.501266 O\n0.271270 0.970188 0.924533 O\n0.228730 0.970188 0.424533 O\n0.728730 0.029812 0.075467 O\n0.771270 0.029812 0.575467 O\n",
"nsites": 108,
"nelements": 6,
"elements": [
"Sr",
"P",
"H",
"C",
"N",
"O"
],
"chemical_system": "C-H-N-O-P-Sr",
"density": 2.292153944003936,
"density_atomic": 0.09689203974219061,
"volume": 1114.6426505971526,
"volume_molar": 6.215310128699585,
"formula_full": "Sr4 P12 H40 C12 N4 O36",
"formula_reduced": "SrP3H10C3NO9",
"formula_anonymous": "ABC3D3E9F10",
"energy": -687.0481868600001,
"energy_per_atom": -6.361557285740742,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -660.87218686,
"band_gap": 5.5533,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003009,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.462000Z",
"spacegroup": 14
},
{
"id": "mp-1203893",
"created_at": "2022-09-04T14:43:40.133568Z",
"structure_string": "Sr4 P12 H60 N16 O40\n1.0\n10.645715 0.000000 0.000000\n0.000000 10.988583 0.000000\n0.000000 6.579033 11.293453\nSr P H N O\n4 12 60 16 40\ndirect\n0.974493 0.846780 0.453535 Sr\n0.525507 0.846780 0.953535 Sr\n0.025507 0.153220 0.546465 Sr\n0.474493 0.153220 0.046465 Sr\n0.646285 0.926801 0.348076 P\n0.853715 0.926801 0.848076 P\n0.353715 0.073199 0.651924 P\n0.146285 0.073199 0.151924 P\n0.722080 0.047671 0.497304 P\n0.777920 0.047671 0.997304 P\n0.277920 0.952329 0.502696 P\n0.222080 0.952329 0.002696 P\n0.659463 0.743412 0.605819 P\n0.840537 0.743412 0.105819 P\n0.340537 0.256588 0.394181 P\n0.159463 0.256588 0.894181 P\n0.567362 0.114180 0.359652 H\n0.932638 0.114180 0.859652 H\n0.432638 0.885820 0.640348 H\n0.067362 0.885820 0.140348 H\n0.674207 0.887197 0.690361 H\n0.825793 0.887197 0.190361 H\n0.325793 0.112803 0.309639 H\n0.174207 0.112803 0.809639 H\n0.492864 0.795741 0.480492 H\n0.007136 0.795741 0.980492 H\n0.507136 0.204259 0.519508 H\n0.992864 0.204259 0.019508 H\n0.338818 0.663984 0.379392 H\n0.161182 0.663984 0.879392 H\n0.661182 0.336016 0.620608 H\n0.838818 0.336016 0.120608 H\n0.281498 0.808721 0.259646 H\n0.218502 0.808721 0.759646 H\n0.718502 0.191279 0.740354 H\n0.781498 0.191279 0.240354 H\n0.430593 0.815106 0.299892 H\n0.069407 0.815106 0.799892 H\n0.569407 0.184894 0.700108 H\n0.930593 0.184894 0.200108 H\n0.390777 0.711897 0.242399 H\n0.109223 0.711897 0.742399 H\n0.609223 0.288103 0.757601 H\n0.890777 0.288103 0.257601 H\n0.200080 0.671842 0.592347 H\n0.299920 0.671842 0.092347 H\n0.799920 0.328158 0.407653 H\n0.700080 0.328158 0.907653 H\n0.108478 0.545666 0.677155 H\n0.391522 0.545666 0.177155 H\n0.891522 0.454334 0.322845 H\n0.608478 0.454334 0.822845 H\n0.101091 0.605417 0.428984 H\n0.398909 0.605417 0.928984 H\n0.898909 0.394583 0.571016 H\n0.601091 0.394583 0.071016 H\n0.996173 0.656569 0.327165 H\n0.503827 0.656569 0.827165 H\n0.003827 0.343431 0.672835 H\n0.496173 0.343431 0.172835 H\n0.760102 0.569788 0.535286 H\n0.739898 0.569788 0.035286 H\n0.239898 0.430212 0.464714 H\n0.260102 0.430212 0.964714 H\n0.696568 0.529542 0.444714 H\n0.803432 0.529542 0.944714 H\n0.303432 0.470458 0.555286 H\n0.196568 0.470458 0.055286 H\n0.361518 0.407818 0.754611 H\n0.138482 0.407818 0.254611 H\n0.638482 0.592182 0.245389 H\n0.861518 0.592182 0.745389 H\n0.460140 0.522998 0.673089 H\n0.039860 0.522998 0.173089 H\n0.539860 0.477002 0.326911 H\n0.960140 0.477002 0.826911 H\n0.653451 0.066047 0.372828 N\n0.846549 0.066047 0.872828 N\n0.346549 0.933953 0.627172 N\n0.153451 0.933953 0.127172 N\n0.659296 0.896299 0.608393 N\n0.840704 0.896299 0.108393 N\n0.340704 0.103701 0.391607 N\n0.159296 0.103701 0.891607 N\n0.589831 0.788793 0.475419 N\n0.910169 0.788793 0.975419 N\n0.410169 0.211207 0.524581 N\n0.089831 0.211207 0.024581 N\n0.361994 0.749796 0.297030 N\n0.138006 0.749796 0.797030 N\n0.638006 0.250204 0.702970 N\n0.861994 0.250204 0.202970 N\n0.779930 0.894970 0.329960 O\n0.720070 0.894970 0.829960 O\n0.220070 0.105030 0.670040 O\n0.279930 0.105030 0.170040 O\n0.549563 0.962332 0.253010 O\n0.950437 0.962332 0.753010 O\n0.450437 0.037668 0.746990 O\n0.049563 0.037668 0.246990 O\n0.862566 0.029976 0.484797 O\n0.637434 0.029976 0.984797 O\n0.137434 0.970024 0.515203 O\n0.362566 0.970024 0.015203 O\n0.684967 0.169116 0.513733 O\n0.815033 0.169116 0.013733 O\n0.315033 0.830884 0.486267 O\n0.184967 0.830884 0.986267 O\n0.792762 0.695116 0.600398 O\n0.707238 0.695116 0.100398 O\n0.207238 0.304884 0.399602 O\n0.292762 0.304884 0.899602 O\n0.577091 0.638601 0.707059 O\n0.922909 0.638601 0.207059 O\n0.422909 0.361399 0.292941 O\n0.077091 0.361399 0.792941 O\n0.114908 0.649178 0.627268 O\n0.385092 0.649178 0.127268 O\n0.885092 0.350822 0.372732 O\n0.614908 0.350822 0.872732 O\n0.034112 0.675307 0.386836 O\n0.465888 0.675307 0.886836 O\n0.965888 0.324693 0.613164 O\n0.534112 0.324693 0.113164 O\n0.750056 0.493851 0.516580 O\n0.749944 0.493851 0.016580 O\n0.249944 0.506149 0.483420 O\n0.250056 0.506149 0.983420 O\n0.400633 0.453388 0.674972 O\n0.099367 0.453388 0.174972 O\n0.599367 0.546612 0.325028 O\n0.900633 0.546612 0.825028 O\n",
"nsites": 132,
"nelements": 5,
"elements": [
"Sr",
"P",
"H",
"N",
"O"
],
"chemical_system": "H-N-O-P-Sr",
"density": 2.0697926089248138,
"density_atomic": 0.09991499113481268,
"volume": 1321.1230717310063,
"volume_molar": 6.027264469127043,
"formula_full": "Sr4 P12 H60 N16 O40",
"formula_reduced": "SrP3H15(N2O5)2",
"formula_anonymous": "AB3C4D10E15",
"energy": -801.1457275199999,
"energy_per_atom": -6.069285814545454,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -767.88972752,
"band_gap": 4.9154,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.533000Z",
"spacegroup": 14
},
{
"id": "mp-1204920",
"created_at": "2022-09-04T14:43:42.715045Z",
"structure_string": "Sr4 P12 N4 O48\n1.0\n0.000000 -7.198834 0.000000\n-10.030592 0.000000 0.000000\n0.000000 0.000000 -16.812122\nSr P N O\n4 12 4 48\ndirect\n0.750000 0.161302 0.042985 Sr\n0.750000 0.661302 0.457015 Sr\n0.250000 0.838698 0.957015 Sr\n0.250000 0.338698 0.542985 Sr\n0.750000 0.520780 0.083480 P\n0.750000 0.020780 0.416520 P\n0.250000 0.479220 0.916520 P\n0.250000 0.979220 0.583480 P\n0.939863 0.360028 0.200118 P\n0.560137 0.860028 0.299882 P\n0.439863 0.639972 0.799882 P\n0.060137 0.139972 0.700118 P\n0.060137 0.639972 0.799882 P\n0.439863 0.139972 0.700118 P\n0.560137 0.360028 0.200118 P\n0.939863 0.860028 0.299882 P\n0.750000 0.191640 0.766849 N\n0.750000 0.691640 0.733151 N\n0.250000 0.808360 0.233151 N\n0.250000 0.308360 0.266849 N\n0.926951 0.491133 0.148755 O\n0.573049 0.991133 0.351245 O\n0.426951 0.508867 0.851245 O\n0.073049 0.008867 0.648755 O\n0.073049 0.508867 0.851245 O\n0.426951 0.008867 0.648755 O\n0.573049 0.491133 0.148755 O\n0.926951 0.991133 0.351245 O\n0.750000 0.364506 0.252967 O\n0.750000 0.864506 0.247033 O\n0.250000 0.635494 0.747033 O\n0.250000 0.135494 0.752967 O\n0.750000 0.406855 0.026029 O\n0.750000 0.906855 0.473971 O\n0.250000 0.593145 0.973971 O\n0.250000 0.093145 0.526029 O\n0.750000 0.663213 0.064431 O\n0.750000 0.163213 0.435569 O\n0.250000 0.336787 0.935569 O\n0.250000 0.836787 0.564431 O\n0.096700 0.397240 0.265130 O\n0.403300 0.897240 0.234870 O\n0.596700 0.602760 0.734870 O\n0.903300 0.102760 0.765130 O\n0.903300 0.602760 0.734870 O\n0.596700 0.102760 0.765130 O\n0.403300 0.397240 0.265130 O\n0.096700 0.897240 0.234870 O\n0.964393 0.232629 0.157685 O\n0.535607 0.732629 0.342315 O\n0.464393 0.767371 0.842315 O\n0.035607 0.267371 0.657685 O\n0.035607 0.767371 0.842315 O\n0.464393 0.267371 0.657685 O\n0.535607 0.232629 0.157685 O\n0.964393 0.732629 0.342315 O\n0.750000 0.959894 0.952079 O\n0.750000 0.459894 0.547921 O\n0.250000 0.040106 0.047921 O\n0.250000 0.540106 0.452079 O\n0.025835 0.983228 0.039037 O\n0.474165 0.483228 0.460963 O\n0.525835 0.016772 0.960963 O\n0.974165 0.516772 0.539037 O\n0.974165 0.016772 0.960963 O\n0.525835 0.516772 0.539037 O\n0.474165 0.983228 0.039037 O\n0.025835 0.483228 0.460963 O\n",
"nsites": 68,
"nelements": 4,
"elements": [
"Sr",
"P",
"N",
"O"
],
"chemical_system": "N-O-P-Sr",
"density": 2.114916164552988,
"density_atomic": 0.056014137749996674,
"volume": 1213.979233305328,
"volume_molar": 10.751108562767008,
"formula_full": "Sr4 P12 N4 O48",
"formula_reduced": "SrP3NO12",
"formula_anonymous": "ABC3D12",
"energy": -441.27184405,
"energy_per_atom": -6.489291824264706,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -433.54384405,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.1838615,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.706000Z",
"spacegroup": 62
},
{
"id": "mp-27583",
"created_at": "2022-09-04T14:40:55.745676Z",
"structure_string": "Sr4 P12 O34\n1.0\n13.533605 0.000000 0.000000\n0.000000 7.306377 0.000000\n0.000000 1.947253 7.083566\nSr P O\n4 12 34\ndirect\n0.217511 0.185354 0.125398 Sr\n0.717511 0.814646 0.874602 Sr\n0.000385 0.783248 0.175797 Sr\n0.500385 0.216752 0.824203 Sr\n0.249013 0.329561 0.617274 P\n0.749013 0.670439 0.382726 P\n0.035113 0.342598 0.616891 P\n0.535113 0.657402 0.383109 P\n0.936912 0.989782 0.599349 P\n0.436912 0.010218 0.400651 P\n0.757232 0.238513 0.472062 P\n0.257232 0.761487 0.527938 P\n0.728911 0.266165 0.049291 P\n0.228911 0.733835 0.950709 P\n0.950223 0.319515 0.000814 P\n0.450223 0.680485 0.999186 P\n0.311880 0.251253 0.788141 O\n0.811880 0.748747 0.211859 O\n0.238454 0.237453 0.461333 O\n0.738454 0.762547 0.538667 O\n0.140051 0.352613 0.712478 O\n0.640051 0.647387 0.287522 O\n0.023108 0.480978 0.432438 O\n0.523108 0.519022 0.567562 O\n0.030650 0.127643 0.611183 O\n0.530650 0.872357 0.388817 O\n0.968524 0.861797 0.484836 O\n0.468524 0.138203 0.515164 O\n0.895007 0.920371 0.794370 O\n0.395007 0.079629 0.205630 O\n0.863634 0.153094 0.467303 O\n0.363634 0.846906 0.532697 O\n0.457062 0.632097 0.232714 O\n0.957062 0.367903 0.767286 O\n0.525271 0.832060 0.917326 O\n0.025271 0.167940 0.082674 O\n0.448020 0.495176 0.952936 O\n0.948020 0.504824 0.047064 O\n0.343879 0.788116 0.964499 O\n0.843879 0.211884 0.035501 O\n0.167860 0.891192 0.988251 O\n0.667860 0.108808 0.011749 O\n0.206916 0.534103 0.055245 O\n0.706916 0.465897 0.944755 O\n0.212195 0.753116 0.725506 O\n0.712195 0.246884 0.274494 O\n0.279471 0.550278 0.524099 O\n0.779471 0.449722 0.475901 O\n0.192918 0.861356 0.370509 O\n0.692918 0.138644 0.629491 O\n",
"nsites": 50,
"nelements": 3,
"elements": [
"Sr",
"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.001683755844959,
"density_atomic": 0.07138426387114033,
"volume": 700.4344835755084,
"volume_molar": 8.436230106499238,
"formula_full": "Sr4 P12 O34",
"formula_reduced": "Sr2P6O17",
"formula_anonymous": "A2B6C17",
"energy": -382.50866091,
"energy_per_atom": -7.6501732182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -359.15066091,
"band_gap": 5.326,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.570000Z",
"spacegroup": 4
},
{
"id": "mp-669387",
"created_at": "2022-09-04T14:39:24.374191Z",
"structure_string": "Sr4 P12 Rh14\n1.0\n11.205460 0.000000 0.000000\n0.000000 11.205460 0.000000\n0.000000 0.000000 4.146688\nSr P Rh\n4 12 14\ndirect\n0.161462 0.661462 0.751311 Sr\n0.338538 0.161462 0.248689 Sr\n0.661462 0.838538 0.248689 Sr\n0.838538 0.338538 0.751311 Sr\n0.858066 0.110934 0.276466 P\n0.358066 0.389066 0.723534 P\n0.572613 0.072613 0.765374 P\n0.641934 0.610934 0.723534 P\n0.610934 0.358066 0.276466 P\n0.072613 0.427387 0.234626 P\n0.389066 0.641934 0.276466 P\n0.927387 0.572613 0.234626 P\n0.110934 0.141934 0.723534 P\n0.427387 0.927387 0.765374 P\n0.141934 0.889066 0.276466 P\n0.889066 0.858066 0.723534 P\n0.537441 0.276148 0.755619 Rh\n0.037441 0.223852 0.244381 Rh\n0.723852 0.537441 0.244381 Rh\n0.276148 0.462559 0.244381 Rh\n0.347492 0.847492 0.263597 Rh\n0.847492 0.652508 0.736403 Rh\n0.962559 0.776148 0.244381 Rh\n0.223852 0.962559 0.755619 Rh\n0.776148 0.037441 0.755619 Rh\n0.000000 0.000000 0.000000 Rh\n0.152508 0.347492 0.736403 Rh\n0.462559 0.723852 0.755619 Rh\n0.500000 0.500000 0.000000 Rh\n0.652508 0.152508 0.263597 Rh\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Sr",
"P",
"Rh"
],
"chemical_system": "P-Rh-Sr",
"density": 6.897841036563502,
"density_atomic": 0.05761830995185884,
"volume": 520.6678228685561,
"volume_molar": 10.451783061723972,
"formula_full": "Sr4 P12 Rh14",
"formula_reduced": "Sr2P6Rh7",
"formula_anonymous": "A2B6C7",
"energy": -201.45805329,
"energy_per_atom": -6.715268443,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -201.45805329,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0054095,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.207000Z",
"spacegroup": 113
},
{
"id": "mp-8298",
"created_at": "2022-09-04T14:47:02.566469Z",
"structure_string": "Sr4 P2 O1\n1.0\n-2.417519 2.417519 8.023919\n2.417519 -2.417519 8.023919\n2.417519 2.417519 -8.023919\nSr P O\n4 2 1\ndirect\n0.675929 0.675929 0.000000 Sr\n0.324071 0.324071 0.000000 Sr\n0.500000 0.000000 0.500000 Sr\n0.000000 0.500000 0.500000 Sr\n0.864843 0.864843 0.000000 P\n0.135157 0.135157 0.000000 P\n0.500000 0.500000 0.000000 O\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Sr",
"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.792621772957955,
"density_atomic": 0.03731742947569872,
"volume": 187.57990832563726,
"volume_molar": 16.13760873835548,
"formula_full": "Sr4 P2 O1",
"formula_reduced": "Sr4P2O",
"formula_anonymous": "AB2C4",
"energy": -33.98256387,
"energy_per_atom": -4.854651981428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.29556387,
"band_gap": 1.2134,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001568,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:52.563000Z",
"spacegroup": 139
},
{
"id": "mp-1198273",
"created_at": "2022-09-04T14:44:26.984465Z",
"structure_string": "Sr4 P44 H112 N36\n1.0\n0.000000 0.000000 -9.985881\n0.000000 -14.124910 0.000000\n-19.472406 0.000000 0.000000\nSr P H N\n4 44 112 36\ndirect\n0.066095 0.334613 0.180089 Sr\n0.566095 0.665387 0.819911 Sr\n0.566095 0.834613 0.319911 Sr\n0.066095 0.165387 0.680089 Sr\n0.454352 0.129590 0.809175 P\n0.954352 0.870409 0.190825 P\n0.954352 0.629591 0.690825 P\n0.454352 0.370410 0.309175 P\n0.754983 0.351510 0.955001 P\n0.254983 0.648490 0.044999 P\n0.254983 0.851510 0.544999 P\n0.754983 0.148490 0.455001 P\n0.536544 0.042503 0.890981 P\n0.036544 0.957497 0.109019 P\n0.036544 0.542503 0.609019 P\n0.536544 0.457497 0.390981 P\n0.429276 0.253146 0.967980 P\n0.929276 0.746854 0.032020 P\n0.929276 0.753146 0.532020 P\n0.429276 0.246854 0.467980 P\n0.403601 0.096409 0.973254 P\n0.903601 0.903591 0.026746 P\n0.903601 0.596409 0.526746 P\n0.403601 0.403591 0.473254 P\n0.735643 0.108238 0.917790 P\n0.235643 0.891762 0.082210 P\n0.235643 0.608238 0.582210 P\n0.735643 0.391762 0.417790 P\n0.716870 0.255034 0.870770 P\n0.216870 0.744966 0.129230 P\n0.216870 0.755034 0.629230 P\n0.716870 0.244966 0.370770 P\n0.715837 0.141976 0.030618 P\n0.215837 0.858024 0.969382 P\n0.215837 0.641976 0.469382 P\n0.715837 0.358024 0.530618 P\n0.496575 0.265602 0.856009 P\n0.996575 0.734398 0.143991 P\n0.996575 0.765602 0.643991 P\n0.496575 0.234398 0.356009 P\n0.621102 0.283036 0.028179 P\n0.121102 0.716964 0.971821 P\n0.121102 0.783036 0.471821 P\n0.621102 0.216964 0.528179 P\n0.528631 0.072524 0.065797 P\n0.028631 0.927476 0.934203 P\n0.028631 0.572524 0.434203 P\n0.528631 0.427476 0.565797 P\n0.562586 0.977315 0.048119 H\n0.062586 0.022685 0.951881 H\n0.062586 0.477315 0.451881 H\n0.562586 0.522685 0.548119 H\n0.908416 0.158535 0.253643 H\n0.408416 0.841465 0.746357 H\n0.408416 0.658535 0.246357 H\n0.908416 0.341465 0.753643 H\n0.807427 0.192858 0.193183 H\n0.307427 0.807142 0.806817 H\n0.307427 0.692858 0.306817 H\n0.807427 0.307142 0.693183 H\n0.928323 0.118978 0.174158 H\n0.428323 0.881022 0.825842 H\n0.428323 0.618978 0.325842 H\n0.928323 0.381022 0.674158 H\n0.993378 0.264855 0.023934 H\n0.493378 0.735145 0.976066 H\n0.493378 0.764855 0.476066 H\n0.993378 0.235145 0.523934 H\n0.155449 0.244407 0.030524 H\n0.655449 0.755593 0.969476 H\n0.655449 0.744407 0.469476 H\n0.155449 0.255593 0.530524 H\n0.046601 0.168988 0.062326 H\n0.546601 0.831012 0.937674 H\n0.546601 0.668988 0.437674 H\n0.046601 0.331012 0.562326 H\n0.925383 0.522551 0.101153 H\n0.425383 0.477449 0.898847 H\n0.425383 0.022551 0.398847 H\n0.925383 0.977449 0.601153 H\n0.066061 0.502882 0.062234 H\n0.566061 0.497118 0.937766 H\n0.566061 0.002882 0.437766 H\n0.066061 0.997118 0.562234 H\n0.932750 0.438079 0.043950 H\n0.432750 0.561921 0.956050 H\n0.432750 0.938079 0.456050 H\n0.932750 0.061921 0.543950 H\n0.790252 0.399744 0.265511 H\n0.290252 0.600256 0.734489 H\n0.290252 0.899744 0.234489 H\n0.790252 0.100256 0.765511 H\n0.803668 0.468415 0.197668 H\n0.303668 0.531585 0.802332 H\n0.303668 0.968415 0.302332 H\n0.803668 0.031585 0.697668 H\n0.733434 0.364670 0.191735 H\n0.233434 0.635330 0.808265 H\n0.233434 0.864670 0.308265 H\n0.733434 0.135330 0.691735 H\n0.178854 0.334408 0.335986 H\n0.678854 0.665592 0.664014 H\n0.678854 0.834408 0.164014 H\n0.178854 0.165592 0.835986 H\n0.015735 0.343861 0.349223 H\n0.515735 0.656139 0.650777 H\n0.515735 0.843861 0.150777 H\n0.015735 0.156139 0.849223 H\n0.085168 0.240033 0.339763 H\n0.585168 0.759967 0.660237 H\n0.585168 0.740033 0.160237 H\n0.085168 0.259967 0.839763 H\n0.322021 0.178950 0.164528 H\n0.822021 0.821050 0.835472 H\n0.822021 0.678950 0.335472 H\n0.322021 0.321050 0.664528 H\n0.297427 0.188655 0.247287 H\n0.797427 0.811345 0.752713 H\n0.797427 0.688655 0.252713 H\n0.297427 0.311345 0.747287 H\n0.198880 0.121419 0.200052 H\n0.698880 0.878581 0.799948 H\n0.698880 0.621419 0.299948 H\n0.198880 0.378581 0.700052 H\n0.295846 0.461487 0.103477 H\n0.795846 0.538513 0.896523 H\n0.795846 0.961487 0.396523 H\n0.295846 0.038513 0.603477 H\n0.369942 0.411932 0.170142 H\n0.869942 0.588068 0.829858 H\n0.869942 0.911932 0.329858 H\n0.369942 0.088068 0.670142 H\n0.359562 0.355170 0.097098 H\n0.859562 0.644830 0.902902 H\n0.859562 0.855170 0.402902 H\n0.359562 0.144830 0.597098 H\n0.202880 0.497780 0.273442 H\n0.702880 0.502220 0.726558 H\n0.702880 0.997780 0.226558 H\n0.202880 0.002220 0.773442 H\n0.142831 0.558675 0.208136 H\n0.642831 0.441325 0.791864 H\n0.642831 0.058675 0.291864 H\n0.142831 0.941325 0.708136 H\n0.047687 0.534672 0.274072 H\n0.547687 0.465328 0.725928 H\n0.547687 0.034672 0.225928 H\n0.047687 0.965328 0.774072 H\n0.044355 0.105409 0.410740 H\n0.544355 0.894591 0.589260 H\n0.544355 0.605409 0.089260 H\n0.044355 0.394591 0.910740 H\n0.084554 0.050577 0.339815 H\n0.584554 0.949423 0.660185 H\n0.584554 0.550577 0.160185 H\n0.084554 0.449423 0.839815 H\n0.117882 0.002577 0.413701 H\n0.617882 0.997423 0.586299 H\n0.617882 0.502577 0.086299 H\n0.117882 0.497423 0.913701 H\n0.905588 0.177566 0.202962 N\n0.405588 0.822434 0.797037 N\n0.405588 0.677566 0.297038 N\n0.905588 0.322434 0.702963 N\n0.066262 0.239694 0.056429 N\n0.566262 0.760306 0.943571 N\n0.566262 0.739694 0.443571 N\n0.066262 0.260306 0.556429 N\n0.984839 0.468741 0.083584 N\n0.484839 0.531259 0.916416 N\n0.484839 0.968741 0.416416 N\n0.984839 0.031259 0.583584 N\n0.811729 0.399871 0.214039 N\n0.311729 0.600129 0.785961 N\n0.311729 0.899871 0.285961 N\n0.811729 0.100129 0.714039 N\n0.086903 0.307971 0.321684 N\n0.586903 0.692029 0.678316 N\n0.586903 0.807971 0.178316 N\n0.086903 0.192029 0.821684 N\n0.248697 0.184692 0.201023 N\n0.748697 0.815308 0.798977 N\n0.748697 0.684692 0.298977 N\n0.248697 0.315308 0.701023 N\n0.307282 0.398820 0.129474 N\n0.807282 0.601180 0.870526 N\n0.807282 0.898820 0.370526 N\n0.307282 0.101180 0.629474 N\n0.120177 0.506720 0.242946 N\n0.620177 0.493280 0.757054 N\n0.620177 0.006720 0.257054 N\n0.120177 0.993280 0.742946 N\n0.118270 0.066083 0.388001 N\n0.618270 0.933917 0.611999 N\n0.618270 0.566083 0.111999 N\n0.118270 0.433917 0.888001 N\n",
"nsites": 196,
"nelements": 4,
"elements": [
"Sr",
"P",
"H",
"N"
],
"chemical_system": "H-N-P-Sr",
"density": 1.4089588683896193,
"density_atomic": 0.07136156728306987,
"volume": 2746.5764481114456,
"volume_molar": 8.43891325440202,
"formula_full": "Sr4 P44 H112 N36",
"formula_reduced": "SrP11H28N9",
"formula_anonymous": "AB9C11D28",
"energy": -1000.20342622,
"energy_per_atom": -5.103078705204082,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -987.20742622,
"band_gap": 1.9877,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:32.791000Z",
"spacegroup": 33
},
{
"id": "mp-24171",
"created_at": "2022-09-04T14:40:13.771754Z",
"structure_string": "Sr4 P4 H12 O16\n1.0\n7.157886 0.000000 0.000000\n0.000000 7.688412 0.000000\n0.000000 2.611258 7.815690\nSr P H O\n4 4 12 16\ndirect\n0.359685 0.626466 0.654025 Sr\n0.859685 0.373534 0.845975 Sr\n0.640315 0.373534 0.345975 Sr\n0.140315 0.626466 0.154025 Sr\n0.348823 0.272144 0.005013 P\n0.848823 0.727856 0.494987 P\n0.651177 0.727856 0.994987 P\n0.151177 0.272144 0.505013 P\n0.260944 0.111213 0.995689 H\n0.760944 0.888787 0.504311 H\n0.739056 0.888787 0.004311 H\n0.239056 0.111213 0.495689 H\n0.394003 0.995838 0.298444 H\n0.894003 0.004162 0.201556 H\n0.605997 0.004162 0.701556 H\n0.105997 0.995838 0.798444 H\n0.547000 0.191894 0.727669 H\n0.047000 0.808106 0.772331 H\n0.453000 0.808106 0.272331 H\n0.953000 0.191894 0.227669 H\n0.200392 0.427440 0.957665 O\n0.116267 0.859986 0.850909 O\n0.883733 0.140014 0.149091 O\n0.383733 0.859986 0.350909 O\n0.996624 0.320585 0.366194 O\n0.496624 0.679415 0.133806 O\n0.003376 0.679415 0.633806 O\n0.503376 0.320585 0.866194 O\n0.077828 0.227746 0.688262 O\n0.577828 0.772254 0.811738 O\n0.922172 0.772254 0.311738 O\n0.422172 0.227746 0.188262 O\n0.799608 0.572560 0.042335 O\n0.299608 0.427440 0.457665 O\n0.616267 0.140014 0.649091 O\n0.700392 0.572560 0.542335 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Sr",
"P",
"H",
"O"
],
"chemical_system": "H-O-P-Sr",
"density": 2.8663804549709337,
"density_atomic": 0.08369774364556981,
"volume": 430.1191218779708,
"volume_molar": 7.195105265324267,
"formula_full": "Sr4 P4 H12 O16",
"formula_reduced": "SrPH3O4",
"formula_anonymous": "ABC3D4",
"energy": -226.75060691,
"energy_per_atom": -6.298627969722222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -215.75860691,
"band_gap": 5.5192000000000005,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014893,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:57.118000Z",
"spacegroup": 14
},
{
"id": "mp-1201697",
"created_at": "2022-09-04T14:41:52.679109Z",
"structure_string": "Sr4 P4 H40 S12 O20\n1.0\n8.476207 0.000000 0.000000\n-0.295427 9.291872 0.000000\n-2.328362 -0.453624 12.700956\nSr P H S O\n4 4 40 12 20\ndirect\n0.004672 0.503244 0.323257 Sr\n0.995328 0.496756 0.676743 Sr\n0.481970 0.993314 0.818073 Sr\n0.518030 0.006686 0.181927 Sr\n0.106647 0.425984 0.011194 P\n0.893353 0.574016 0.988806 P\n0.454236 0.113995 0.498463 P\n0.545764 0.886005 0.501537 P\n0.664483 0.638855 0.343949 H\n0.335517 0.361145 0.656051 H\n0.717459 0.535350 0.434762 H\n0.282541 0.464650 0.565238 H\n0.891849 0.160084 0.267444 H\n0.108151 0.839916 0.732556 H\n0.938300 0.241935 0.169635 H\n0.061700 0.758065 0.830365 H\n0.636166 0.597176 0.596106 H\n0.363834 0.402824 0.403894 H\n0.636692 0.426704 0.587508 H\n0.363308 0.573296 0.412492 H\n0.149194 0.816821 0.305684 H\n0.850806 0.183179 0.694316 H\n0.045761 0.774383 0.194995 H\n0.954239 0.225617 0.805005 H\n0.025081 0.261579 0.492584 H\n0.974919 0.738421 0.507416 H\n0.837350 0.284481 0.466189 H\n0.162650 0.715519 0.533811 H\n0.610234 0.326976 0.115221 H\n0.389766 0.673024 0.884779 H\n0.436930 0.328666 0.142433 H\n0.563070 0.671334 0.857567 H\n0.523374 0.709643 0.067146 H\n0.476626 0.290357 0.932854 H\n0.630990 0.318469 0.885040 H\n0.369010 0.681531 0.114960 H\n0.833712 0.881880 0.849377 H\n0.166288 0.118120 0.150623 H\n0.780905 0.915698 0.728827 H\n0.219095 0.084302 0.271173 H\n0.885721 0.910569 0.277745 H\n0.114279 0.089431 0.722255 H\n0.796514 0.972105 0.365236 H\n0.203486 0.027895 0.634764 H\n0.743457 0.083362 0.017393 H\n0.256543 0.916638 0.982607 H\n0.772103 0.918185 0.027276 H\n0.227897 0.081815 0.972724 H\n0.768855 0.542675 0.106039 S\n0.231145 0.457325 0.893961 S\n0.235746 0.478923 0.156549 S\n0.764254 0.521077 0.843451 S\n0.009089 0.219177 0.000916 S\n0.990911 0.780823 0.999084 S\n0.453405 0.779876 0.613343 S\n0.546595 0.220124 0.386657 S\n0.211229 0.084857 0.465748 S\n0.788771 0.915143 0.534252 S\n0.540001 0.207375 0.644339 S\n0.459999 0.792625 0.355661 S\n0.738520 0.561318 0.365121 O\n0.261480 0.438682 0.634879 O\n0.928682 0.254289 0.244627 O\n0.071318 0.745711 0.755373 O\n0.300558 0.484523 0.423190 O\n0.699442 0.515477 0.576810 O\n0.043116 0.776416 0.271263 O\n0.956884 0.223584 0.728737 O\n0.057126 0.663764 0.512433 O\n0.942874 0.336236 0.487567 O\n0.520169 0.263443 0.126036 O\n0.479831 0.736557 0.873964 O\n0.557996 0.240953 0.901620 O\n0.442004 0.759047 0.098380 O\n0.769290 0.946044 0.800556 O\n0.230710 0.053956 0.199444 O\n0.192132 0.016174 0.709682 O\n0.807868 0.983826 0.290318 O\n0.310170 0.008178 0.970704 O\n0.689830 0.991822 0.029296 O\n",
"nsites": 80,
"nelements": 5,
"elements": [
"Sr",
"P",
"H",
"S",
"O"
],
"chemical_system": "H-O-P-S-Sr",
"density": 2.024303860759524,
"density_atomic": 0.07997399712544472,
"volume": 1000.3251416146487,
"volume_molar": 7.530123510712936,
"formula_full": "Sr4 P4 H40 S12 O20",
"formula_reduced": "SrPH10S3O5",
"formula_anonymous": "ABC3D5E10",
"energy": -416.40750582,
"energy_per_atom": -5.205093822749999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -396.63150582,
"band_gap": 3.266,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004088,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:38.192000Z",
"spacegroup": 2
},
{
"id": "mp-12923",
"created_at": "2022-09-04T14:47:29.933692Z",
"structure_string": "Sr4 P4 Ir4\n1.0\n6.383567 0.000000 0.000000\n0.000000 6.383567 0.000000\n0.000000 0.000000 6.383567\nSr P Ir\n4 4 4\ndirect\n0.618959 0.381041 0.881041 Sr\n0.381041 0.881041 0.618959 Sr\n0.118959 0.118959 0.118959 Sr\n0.881041 0.618959 0.381041 Sr\n0.161399 0.338601 0.661399 P\n0.661399 0.161399 0.338601 P\n0.338601 0.661399 0.161399 P\n0.838601 0.838601 0.838601 P\n0.591694 0.908306 0.091694 Ir\n0.091694 0.591694 0.908306 Ir\n0.408306 0.408306 0.408306 Ir\n0.908306 0.091694 0.591694 Ir\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Sr",
"P",
"Ir"
],
"chemical_system": "Ir-P-Sr",
"density": 7.936241482430206,
"density_atomic": 0.04613079967520113,
"volume": 260.12989335736415,
"volume_molar": 13.054490280681966,
"formula_full": "Sr4 P4 Ir4",
"formula_reduced": "SrPIr",
"formula_anonymous": "ABC",
"energy": -75.56956526,
"energy_per_atom": -6.297463771666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -75.56956526,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:15.171000Z",
"spacegroup": 198
},
{
"id": "mp-732156",
"created_at": "2022-09-04T14:40:23.837304Z",
"structure_string": "Sr4 P4 O16\n1.0\n-6.884542 0.000000 0.000000\n-0.052071 -7.279881 0.000000\n0.858864 1.426338 7.117272\nSr P O\n4 4 16\ndirect\n0.447037 0.304766 0.244631 Sr\n0.552963 0.695234 0.755369 Sr\n0.857609 0.184476 0.689024 Sr\n0.142391 0.815524 0.310976 Sr\n0.623472 0.796155 0.289757 P\n0.376528 0.203845 0.710243 P\n0.949718 0.295355 0.217266 P\n0.050282 0.704645 0.782734 P\n0.804968 0.874840 0.425305 O\n0.195032 0.125160 0.574695 O\n0.506487 0.660675 0.377556 O\n0.493513 0.339325 0.622444 O\n0.683363 0.695957 0.097210 O\n0.316637 0.304043 0.902790 O\n0.485343 0.956875 0.248053 O\n0.514657 0.043125 0.751947 O\n0.072995 0.115367 0.177223 O\n0.927005 0.884633 0.822777 O\n0.814971 0.307902 0.035714 O\n0.185029 0.692098 0.964286 O\n0.097850 0.460466 0.274049 O\n0.902150 0.539534 0.725951 O\n0.816299 0.290685 0.371793 O\n0.183701 0.709315 0.628207 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Sr",
"P",
"O"
],
"chemical_system": "O-P-Sr",
"density": 3.3999804470593578,
"density_atomic": 0.06728191503554792,
"volume": 356.70803940880353,
"volume_molar": 8.950608431431009,
"formula_full": "Sr4 P4 O16",
"formula_reduced": "SrPO4",
"formula_anonymous": "ABC4",
"energy": -176.26443203,
"energy_per_atom": -7.344351334583333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -165.27243203,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0021495,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:03.372000Z",
"spacegroup": 2
},
{
"id": "mp-9788",
"created_at": "2022-09-04T14:39:18.363094Z",
"structure_string": "Sr4 P4 S12\n1.0\n7.679321 0.000000 0.000000\n0.000000 6.788596 0.000000\n0.000000 6.474236 9.490598\nSr P S\n4 4 12\ndirect\n0.614084 0.711654 0.250214 Sr\n0.114084 0.288346 0.249786 Sr\n0.385916 0.288346 0.749786 Sr\n0.885916 0.711654 0.750214 Sr\n0.606909 0.371426 0.065679 P\n0.106909 0.628574 0.434321 P\n0.393091 0.628574 0.934321 P\n0.893091 0.371426 0.565679 P\n0.702837 0.587390 0.559421 S\n0.202837 0.412610 0.940579 S\n0.297163 0.412610 0.440579 S\n0.797163 0.587390 0.059421 S\n0.996143 0.138896 0.758955 S\n0.496143 0.861104 0.741045 S\n0.003857 0.861104 0.241045 S\n0.503857 0.138896 0.258955 S\n0.811957 0.223074 0.462524 S\n0.311957 0.776926 0.037476 S\n0.188043 0.776926 0.537476 S\n0.688043 0.223074 0.962524 S\n",
"nsites": 20,
"nelements": 3,
"elements": [
"Sr",
"P",
"S"
],
"chemical_system": "P-S-Sr",
"density": 2.8835287105631813,
"density_atomic": 0.0404234738000719,
"volume": 494.76203106434724,
"volume_molar": 14.89763296886496,
"formula_full": "Sr4 P4 S12",
"formula_reduced": "SrPS3",
"formula_anonymous": "ABC3",
"energy": -106.62553276,
"energy_per_atom": -5.331276638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -100.58953276,
"band_gap": 3.1224,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0014661,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.863000Z",
"spacegroup": 14
}
]
}