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=-created_at&page=112",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=110",
"results": [
{
"id": "mp-864952",
"created_at": "2022-09-04T14:48:27.423243Z",
"structure_string": "Mg6 Ag2\n1.0\n3.083771 -5.341248 0.000000\n3.083771 5.341248 0.000000\n0.000000 0.000000 4.916206\nMg Ag\n6 2\ndirect\n0.170451 0.340902 0.250000 Mg\n0.170451 0.829549 0.250000 Mg\n0.659098 0.829549 0.250000 Mg\n0.340902 0.170451 0.750000 Mg\n0.829549 0.170451 0.750000 Mg\n0.829549 0.659098 0.750000 Mg\n0.666667 0.333333 0.250000 Ag\n0.333333 0.666667 0.750000 Ag\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Mg",
"Ag"
],
"chemical_system": "Ag-Mg",
"density": 3.7072530507272017,
"density_atomic": 0.04939750975120228,
"volume": 161.9514837952998,
"volume_molar": 12.191182896326929,
"formula_full": "Mg6 Ag2",
"formula_reduced": "Mg3Ag",
"formula_anonymous": "AB3",
"energy": -16.21699331,
"energy_per_atom": -2.02712416375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.21699331,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013543,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:22.145000Z",
"spacegroup": 194
},
{
"id": "mp-20529",
"created_at": "2022-09-04T14:48:27.420824Z",
"structure_string": "Ba6 Na2 Ir4 O18\n1.0\n5.156375 2.990372 0.000000\n-5.156375 2.990372 0.000000\n0.000000 0.571413 14.862755\nBa Na Ir O\n6 2 4 18\ndirect\n0.328044 0.660010 0.584748 Ba\n0.998575 0.001425 0.750000 Ba\n0.339990 0.671956 0.915252 Ba\n0.671956 0.339990 0.415252 Ba\n0.001425 0.998575 0.250000 Ba\n0.660010 0.328044 0.084748 Ba\n0.000000 0.000000 0.000000 Na\n0.000000 0.000000 0.500000 Na\n0.684150 0.347712 0.842550 Ir\n0.347712 0.684150 0.342550 Ir\n0.315850 0.652288 0.157450 Ir\n0.652288 0.315850 0.657450 Ir\n0.146168 0.329960 0.097944 O\n0.670040 0.853832 0.402056 O\n0.853832 0.670040 0.902056 O\n0.329960 0.146168 0.597944 O\n0.794125 0.142777 0.590737 O\n0.857223 0.205875 0.909263 O\n0.205875 0.857223 0.409263 O\n0.142777 0.794125 0.090737 O\n0.794425 0.610558 0.576903 O\n0.389442 0.205575 0.923097 O\n0.205575 0.389442 0.423097 O\n0.610558 0.794425 0.076903 O\n0.035849 0.519207 0.260392 O\n0.480793 0.964151 0.239608 O\n0.964151 0.480793 0.739608 O\n0.519207 0.035849 0.760392 O\n0.481282 0.518718 0.250000 O\n0.518718 0.481282 0.750000 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Ba",
"Na",
"Ir",
"O"
],
"chemical_system": "Ba-Ir-Na-O",
"density": 6.980498281962434,
"density_atomic": 0.06545189552313098,
"volume": 458.35188973859243,
"volume_molar": 9.200865325392677,
"formula_full": "Ba6 Na2 Ir4 O18",
"formula_reduced": "Ba3NaIr2O9",
"formula_anonymous": "AB2C3D9",
"energy": -203.01535215,
"energy_per_atom": -6.767178405,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -190.64935215,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.0151791,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:44.342000Z",
"spacegroup": 15
},
{
"id": "mp-22480",
"created_at": "2022-09-04T14:48:27.416998Z",
"structure_string": "Gd2 Sc2 Si2\n1.0\n-2.106395 2.106395 7.786770\n2.106395 -2.106395 7.786770\n2.106395 2.106395 -7.786770\nGd Sc Si\n2 2 2\ndirect\n0.677875 0.677875 0.000000 Gd\n0.322125 0.322125 0.000000 Gd\n0.000000 0.500000 0.500000 Sc\n0.500000 0.000000 0.500000 Sc\n0.874954 0.874954 0.000000 Si\n0.125046 0.125046 0.000000 Si\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Gd",
"Sc",
"Si"
],
"chemical_system": "Gd-Sc-Si",
"density": 5.534263931464773,
"density_atomic": 0.04341644717058229,
"volume": 138.19647601348237,
"volume_molar": 13.87064385148591,
"formula_full": "Gd2 Sc2 Si2",
"formula_reduced": "GdScSi",
"formula_anonymous": "ABC",
"energy": -55.49351116999999,
"energy_per_atom": -9.248918528333332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.63551117,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9165881,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:43.403000Z",
"spacegroup": 139
},
{
"id": "mp-1095660",
"created_at": "2022-09-04T14:48:27.416276Z",
"structure_string": "Eu2 In8 Cu2\n1.0\n2.299333 -8.509590 0.000000\n2.299333 8.509590 0.000000\n0.000000 0.000000 7.424515\nEu In Cu\n2 8 2\ndirect\n0.878873 0.121127 0.750000 Eu\n0.121127 0.878873 0.250000 Eu\n0.500000 0.500000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.072665 0.927335 0.750000 In\n0.927335 0.072665 0.250000 In\n0.685425 0.314575 0.949847 In\n0.314575 0.685425 0.050153 In\n0.685425 0.314575 0.550153 In\n0.314575 0.685425 0.449847 In\n0.229883 0.770117 0.750000 Cu\n0.770117 0.229883 0.250000 Cu\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"In",
"Cu"
],
"chemical_system": "Cu-Eu-In",
"density": 7.713189286928678,
"density_atomic": 0.041302149384951546,
"volume": 290.5417799968591,
"volume_molar": 14.580695798350314,
"formula_full": "Eu2 In8 Cu2",
"formula_reduced": "EuIn4Cu",
"formula_anonymous": "ABC4",
"energy": -53.94807749,
"energy_per_atom": -4.495673124166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.94807749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9120999,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:38.396000Z",
"spacegroup": 63
},
{
"id": "mp-1112129",
"created_at": "2022-09-04T14:48:27.412677Z",
"structure_string": "Cs2 Rb1 Bi1 Cl6\n1.0\n0.000000 5.856959 5.856959\n5.856959 0.000000 5.856959\n5.856959 5.856959 0.000000\nCs Rb Bi Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.500000 0.500000 0.500000 Rb\n0.000000 0.000000 0.000000 Bi\n0.767697 0.232303 0.232303 Cl\n0.232303 0.232303 0.767697 Cl\n0.232303 0.767697 0.767697 Cl\n0.232303 0.767697 0.232303 Cl\n0.767697 0.232303 0.767697 Cl\n0.767697 0.767697 0.232303 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"Rb",
"Bi",
"Cl"
],
"chemical_system": "Bi-Cl-Cs-Rb",
"density": 3.1942520347626333,
"density_atomic": 0.02488590578988456,
"volume": 401.8338767506195,
"volume_molar": 24.199001679287225,
"formula_full": "Cs2 Rb1 Bi1 Cl6",
"formula_reduced": "Cs2RbBiCl6",
"formula_anonymous": "ABC2D6",
"energy": -37.53247951,
"energy_per_atom": -3.753247951,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.84847951,
"band_gap": 4.131600000000001,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0035806,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:24.760000Z",
"spacegroup": 225
},
{
"id": "mp-1246358",
"created_at": "2022-09-04T14:48:27.412648Z",
"structure_string": "Mo2 C3 N6\n1.0\n6.872150 -0.209192 0.115057\n0.813436 3.040761 0.000000\n0.575104 -0.153847 5.122306\nMo C N\n2 3 6\ndirect\n0.261148 0.869426 0.939889 Mo\n0.738852 0.130574 0.060111 Mo\n0.655138 0.672431 0.584403 C\n0.344862 0.327569 0.415597 C\n0.000000 0.000000 0.500000 C\n0.314211 0.342895 0.653101 N\n0.685789 0.657105 0.346899 N\n0.388725 0.305637 0.169448 N\n0.611275 0.694363 0.830552 N\n0.020875 0.989562 0.257080 N\n0.979125 0.010438 0.742920 N\n",
"nsites": 11,
"nelements": 3,
"elements": [
"Mo",
"C",
"N"
],
"chemical_system": "C-Mo-N",
"density": 4.8099795650938795,
"density_atomic": 0.10214065228594882,
"volume": 107.6946323899014,
"volume_molar": 5.8959294122585595,
"formula_full": "Mo2 C3 N6",
"formula_reduced": "Mo2(CN2)3",
"formula_anonymous": "A2B3C6",
"energy": -97.82398697,
"energy_per_atom": -8.893089724545455,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -95.65798697,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9941015,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:15.752000Z",
"spacegroup": 12
},
{
"id": "mp-17942",
"created_at": "2022-09-04T14:48:27.412046Z",
"structure_string": "Mg4 Ni8 P4\n1.0\n5.024815 0.000000 0.000000\n0.000000 6.348281 0.000000\n0.000000 0.000000 6.430954\nMg Ni P\n4 8 4\ndirect\n0.126288 0.750000 0.518230 Mg\n0.626288 0.250000 0.981770 Mg\n0.873712 0.250000 0.481770 Mg\n0.373712 0.750000 0.018230 Mg\n0.600169 0.947077 0.675322 Ni\n0.600169 0.552923 0.675322 Ni\n0.899831 0.947077 0.175322 Ni\n0.399831 0.052923 0.324678 Ni\n0.100169 0.052923 0.824678 Ni\n0.399831 0.447077 0.324678 Ni\n0.899831 0.552923 0.175322 Ni\n0.100169 0.447077 0.824678 Ni\n0.122698 0.250000 0.125658 P\n0.377302 0.250000 0.625658 P\n0.877302 0.750000 0.874342 P\n0.622698 0.750000 0.374342 P\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Ni",
"P"
],
"chemical_system": "Mg-Ni-P",
"density": 5.5906614434158195,
"density_atomic": 0.07799528701708264,
"volume": 205.1406003095502,
"volume_molar": 7.721159816593818,
"formula_full": "Mg4 Ni8 P4",
"formula_reduced": "MgNi2P",
"formula_anonymous": "ABC2",
"energy": -83.31773001,
"energy_per_atom": -5.207358125625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -83.31773001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006936,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:13.743000Z",
"spacegroup": 62
},
{
"id": "mp-1247606",
"created_at": "2022-09-04T14:48:27.406030Z",
"structure_string": "Sr4 Ca28 Mn28 Cr4 O88\n1.0\n10.871132 -0.033179 -0.070619\n-0.045033 15.621740 -0.001717\n-0.069094 -0.001863 10.846883\nSr Ca Mn Cr O\n4 28 28 4 88\ndirect\n0.002860 0.113477 0.500576 Sr\n0.499572 0.386415 0.999830 Sr\n0.240883 0.387170 0.258604 Sr\n0.232455 0.118697 0.243303 Sr\n0.993958 0.109884 0.007008 Ca\n0.018105 0.628551 0.496861 Ca\n0.016432 0.628796 0.996269 Ca\n0.536653 0.127146 0.483136 Ca\n0.546511 0.126888 0.982278 Ca\n0.521810 0.624973 0.499221 Ca\n0.522888 0.624448 0.997897 Ca\n0.493884 0.392167 0.501372 Ca\n0.494835 0.857189 0.000765 Ca\n0.495174 0.857354 0.501228 Ca\n0.965805 0.387615 0.000746 Ca\n0.964317 0.388387 0.501079 Ca\n0.968844 0.871671 0.007103 Ca\n0.970283 0.873297 0.508919 Ca\n0.233998 0.398300 0.743190 Ca\n0.224266 0.871326 0.254601 Ca\n0.223836 0.870787 0.749737 Ca\n0.740651 0.392877 0.251654 Ca\n0.733554 0.386544 0.750540 Ca\n0.742569 0.861435 0.253439 Ca\n0.741612 0.862443 0.749665 Ca\n0.224689 0.106944 0.733821 Ca\n0.268786 0.630236 0.258500 Ca\n0.269156 0.630109 0.756319 Ca\n0.776532 0.113486 0.248892 Ca\n0.781420 0.121612 0.754443 Ca\n0.772106 0.626105 0.254212 Ca\n0.770786 0.624812 0.756926 Ca\n0.992909 0.992344 0.755736 Mn\n0.002126 0.503918 0.249886 Mn\n0.000432 0.503091 0.749123 Mn\n0.507912 0.983220 0.232508 Mn\n0.508944 0.984298 0.735369 Mn\n0.500074 0.506857 0.251366 Mn\n0.496948 0.505434 0.750720 Mn\n0.245364 0.993456 0.509559 Mn\n0.248982 0.512160 0.004499 Mn\n0.248786 0.507733 0.503380 Mn\n0.745180 0.996330 0.995397 Mn\n0.742275 0.998168 0.497484 Mn\n0.751146 0.504753 0.001801 Mn\n0.748380 0.504779 0.503044 Mn\n0.264299 0.241968 0.470839 Mn\n0.250812 0.753412 0.004759 Mn\n0.251258 0.752042 0.504605 Mn\n0.757484 0.249728 0.004562 Mn\n0.747927 0.251811 0.505790 Mn\n0.750641 0.747268 0.001204 Mn\n0.750477 0.746723 0.502064 Mn\n0.992428 0.255759 0.760073 Mn\n0.002281 0.749607 0.251767 Mn\n0.001764 0.748685 0.750777 Mn\n0.528046 0.257691 0.258399 Mn\n0.514794 0.254161 0.749170 Mn\n0.500271 0.746658 0.253485 Mn\n0.500361 0.746465 0.754141 Mn\n0.992390 0.992318 0.253766 Cr\n0.235141 0.990887 0.009613 Cr\n0.261280 0.234004 0.935746 Cr\n0.979878 0.255003 0.269627 Cr\n0.108140 0.778354 0.106315 O\n0.107603 0.775835 0.605037 O\n0.589238 0.251463 0.097462 O\n0.582363 0.258149 0.584416 O\n0.611070 0.764816 0.112164 O\n0.610306 0.764710 0.612476 O\n0.404711 0.209130 0.354454 O\n0.395684 0.187454 0.853259 O\n0.398277 0.728821 0.399415 O\n0.398241 0.728749 0.900330 O\n0.905824 0.244172 0.423004 O\n0.916680 0.239669 0.925589 O\n0.893440 0.728815 0.392875 O\n0.893617 0.730253 0.893589 O\n0.146223 0.245239 0.337400 O\n0.177131 0.250044 0.790681 O\n0.148816 0.734754 0.354298 O\n0.148076 0.735346 0.854731 O\n0.660916 0.218132 0.350226 O\n0.658463 0.226444 0.855598 O\n0.644734 0.725940 0.358271 O\n0.644558 0.725541 0.858450 O\n0.358309 0.775637 0.148775 O\n0.357504 0.772709 0.649712 O\n0.849878 0.278273 0.154759 O\n0.845985 0.273734 0.655806 O\n0.860284 0.768752 0.142324 O\n0.860012 0.768498 0.641537 O\n0.361456 0.487979 0.139246 O\n0.355373 0.492814 0.643633 O\n0.350931 0.995051 0.158473 O\n0.349455 0.991391 0.666212 O\n0.860665 0.484187 0.142399 O\n0.856504 0.481085 0.644133 O\n0.840903 0.976431 0.144907 O\n0.844628 0.980161 0.647202 O\n0.144396 0.008322 0.365069 O\n0.141452 0.011098 0.861156 O\n0.146673 0.521795 0.355358 O\n0.148616 0.517505 0.853992 O\n0.624551 0.029016 0.344206 O\n0.631607 0.029003 0.842853 O\n0.643342 0.522963 0.358626 O\n0.641571 0.517736 0.858123 O\n0.394431 0.516878 0.395052 O\n0.391443 0.517795 0.894468 O\n0.878884 0.013076 0.391775 O\n0.885926 0.013947 0.893974 O\n0.894227 0.519609 0.395070 O\n0.895245 0.518528 0.894872 O\n0.108078 0.479028 0.104295 O\n0.105863 0.479152 0.604985 O\n0.095696 0.980729 0.107380 O\n0.098665 0.981685 0.618855 O\n0.615094 0.489627 0.115356 O\n0.608033 0.486269 0.611662 O\n0.587218 0.992816 0.077357 O\n0.584097 0.992519 0.578928 O\n0.007291 0.381557 0.287290 O\n0.013259 0.377609 0.785008 O\n0.002664 0.869683 0.294625 O\n0.000441 0.871813 0.791340 O\n0.502788 0.379319 0.277563 O\n0.485978 0.377599 0.768500 O\n0.517472 0.869186 0.290169 O\n0.517900 0.869295 0.790511 O\n0.485496 0.627625 0.211675 O\n0.488300 0.627424 0.713516 O\n0.992054 0.128651 0.223712 O\n0.000475 0.131196 0.729118 O\n0.994413 0.626419 0.211070 O\n0.994030 0.624978 0.713664 O\n0.217509 0.138420 0.019778 O\n0.255046 0.124476 0.526086 O\n0.234744 0.635552 0.042290 O\n0.236481 0.632426 0.539455 O\n0.755947 0.123255 0.035321 O\n0.746872 0.125279 0.540087 O\n0.745994 0.625802 0.037022 O\n0.744433 0.625172 0.541297 O\n0.277404 0.358637 0.501080 O\n0.275271 0.329032 0.016429 O\n0.282284 0.879747 0.464426 O\n0.280784 0.880622 0.961031 O\n0.743595 0.377250 0.467397 O\n0.747640 0.376481 0.968018 O\n0.746155 0.872878 0.467887 O\n0.746410 0.872839 0.963422 O\n",
"nsites": 152,
"nelements": 5,
"elements": [
"Sr",
"Ca",
"Mn",
"Cr",
"O"
],
"chemical_system": "Ca-Cr-Mn-O-Sr",
"density": 4.171077023656322,
"density_atomic": 0.08251943782945295,
"volume": 1841.990251001782,
"volume_molar": 7.297845111895041,
"formula_full": "Sr4 Ca28 Mn28 Cr4 O88",
"formula_reduced": "SrCa7Mn7CrO22",
"formula_anonymous": "ABC7D7E22",
"energy": -1176.63055139,
"energy_per_atom": -7.740990469671052,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1061.47455139,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 107.9999994,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:50.602000Z",
"spacegroup": 1
},
{
"id": "mp-5984",
"created_at": "2022-09-04T14:48:27.386588Z",
"structure_string": "Y2 B8 Rh8\n1.0\n5.347098 0.000000 0.000000\n0.000000 5.347098 0.000000\n0.000000 0.000000 7.470892\nY B Rh\n2 8 8\ndirect\n0.000000 0.000000 0.500000 Y\n0.500000 0.500000 0.000000 Y\n0.168808 0.500000 0.649778 B\n0.500000 0.831192 0.350222 B\n0.831192 0.500000 0.649778 B\n0.500000 0.168808 0.350222 B\n0.000000 0.331192 0.149778 B\n0.000000 0.668808 0.149778 B\n0.331192 0.000000 0.850222 B\n0.668808 0.000000 0.850222 B\n0.748635 0.500000 0.355117 Rh\n0.500000 0.251365 0.644883 Rh\n0.000000 0.248635 0.855117 Rh\n0.000000 0.751365 0.855117 Rh\n0.248635 0.000000 0.144883 Rh\n0.751365 0.000000 0.144883 Rh\n0.500000 0.748635 0.644883 Rh\n0.251365 0.500000 0.355117 Rh\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Y",
"B",
"Rh"
],
"chemical_system": "B-Rh-Y",
"density": 8.454483259902709,
"density_atomic": 0.08426820813841934,
"volume": 213.60368753104515,
"volume_molar": 7.146397073150061,
"formula_full": "Y2 B8 Rh8",
"formula_reduced": "Y(BRh)4",
"formula_anonymous": "AB4C4",
"energy": -135.64692549,
"energy_per_atom": -7.5359403050000004,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.64692549,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002143,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:48.756000Z",
"spacegroup": 137
},
{
"id": "mp-7889",
"created_at": "2022-09-04T14:48:27.379856Z",
"structure_string": "Sr2 Y1 Re1 O6\n1.0\n0.000000 4.178143 4.178143\n4.178143 0.000000 4.178143\n4.178143 4.178143 0.000000\nSr Y Re O\n2 1 1 6\ndirect\n0.250000 0.250000 0.250000 Sr\n0.750000 0.750000 0.750000 Sr\n0.500000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Re\n0.764296 0.235704 0.764296 O\n0.235704 0.235704 0.764296 O\n0.764296 0.764296 0.235704 O\n0.764296 0.235704 0.235704 O\n0.235704 0.764296 0.235704 O\n0.235704 0.764296 0.764296 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Sr",
"Y",
"Re",
"O"
],
"chemical_system": "O-Re-Sr-Y",
"density": 6.219272029991636,
"density_atomic": 0.06855199600307614,
"volume": 145.87467299349342,
"volume_molar": 8.78477814085788,
"formula_full": "Sr2 Y1 Re1 O6",
"formula_reduced": "Sr2YReO6",
"formula_anonymous": "ABC2D6",
"energy": -81.92016464,
"energy_per_atom": -8.192016464,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -77.79816464,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0002989,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:21.722000Z",
"spacegroup": 225
},
{
"id": "mp-1039355",
"created_at": "2022-09-04T14:48:27.379540Z",
"structure_string": "Ce2 Mg4\n1.0\n1.571153 -2.721316 0.000000\n1.571153 2.721316 0.000000\n0.000000 0.000000 17.085246\nCe Mg\n2 4\ndirect\n0.000000 0.000000 0.172871 Ce\n0.000000 0.000000 0.827129 Ce\n0.000000 0.000000 0.500000 Mg\n0.666667 0.333333 0.343890 Mg\n0.666667 0.333333 0.000000 Mg\n0.666667 0.333333 0.656110 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ce",
"Mg"
],
"chemical_system": "Ce-Mg",
"density": 4.290047909849088,
"density_atomic": 0.041067906471577494,
"volume": 146.09948535244945,
"volume_molar": 14.66386109593348,
"formula_full": "Ce2 Mg4",
"formula_reduced": "CeMg2",
"formula_anonymous": "AB2",
"energy": -18.20234478,
"energy_per_atom": -3.03372413,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.20234478,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0236282,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:39.309000Z",
"spacegroup": 187
},
{
"id": "mp-9939",
"created_at": "2022-09-04T14:48:27.378862Z",
"structure_string": "Hf4 Ge2\n1.0\n-3.320305 3.320305 2.648973\n3.320305 -3.320305 2.648973\n3.320305 3.320305 -2.648973\nHf Ge\n4 2\ndirect\n0.155020 0.344980 0.500000 Hf\n0.344980 0.844980 0.189960 Hf\n0.844980 0.655020 0.500000 Hf\n0.655020 0.155020 0.810040 Hf\n0.250000 0.250000 0.000000 Ge\n0.750000 0.750000 0.000000 Ge\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Hf",
"Ge"
],
"chemical_system": "Ge-Hf",
"density": 12.214342731881771,
"density_atomic": 0.05136387359598798,
"volume": 116.81361976696124,
"volume_molar": 11.724467682029315,
"formula_full": "Hf4 Ge2",
"formula_reduced": "Hf2Ge",
"formula_anonymous": "AB2",
"energy": -52.98046844000001,
"energy_per_atom": -8.830078073333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -52.98046844000001,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019349,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:23.223000Z",
"spacegroup": 140
}
]
}