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=chemical_system&page=10235",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=chemical_system&page=10233",
"results": [
{
"id": "mp-1049302",
"created_at": "2022-09-04T14:41:27.155531Z",
"structure_string": "Mg4 Sn8 P8 O36\n1.0\n6.486994 0.000000 0.000000\n0.000000 8.078462 0.000000\n0.000000 0.000000 16.078846\nMg Sn P O\n4 8 8 36\ndirect\n0.250000 0.507419 0.807442 Mg\n0.250000 0.992581 0.307442 Mg\n0.750000 0.007419 0.692558 Mg\n0.750000 0.492581 0.192558 Mg\n0.250000 0.876901 0.884786 Sn\n0.750000 0.123099 0.115214 Sn\n0.750000 0.376901 0.615214 Sn\n0.250000 0.623099 0.384786 Sn\n0.000000 0.500000 0.000000 Sn\n0.000000 0.000000 0.500000 Sn\n0.500000 0.000000 0.500000 Sn\n0.500000 0.500000 0.000000 Sn\n0.750000 0.892717 0.934480 P\n0.250000 0.107283 0.065520 P\n0.250000 0.392717 0.565520 P\n0.750000 0.607283 0.434480 P\n0.250000 0.898154 0.708006 P\n0.250000 0.601846 0.208006 P\n0.750000 0.398154 0.791994 P\n0.750000 0.101846 0.291994 P\n0.548611 0.078174 0.343284 O\n0.048611 0.921826 0.656716 O\n0.451389 0.578174 0.156716 O\n0.951389 0.421826 0.843284 O\n0.451389 0.921826 0.656716 O\n0.951389 0.078174 0.343284 O\n0.548611 0.421826 0.843284 O\n0.048611 0.578174 0.156716 O\n0.750000 0.771265 0.483549 O\n0.250000 0.228735 0.516451 O\n0.250000 0.271265 0.016451 O\n0.750000 0.728735 0.983549 O\n0.250000 0.637727 0.916352 O\n0.750000 0.362273 0.083648 O\n0.750000 0.137727 0.583648 O\n0.250000 0.862273 0.416352 O\n0.250000 0.728213 0.754115 O\n0.750000 0.271787 0.245885 O\n0.750000 0.228213 0.745885 O\n0.250000 0.771787 0.254115 O\n0.935667 0.593560 0.373816 O\n0.435667 0.406440 0.626184 O\n0.064333 0.093560 0.126184 O\n0.564333 0.906440 0.873816 O\n0.064333 0.406440 0.626184 O\n0.564333 0.593560 0.373816 O\n0.935667 0.906440 0.873816 O\n0.435667 0.093560 0.126184 O\n0.250000 0.957238 0.005353 O\n0.750000 0.528408 0.718284 O\n0.750000 0.971592 0.218284 O\n0.250000 0.028408 0.781716 O\n0.250000 0.542762 0.505353 O\n0.750000 0.457238 0.494647 O\n0.750000 0.042762 0.994647 O\n0.250000 0.471592 0.281716 O\n",
"nsites": 56,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 3.686539329223316,
"density_atomic": 0.06646009667282772,
"volume": 842.6108718390664,
"volume_molar": 9.061287993073533,
"formula_full": "Mg4 Sn8 P8 O36",
"formula_reduced": "MgSn2P2O9",
"formula_anonymous": "AB2C2D9",
"energy": -396.07808122,
"energy_per_atom": -7.072822878928571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -371.34608122,
"band_gap": 1.6000999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0009622,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:24.697000Z",
"spacegroup": 62
},
{
"id": "mp-1041181",
"created_at": "2022-09-04T14:41:24.560585Z",
"structure_string": "Mg2 Sn6 P6 O26\n1.0\n6.821338 0.000000 0.000000\n0.000000 7.866943 0.000000\n0.000000 1.384168 10.398245\nMg Sn P O\n2 6 6 26\ndirect\n0.750000 0.435539 0.225264 Mg\n0.250000 0.564461 0.774736 Mg\n0.250000 0.683948 0.256657 Sn\n0.750000 0.316052 0.743343 Sn\n0.250000 0.196999 0.392634 Sn\n0.500000 0.000000 0.000000 Sn\n0.750000 0.803001 0.607366 Sn\n0.000000 0.000000 0.000000 Sn\n0.250000 0.695465 0.523013 P\n0.750000 0.304535 0.476987 P\n0.250000 0.210185 0.730428 P\n0.750000 0.789815 0.269572 P\n0.750000 0.648991 0.927340 P\n0.250000 0.351009 0.072660 P\n0.750000 0.553775 0.802232 O\n0.574732 0.310648 0.382671 O\n0.250000 0.126676 0.607842 O\n0.562614 0.763727 0.912577 O\n0.750000 0.460452 0.557991 O\n0.750000 0.124424 0.893626 O\n0.250000 0.539548 0.442009 O\n0.062614 0.236273 0.087423 O\n0.250000 0.848703 0.410579 O\n0.750000 0.151297 0.589421 O\n0.071356 0.333402 0.741052 O\n0.250000 0.875576 0.106374 O\n0.571356 0.666598 0.258948 O\n0.750000 0.516440 0.045029 O\n0.750000 0.873324 0.392158 O\n0.437386 0.236273 0.087423 O\n0.925268 0.310648 0.382671 O\n0.425268 0.689352 0.617329 O\n0.428644 0.333402 0.741052 O\n0.250000 0.446225 0.197768 O\n0.750000 0.931824 0.147309 O\n0.250000 0.068176 0.852691 O\n0.928644 0.666598 0.258948 O\n0.937386 0.763727 0.912577 O\n0.074732 0.689352 0.617329 O\n0.250000 0.483560 0.954971 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 4.055204586502867,
"density_atomic": 0.07168435342779128,
"volume": 558.0018244886954,
"volume_molar": 8.400913828519348,
"formula_full": "Mg2 Sn6 P6 O26",
"formula_reduced": "MgSn3P3O13",
"formula_anonymous": "AB3C3D13",
"energy": -284.87489555,
"energy_per_atom": -7.121872388750001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -267.01289555,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011039,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:14.563000Z",
"spacegroup": 11
},
{
"id": "mp-1233963",
"created_at": "2022-09-04T14:43:01.197594Z",
"structure_string": "Mg1 Sn8 P4 O18\n1.0\n11.323863 -0.287522 1.577175\n-0.867275 5.512697 5.757525\n2.371101 -2.702185 6.433489\nMg Sn P O\n1 8 4 18\ndirect\n-0.000000 0.500000 0.000000 Mg\n0.113148 0.191977 0.319057 Sn\n0.031433 0.177868 0.794190 Sn\n0.305544 0.523067 0.599191 Sn\n0.375670 0.047004 0.855682 Sn\n0.624330 0.952996 0.144318 Sn\n0.694456 0.476933 0.400809 Sn\n0.968567 0.822132 0.205810 Sn\n0.886852 0.808023 0.680943 Sn\n0.284525 0.923639 0.534026 P\n0.239693 0.598221 0.154063 P\n0.760307 0.401779 0.845937 P\n0.715475 0.076361 0.465974 P\n0.103815 0.617355 0.149153 O\n0.192965 0.729685 0.688380 O\n0.247212 0.020557 0.352804 O\n0.217379 0.578715 0.383406 O\n0.354706 0.761039 0.966571 O\n0.269496 0.040852 0.671777 O\n0.429553 0.894778 0.425425 O\n0.275571 0.422983 0.113527 O\n0.124309 0.348053 0.872752 O\n0.875691 0.651947 0.127248 O\n0.724429 0.577017 0.886473 O\n0.570447 0.105222 0.574575 O\n0.730504 0.959148 0.328223 O\n0.645294 0.238961 0.033429 O\n0.782621 0.421285 0.616594 O\n0.752788 0.979443 0.647196 O\n0.807035 0.270315 0.311620 O\n0.896185 0.382645 0.850847 O\n",
"nsites": 31,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 4.143948833300824,
"density_atomic": 0.05582191392524365,
"volume": 555.3374619421863,
"volume_molar": 10.788130210054803,
"formula_full": "Mg1 Sn8 P4 O18",
"formula_reduced": "MgSn8(P2O9)2",
"formula_anonymous": "AB4C8D18",
"energy": -210.66470423,
"energy_per_atom": -6.795635620322581,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -198.29870423,
"band_gap": 0.8541999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:04.069000Z",
"spacegroup": 2
},
{
"id": "mp-1331007",
"created_at": "2022-09-04T14:46:58.650032Z",
"structure_string": "Mg4 Sn8 P8 O32\n1.0\n2.660753 9.252595 0.000000\n-2.660753 9.252595 0.000000\n0.000000 9.237992 16.126704\nMg Sn P O\n4 8 8 32\ndirect\n0.769849 0.721067 0.904795 Mg\n0.278933 0.230151 0.095205 Mg\n0.723887 0.764632 0.406045 Mg\n0.235368 0.276113 0.593955 Mg\n0.606498 0.682230 0.762241 Sn\n0.317770 0.393502 0.237759 Sn\n0.400837 0.312305 0.738162 Sn\n0.006354 0.995686 0.750518 Sn\n0.687695 0.599163 0.261838 Sn\n0.599909 0.400091 0.500000 Sn\n0.402861 0.597139 0.000000 Sn\n0.004314 0.993646 0.249482 Sn\n0.322296 0.450728 0.888034 P\n0.864730 0.817701 0.128011 P\n0.679543 0.543204 0.612651 P\n0.820854 0.861824 0.628048 P\n0.456796 0.320457 0.387349 P\n0.549272 0.677704 0.111966 P\n0.138176 0.179146 0.371952 P\n0.182299 0.135270 0.871989 P\n0.941383 0.345287 0.643009 O\n0.439607 0.030115 0.849414 O\n0.348043 0.938306 0.143327 O\n0.925844 0.805259 0.197107 O\n0.443913 0.750970 0.676392 O\n0.012684 0.812162 0.042212 O\n0.194741 0.074156 0.802893 O\n0.066269 0.563677 0.627936 O\n0.073303 0.194683 0.303209 O\n0.969885 0.560393 0.150586 O\n0.663122 0.387686 0.623575 O\n0.314631 0.329042 0.475239 O\n0.563217 0.964634 0.651065 O\n0.565930 0.062993 0.128826 O\n0.061694 0.651957 0.856673 O\n0.330240 0.614277 0.876637 O\n0.332591 0.309266 0.975472 O\n0.805317 0.926697 0.696791 O\n0.385723 0.669760 0.123363 O\n0.690734 0.667409 0.024528 O\n0.436323 0.933731 0.372064 O\n0.754754 0.440396 0.174505 O\n0.937007 0.434070 0.871174 O\n0.812487 0.011976 0.542366 O\n0.035366 0.436783 0.348935 O\n0.654713 0.058617 0.356991 O\n0.670958 0.685369 0.524761 O\n0.249030 0.556087 0.323608 O\n0.559604 0.245246 0.825495 O\n0.187838 0.987316 0.957788 O\n0.988024 0.187513 0.457634 O\n0.612314 0.336878 0.376425 O\n",
"nsites": 52,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 3.7781954635613695,
"density_atomic": 0.06548768222519655,
"volume": 794.0424555137618,
"volume_molar": 9.195837377922908,
"formula_full": "Mg4 Sn8 P8 O32",
"formula_reduced": "MgSn2(PO4)2",
"formula_anonymous": "AB2C2D8",
"energy": -368.69309484,
"energy_per_atom": -7.090251823846154,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -346.70909484,
"band_gap": 2.7965,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040042,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:46.252000Z",
"spacegroup": 15
},
{
"id": "mp-1346690",
"created_at": "2022-09-04T14:47:55.228171Z",
"structure_string": "Mg2 Sn2 P4 O14\n1.0\n6.725970 0.000000 0.000000\n1.212655 6.942596 0.000000\n3.197617 1.258460 6.245346\nMg Sn P O\n2 2 4 14\ndirect\n0.684389 0.171377 0.898706 Mg\n0.315611 0.828623 0.101294 Mg\n0.874804 0.304220 0.274384 Sn\n0.125196 0.695780 0.725616 Sn\n0.786766 0.818431 0.222561 P\n0.213234 0.181569 0.777439 P\n0.351074 0.363571 0.302301 P\n0.648926 0.636429 0.697699 P\n0.371899 0.272957 0.531857 O\n0.628101 0.727043 0.468143 O\n0.955764 0.943458 0.220191 O\n0.044236 0.056542 0.779809 O\n0.733539 0.422675 0.684501 O\n0.266461 0.577325 0.315499 O\n0.409840 0.664696 0.867289 O\n0.590160 0.335304 0.132711 O\n0.384209 0.076763 0.866114 O\n0.615791 0.923237 0.133886 O\n0.081121 0.354236 0.892028 O\n0.918879 0.645764 0.107972 O\n0.799493 0.765863 0.712125 O\n0.200507 0.234137 0.287875 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn",
"density": 3.60950735756689,
"density_atomic": 0.07543785954628796,
"volume": 291.6307558607361,
"volume_molar": 7.982915735175216,
"formula_full": "Mg2 Sn2 P4 O14",
"formula_reduced": "MgSnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -159.83813203,
"energy_per_atom": -7.2653696377272725,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -150.22013203,
"band_gap": 3.7178,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015775,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:19.608000Z",
"spacegroup": 2
},
{
"id": "mp-1046151",
"created_at": "2022-09-04T14:42:59.584223Z",
"structure_string": "Sr2 Mg2 Sn2 P4 O16\n1.0\n5.611404 0.000000 0.000000\n-0.851241 7.102741 0.000000\n-2.567236 -3.351173 9.127332\nSr Mg Sn P O\n2 2 2 4 16\ndirect\n0.801649 0.248893 0.037529 Sr\n0.198351 0.751107 0.962471 Sr\n0.620977 0.278301 0.638422 Mg\n0.379023 0.721699 0.361578 Mg\n0.964109 0.752861 0.583463 Sn\n0.035891 0.247139 0.416537 Sn\n0.845843 0.799954 0.213459 P\n0.154157 0.200046 0.786541 P\n0.463824 0.267243 0.281606 P\n0.536176 0.732757 0.718394 P\n0.120175 0.358789 0.918161 O\n0.582001 0.750887 0.232168 O\n0.121005 0.987181 0.802837 O\n0.720579 0.581196 0.699377 O\n0.417999 0.249113 0.767832 O\n0.510871 0.810933 0.585606 O\n0.489129 0.189067 0.414394 O\n0.643718 0.894409 0.868171 O\n0.878995 0.012819 0.197163 O\n0.356282 0.105591 0.131829 O\n0.879825 0.641211 0.081839 O\n0.065523 0.824776 0.354009 O\n0.934477 0.175224 0.645991 O\n0.730116 0.382717 0.298024 O\n0.279421 0.418804 0.300623 O\n0.269884 0.617283 0.701976 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mg",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr",
"density": 3.8395824304243154,
"density_atomic": 0.07147134978246591,
"volume": 363.78213198904194,
"volume_molar": 8.425950787734267,
"formula_full": "Sr2 Mg2 Sn2 P4 O16",
"formula_reduced": "SrMgSn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -188.82849566,
"energy_per_atom": -7.262634448461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.83649566,
"band_gap": 3.4052,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015678,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:03.269000Z",
"spacegroup": 2
},
{
"id": "mp-1233619",
"created_at": "2022-09-04T14:39:31.285285Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.485610 0.379626 -0.875580\n-1.177751 7.130441 -2.811579\n0.532385 -0.169126 10.086412\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.223838 0.859982 0.074512 Sr\n0.788711 0.193582 0.967021 Sr\n0.226497 0.696640 0.737336 Mg\n0.001229 0.300446 0.596328 Zn\n0.910721 0.630587 0.335843 Zn\n0.540225 0.828619 0.494197 Sn\n0.408290 0.204262 0.495675 Sn\n0.360098 0.397492 0.236678 P\n0.690291 0.616405 0.769057 P\n0.783372 0.957407 0.255828 P\n0.212073 0.048778 0.749412 P\n0.952996 0.639343 0.843423 O\n0.629821 0.437781 0.217532 O\n0.629704 0.774770 0.716184 O\n0.989341 0.157942 0.733363 O\n0.484114 0.608075 0.857383 O\n0.197789 0.854567 0.610258 O\n0.803663 0.135223 0.399527 O\n0.187177 0.977001 0.872901 O\n0.345544 0.226301 0.282961 O\n0.805885 0.004182 0.122151 O\n0.186599 0.359358 0.100117 O\n0.272096 0.573865 0.363325 O\n0.686761 0.425291 0.629105 O\n0.543616 0.843510 0.241722 O\n0.995576 0.830427 0.265323 O\n0.453497 0.158907 0.770338 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.943856640639451,
"density_atomic": 0.06766738060226918,
"volume": 399.0105684554099,
"volume_molar": 8.899621510985535,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -184.84561373,
"energy_per_atom": -6.846133841851851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -173.85361373,
"band_gap": 1.1385,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.517000Z",
"spacegroup": 1
},
{
"id": "mp-1233344",
"created_at": "2022-09-04T14:39:20.097889Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.619459 0.612353 -1.092544\n-0.803706 7.745303 -2.621703\n0.008816 -0.302672 9.374442\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.168821 0.775387 0.051526 Sr\n0.831871 0.201075 0.994270 Sr\n0.205655 0.371846 0.841140 Mg\n0.844537 0.425207 0.428492 Zn\n0.025622 0.686276 0.437821 Zn\n0.592737 0.816303 0.556264 Sn\n0.421099 0.178315 0.452902 Sn\n0.364380 0.429380 0.225618 P\n0.654703 0.555929 0.762574 P\n0.775031 0.969957 0.260428 P\n0.211826 0.027298 0.774291 P\n0.900281 0.522409 0.850053 O\n0.624111 0.389248 0.207050 O\n0.653224 0.743238 0.758540 O\n0.004877 0.152846 0.748327 O\n0.450472 0.530508 0.839404 O\n0.230999 0.873560 0.619540 O\n0.783851 0.157759 0.391343 O\n0.168516 0.962929 0.901157 O\n0.258661 0.284342 0.267067 O\n0.829986 0.983219 0.111499 O\n0.208241 0.441120 0.074788 O\n0.350762 0.609172 0.359747 O\n0.617049 0.429633 0.589015 O\n0.517844 0.910819 0.245621 O\n0.963075 0.844734 0.306671 O\n0.437007 0.144158 0.819854 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.8572807904596162,
"density_atomic": 0.06618194095805989,
"volume": 407.96627613430303,
"volume_molar": 9.099371630421487,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -187.11545254,
"energy_per_atom": -6.930201945925926,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.12345254,
"band_gap": 2.0298,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.179000Z",
"spacegroup": 1
},
{
"id": "mp-1234180",
"created_at": "2022-09-04T14:48:20.961538Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.687685 0.184094 -1.020631\n-1.377660 7.057968 -2.735532\n0.215595 -0.239491 9.902404\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.152956 0.827056 0.066353 Sr\n0.859271 0.179606 0.975833 Sr\n0.456103 0.436683 0.947036 Mg\n0.052464 0.305420 0.610162 Zn\n0.010739 0.681795 0.410928 Zn\n0.634043 0.791160 0.521722 Sn\n0.471785 0.128909 0.488161 Sn\n0.346042 0.424636 0.192093 P\n0.618014 0.569071 0.762042 P\n0.784346 0.978398 0.266906 P\n0.222969 0.019774 0.756275 P\n0.734783 0.597005 0.922593 O\n0.597321 0.433663 0.155028 O\n0.646265 0.751888 0.733964 O\n0.027949 0.140930 0.726945 O\n0.347095 0.496169 0.754940 O\n0.241557 0.858927 0.607663 O\n0.819995 0.173784 0.409237 O\n0.150028 0.945841 0.868861 O\n0.238589 0.231069 0.180215 O\n0.801878 0.003741 0.123663 O\n0.193897 0.475821 0.065991 O\n0.325832 0.582302 0.349819 O\n0.725796 0.409619 0.649428 O\n0.527085 0.887512 0.255891 O\n0.978520 0.859834 0.294072 O\n0.463250 0.161240 0.822927 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.9597393670977565,
"density_atomic": 0.06793989114060396,
"volume": 397.4101157171795,
"volume_molar": 8.863924652950901,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.34401518,
"energy_per_atom": -6.864593154814815,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.35201518,
"band_gap": 1.278,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:59.039000Z",
"spacegroup": 1
},
{
"id": "mp-1233908",
"created_at": "2022-09-04T14:40:16.919893Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.244805 0.027275 -1.113131\n-1.301053 6.900996 -2.191959\n0.235020 0.931896 10.728448\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.218850 0.780719 0.016094 Sr\n0.773680 0.191631 0.946759 Sr\n0.428877 0.025638 0.330165 Mg\n0.026137 0.431746 0.694009 Zn\n0.966483 0.567868 0.259308 Zn\n0.667989 0.892078 0.608509 Sn\n0.256741 0.299918 0.506233 Sn\n0.350547 0.373282 0.209854 P\n0.619173 0.606684 0.783145 P\n0.819388 0.941321 0.221611 P\n0.199442 0.029579 0.754856 P\n0.855394 0.535596 0.856111 O\n0.624863 0.436339 0.194984 O\n0.679122 0.824576 0.796701 O\n0.965639 0.146260 0.733858 O\n0.379578 0.560358 0.836551 O\n0.090819 0.833101 0.661264 O\n0.834041 0.122289 0.329460 O\n0.266784 0.036735 0.901466 O\n0.311231 0.159746 0.193599 O\n0.817032 0.958360 0.081707 O\n0.145882 0.435017 0.108761 O\n0.285138 0.475876 0.345993 O\n0.595829 0.512447 0.634764 O\n0.563450 0.817892 0.220655 O\n0.056926 0.836171 0.263055 O\n0.439062 0.122473 0.716777 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.909232798697513,
"density_atomic": 0.0670733162373388,
"volume": 402.5445812826751,
"volume_molar": 8.978444928368633,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.88588613,
"energy_per_atom": -6.884662449259259,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.89388613,
"band_gap": 2.2433,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:54.230000Z",
"spacegroup": 1
},
{
"id": "mp-1233636",
"created_at": "2022-09-04T14:41:09.785172Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.314331 0.623539 -1.043143\n-0.780281 7.673504 -2.720983\n0.216016 -0.092669 9.868805\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.145743 0.736383 0.031729 Sr\n0.856547 0.243556 0.998109 Sr\n0.089299 0.723900 0.700864 Mg\n0.985194 0.269796 0.582686 Zn\n0.914078 0.659929 0.363537 Zn\n0.524863 0.855060 0.481951 Sn\n0.387045 0.208225 0.464750 Sn\n0.390154 0.451481 0.246387 P\n0.636935 0.548854 0.775420 P\n0.759487 0.963754 0.241163 P\n0.251556 0.044053 0.771876 P\n0.767463 0.511805 0.911364 O\n0.671787 0.464607 0.242428 O\n0.776479 0.694187 0.754697 O\n0.039937 0.172184 0.742839 O\n0.355730 0.591840 0.780249 O\n0.248127 0.876563 0.624782 O\n0.762721 0.125795 0.388751 O\n0.161960 0.963002 0.876120 O\n0.332680 0.284113 0.275271 O\n0.821820 0.013654 0.116220 O\n0.228222 0.455589 0.104882 O\n0.303104 0.612150 0.378093 O\n0.655947 0.384070 0.629342 O\n0.504346 0.878531 0.215402 O\n0.969899 0.830802 0.268936 O\n0.506496 0.121299 0.813403 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 3.864596171784054,
"density_atomic": 0.06630745583789364,
"volume": 407.1940275616778,
"volume_molar": 9.082147224473124,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.65826763,
"energy_per_atom": -6.876232134444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.66626763,
"band_gap": 0.9307000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:20.974000Z",
"spacegroup": 1
},
{
"id": "mp-1233286",
"created_at": "2022-09-04T14:41:51.093234Z",
"structure_string": "Sr2 Mg1 Zn2 Sn2 P4 O16\n1.0\n5.835905 0.333480 -1.021151\n-1.198528 6.883693 -2.698317\n0.136996 -0.303671 9.549458\nSr Mg Zn Sn P O\n2 1 2 2 4 16\ndirect\n0.159851 0.810629 0.037060 Sr\n0.840149 0.189371 0.962940 Sr\n0.500000 0.500000 0.000000 Mg\n0.979443 0.295996 0.571763 Zn\n0.020557 0.704004 0.428237 Zn\n0.610182 0.820987 0.527170 Sn\n0.389818 0.179013 0.472830 Sn\n0.374301 0.402999 0.221812 P\n0.625699 0.597001 0.778188 P\n0.772618 0.936218 0.235015 P\n0.227382 0.063782 0.764985 P\n0.792156 0.570297 0.910807 O\n0.616078 0.416268 0.181030 O\n0.685314 0.788032 0.757530 O\n0.012556 0.160793 0.720486 O\n0.383922 0.583732 0.818970 O\n0.257428 0.882219 0.617865 O\n0.742572 0.117781 0.382135 O\n0.172236 0.000621 0.890300 O\n0.314686 0.211968 0.242470 O\n0.827764 0.999379 0.109700 O\n0.207844 0.429702 0.089193 O\n0.344611 0.577125 0.378833 O\n0.655389 0.422875 0.621167 O\n0.549135 0.791569 0.177317 O\n0.987444 0.839207 0.279514 O\n0.450865 0.208431 0.822683 O\n",
"nsites": 27,
"nelements": 6,
"elements": [
"Sr",
"Mg",
"Zn",
"Sn",
"P",
"O"
],
"chemical_system": "Mg-O-P-Sn-Sr-Zn",
"density": 4.1073359300088335,
"density_atomic": 0.07047230387974228,
"volume": 383.1292367860464,
"volume_molar": 8.545400715544227,
"formula_full": "Sr2 Mg1 Zn2 Sn2 P4 O16",
"formula_reduced": "Sr2MgZn2Sn2(PO4)4",
"formula_anonymous": "AB2C2D2E4F16",
"energy": -185.50999397,
"energy_per_atom": -6.870740517407408,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.51799397,
"band_gap": 0.2589000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:25.543000Z",
"spacegroup": 2
}
]
}