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=-is_stable&page=114",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=112",
"results": [
{
"id": "mp-800160",
"created_at": "2022-09-04T14:40:18.478264Z",
"structure_string": "Li2 Mn2 P4 O14\n1.0\n8.141965 0.000000 0.000000\n-0.898993 6.097672 0.000000\n-1.142991 -1.984585 5.498787\nLi Mn P O\n2 2 4 14\ndirect\n0.000000 0.000000 0.000000 Li\n0.000000 0.500000 0.000000 Li\n0.366037 0.225193 0.681061 Mn\n0.633963 0.774807 0.318939 Mn\n0.822091 0.209419 0.533725 P\n0.444701 0.321426 0.228632 P\n0.555299 0.678574 0.771368 P\n0.177909 0.790581 0.466275 P\n0.802668 0.050362 0.365402 O\n0.683896 0.182761 0.707544 O\n0.412063 0.202638 0.998767 O\n0.285471 0.214190 0.342617 O\n0.724183 0.349154 0.390726 O\n0.083004 0.310315 0.689364 O\n0.608108 0.505792 0.792482 O\n0.391892 0.494208 0.207518 O\n0.916996 0.689685 0.310636 O\n0.275817 0.650846 0.609274 O\n0.714529 0.785810 0.657383 O\n0.587937 0.797362 0.001233 O\n0.316104 0.817239 0.292456 O\n0.197332 0.949638 0.634598 O\n",
"nsites": 22,
"nelements": 4,
"elements": [
"Li",
"Mn",
"P",
"O"
],
"chemical_system": "Li-Mn-O-P",
"density": 2.8688239842120957,
"density_atomic": 0.08058653689470653,
"volume": 272.9984541803174,
"volume_molar": 7.472886901528555,
"formula_full": "Li2 Mn2 P4 O14",
"formula_reduced": "LiMnP2O7",
"formula_anonymous": "ABC2D7",
"energy": -117.77627902,
"energy_per_atom": -5.3534672281818185,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -104.82227902,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0009505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.511000Z",
"spacegroup": 2
},
{
"id": "mp-697709",
"created_at": "2022-09-04T14:40:18.479625Z",
"structure_string": "V4 Ni2 H16 O20\n1.0\n5.220766 6.605919 0.000000\n-5.220766 6.605919 0.000000\n0.000000 2.751302 6.475554\nV Ni H O\n4 2 16 20\ndirect\n0.860342 0.926568 0.199934 V\n0.073432 0.139658 0.300066 V\n0.139658 0.073432 0.800066 V\n0.926568 0.860342 0.699934 V\n0.000000 0.500000 0.500000 Ni\n0.500000 0.000000 0.000000 Ni\n0.410840 0.365704 0.337697 H\n0.634296 0.589160 0.162303 H\n0.589160 0.634296 0.662303 H\n0.365704 0.410840 0.837697 H\n0.734815 0.663859 0.344640 H\n0.336141 0.265185 0.155360 H\n0.265185 0.336141 0.655360 H\n0.663859 0.734815 0.844640 H\n0.539118 0.164375 0.581489 H\n0.835625 0.460882 0.918511 H\n0.460882 0.835625 0.418511 H\n0.164375 0.539118 0.081489 H\n0.319678 0.494039 0.791076 H\n0.505961 0.680322 0.708924 H\n0.680322 0.505961 0.208924 H\n0.494039 0.319678 0.291076 H\n0.900398 0.977998 0.427188 O\n0.022002 0.099602 0.072812 O\n0.099602 0.022002 0.572812 O\n0.977998 0.900398 0.927188 O\n0.998217 0.338221 0.313169 O\n0.661779 0.001783 0.186831 O\n0.001783 0.661779 0.686831 O\n0.338221 0.998217 0.813169 O\n0.161177 0.306476 0.652251 O\n0.693524 0.838823 0.847749 O\n0.838823 0.693524 0.347749 O\n0.306476 0.161177 0.152251 O\n0.625614 0.173047 0.797011 O\n0.826953 0.374386 0.702989 O\n0.374386 0.826953 0.202989 O\n0.173047 0.625614 0.297011 O\n0.421766 0.747948 0.384921 O\n0.252052 0.578234 0.115079 O\n0.578234 0.252052 0.615079 O\n0.747948 0.421766 0.884921 O\n",
"nsites": 42,
"nelements": 4,
"elements": [
"V",
"Ni",
"H",
"O"
],
"chemical_system": "H-Ni-O-V",
"density": 2.443526667072583,
"density_atomic": 0.094031831055422,
"volume": 446.65725987240813,
"volume_molar": 6.40436402482748,
"formula_full": "V4 Ni2 H16 O20",
"formula_reduced": "V2Ni(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy": -247.49768267,
"energy_per_atom": -5.892801968333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -221.87568267000003,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.8289505,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.344000Z",
"spacegroup": 15
},
{
"id": "mp-631571",
"created_at": "2022-09-04T14:40:18.488892Z",
"structure_string": "Bi2 Os1 Au1\n1.0\n0.000000 3.531366 3.531366\n3.531366 0.000000 3.531366\n3.531366 3.531366 0.000000\nBi Os Au\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Bi\n0.250000 0.250000 0.250000 Bi\n0.500000 0.500000 0.500000 Os\n0.000000 0.000000 0.000000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Bi",
"Os",
"Au"
],
"chemical_system": "Au-Bi-Os",
"density": 15.179996797059784,
"density_atomic": 0.04541525967445235,
"volume": 88.07612306244586,
"volume_molar": 13.26017026692828,
"formula_full": "Bi2 Os1 Au1",
"formula_reduced": "Bi2OsAu",
"formula_anonymous": "ABC2",
"energy": -19.46490585,
"energy_per_atom": -4.8662264625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.46490585,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1393176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.181000Z",
"spacegroup": 225
},
{
"id": "mp-1202141",
"created_at": "2022-09-04T14:40:18.490908Z",
"structure_string": "Tm24 Ga16\n1.0\n-5.730507 5.730507 7.354513\n5.730507 -5.730507 7.354513\n5.730507 5.730507 -7.354513\nTm Ga\n24 16\ndirect\n0.146359 0.646359 0.500000 Tm\n0.646359 0.146359 0.500000 Tm\n0.853641 0.353641 0.500000 Tm\n0.353641 0.853641 0.500000 Tm\n0.668980 0.168980 0.837960 Tm\n0.331020 0.831020 0.162040 Tm\n0.168980 0.331020 0.500000 Tm\n0.831020 0.668980 0.500000 Tm\n0.067535 0.931077 0.271315 Tm\n0.659762 0.796220 0.728685 Tm\n0.567535 0.296220 0.136458 Tm\n0.159762 0.431077 0.863542 Tm\n0.796220 0.067535 0.136458 Tm\n0.931077 0.659762 0.863542 Tm\n0.431077 0.567535 0.271315 Tm\n0.296220 0.159762 0.728685 Tm\n0.932465 0.068923 0.728685 Tm\n0.340238 0.203780 0.271315 Tm\n0.432465 0.703780 0.863542 Tm\n0.840238 0.568923 0.136458 Tm\n0.203780 0.932465 0.863542 Tm\n0.068923 0.340238 0.136458 Tm\n0.568923 0.432465 0.728685 Tm\n0.703780 0.840238 0.271315 Tm\n0.750000 0.750000 0.000000 Ga\n0.250000 0.250000 0.000000 Ga\n0.000000 0.000000 0.000000 Ga\n0.500000 0.500000 0.000000 Ga\n0.117643 0.617643 0.735286 Ga\n0.882357 0.382357 0.264714 Ga\n0.617643 0.882357 0.500000 Ga\n0.382357 0.117643 0.500000 Ga\n0.877921 0.377921 0.854663 Ga\n0.523258 0.023258 0.145337 Ga\n0.377921 0.523258 0.500000 Ga\n0.023258 0.877921 0.500000 Ga\n0.122079 0.622079 0.145337 Ga\n0.476742 0.976742 0.854663 Ga\n0.622079 0.476742 0.500000 Ga\n0.976742 0.122079 0.500000 Ga\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Tm",
"Ga"
],
"chemical_system": "Ga-Tm",
"density": 8.886663054829258,
"density_atomic": 0.04140568609125533,
"volume": 966.0508924267723,
"volume_molar": 14.544236138794101,
"formula_full": "Tm24 Ga16",
"formula_reduced": "Tm3Ga2",
"formula_anonymous": "A2B3",
"energy": -177.62736093999996,
"energy_per_atom": -4.440684023499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -177.62736093999996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0023315,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.356000Z",
"spacegroup": 140
},
{
"id": "mp-984762",
"created_at": "2022-09-04T14:40:18.496383Z",
"structure_string": "Cs1 Y1\n1.0\n1.921708 -3.328495 0.000000\n1.921708 3.328495 0.000000\n0.000000 0.000000 7.510495\nCs Y\n1 1\ndirect\n0.333333 0.666667 0.500000 Cs\n0.000000 0.000000 0.000000 Y\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Cs",
"Y"
],
"chemical_system": "Cs-Y",
"density": 3.8335303363139213,
"density_atomic": 0.020815944997607555,
"volume": 96.08019238280397,
"volume_molar": 28.93042213885627,
"formula_full": "Cs1 Y1",
"formula_reduced": "CsY",
"formula_anonymous": "AB",
"energy": -5.9281093,
"energy_per_atom": -2.96405465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -5.9281093,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001833,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.913000Z",
"spacegroup": 187
},
{
"id": "mp-18300",
"created_at": "2022-09-04T14:40:18.499219Z",
"structure_string": "Ca12 Al4 Sb12\n1.0\n4.523918 0.000000 0.000000\n0.000000 12.969188 0.000000\n0.000000 0.000000 14.348025\nCa Al Sb\n12 4 12\ndirect\n0.250000 0.058122 0.887918 Ca\n0.750000 0.941878 0.112082 Ca\n0.250000 0.558122 0.612082 Ca\n0.750000 0.441878 0.387918 Ca\n0.250000 0.849978 0.496658 Ca\n0.750000 0.150022 0.503342 Ca\n0.250000 0.349978 0.003342 Ca\n0.750000 0.650022 0.996658 Ca\n0.750000 0.227564 0.220702 Ca\n0.250000 0.772436 0.779298 Ca\n0.750000 0.727564 0.279298 Ca\n0.250000 0.272436 0.720702 Ca\n0.250000 0.067859 0.296599 Al\n0.750000 0.932141 0.703401 Al\n0.250000 0.567859 0.203401 Al\n0.750000 0.432141 0.796599 Al\n0.250000 0.256608 0.381466 Sb\n0.750000 0.743392 0.618534 Sb\n0.250000 0.756608 0.118534 Sb\n0.750000 0.243392 0.881466 Sb\n0.250000 0.114183 0.109273 Sb\n0.750000 0.885817 0.890727 Sb\n0.250000 0.614183 0.390727 Sb\n0.750000 0.385817 0.609273 Sb\n0.250000 0.040094 0.649582 Sb\n0.750000 0.959906 0.350418 Sb\n0.250000 0.540094 0.850418 Sb\n0.750000 0.459906 0.149582 Sb\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ca",
"Al",
"Sb"
],
"chemical_system": "Al-Ca-Sb",
"density": 4.043705726280378,
"density_atomic": 0.033261236976679785,
"volume": 841.8207663061793,
"volume_molar": 18.1055826763817,
"formula_full": "Ca12 Al4 Sb12",
"formula_reduced": "Ca3AlSb3",
"formula_anonymous": "AB3C3",
"energy": -114.28015896,
"energy_per_atom": -4.081434248571428,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.97615896,
"band_gap": 0.2534,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0033622,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:04.155000Z",
"spacegroup": 62
},
{
"id": "mp-1350658",
"created_at": "2022-09-04T14:40:18.500443Z",
"structure_string": "Li2 V4 P8 H4 O32\n1.0\n7.747294 0.000000 0.000000\n-1.898118 9.073497 0.000000\n-1.906452 -4.679185 7.830870\nLi V P H O\n2 4 8 4 32\ndirect\n0.652386 0.632639 0.460190 Li\n0.347322 0.369267 0.042225 Li\n0.499623 0.000752 0.248557 V\n0.005115 0.498360 0.499307 V\n0.985225 0.504001 0.996545 V\n0.502806 0.998408 0.755121 V\n0.732209 0.346770 0.259686 P\n0.730888 0.350156 0.754702 P\n0.772412 0.854882 0.643656 P\n0.772663 0.854386 0.146012 P\n0.234545 0.150760 0.355662 P\n0.232298 0.153099 0.852178 P\n0.262064 0.655679 0.740585 P\n0.260272 0.652527 0.240571 P\n0.486182 0.509028 0.757494 H\n0.489318 0.508464 0.254097 H\n0.012236 0.008938 0.486422 H\n0.011493 0.006476 0.984850 H\n0.947515 0.947642 0.116687 O\n0.648638 0.946224 0.172435 O\n0.356358 0.174833 0.010693 O\n0.312825 0.826498 0.224207 O\n0.843511 0.447626 0.628979 O\n0.851325 0.444358 0.133494 O\n0.685503 0.173088 0.271830 O\n0.643047 0.824096 0.492415 O\n0.558777 0.454697 0.680789 O\n0.553269 0.445415 0.182967 O\n0.350583 0.057151 0.325640 O\n0.185614 0.326376 0.190787 O\n0.185394 0.329222 0.695247 O\n0.950933 0.944920 0.622509 O\n0.863687 0.338239 0.930148 O\n0.862261 0.332922 0.431409 O\n0.138230 0.672195 0.566702 O\n0.137639 0.660324 0.067607 O\n0.052488 0.057252 0.376719 O\n0.826214 0.671543 0.809792 O\n0.808433 0.676225 0.305122 O\n0.651394 0.940741 0.676279 O\n0.441987 0.549463 0.822833 O\n0.445810 0.556831 0.315132 O\n0.363466 0.162231 0.518271 O\n0.323645 0.829751 0.729873 O\n0.156442 0.553412 0.871581 O\n0.148079 0.552240 0.363854 O\n0.679595 0.171007 0.775119 O\n0.637389 0.842101 0.980636 O\n0.352870 0.057059 0.828274 O\n0.053555 0.053482 0.875649 O\n",
"nsites": 50,
"nelements": 5,
"elements": [
"Li",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-O-P-V",
"density": 2.960621002002221,
"density_atomic": 0.09083124204071566,
"volume": 550.4713893220484,
"volume_molar": 6.630032381700273,
"formula_full": "Li2 V4 P8 H4 O32",
"formula_reduced": "LiV2P4(HO8)2",
"formula_anonymous": "AB2C2D4E16",
"energy": -211.24777392,
"energy_per_atom": -4.2249554784,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -182.46377392,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0570856,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.605000Z",
"spacegroup": 1
},
{
"id": "mp-570826",
"created_at": "2022-09-04T14:40:18.509507Z",
"structure_string": "V1 Sn1 Rh2\n1.0\n0.000000 3.160543 3.160543\n3.160543 0.000000 3.160543\n3.160543 3.160543 0.000000\nV Sn Rh\n1 1 2\ndirect\n0.500000 0.500000 0.500000 V\n0.000000 0.000000 0.000000 Sn\n0.250000 0.250000 0.250000 Rh\n0.750000 0.750000 0.750000 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"V",
"Sn",
"Rh"
],
"chemical_system": "Rh-Sn-V",
"density": 9.874169071033334,
"density_atomic": 0.06334974710321328,
"volume": 63.14153067545725,
"volume_molar": 9.506179638236535,
"formula_full": "V1 Sn1 Rh2",
"formula_reduced": "VSnRh2",
"formula_anonymous": "ABC2",
"energy": -29.11905568,
"energy_per_atom": -7.27976392,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.11905568,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.7633732,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:52.751000Z",
"spacegroup": 225
},
{
"id": "mp-775863",
"created_at": "2022-09-04T14:40:18.512097Z",
"structure_string": "Zr12 N12 O6\n1.0\n1.664692 6.902436 0.000000\n-1.664692 6.902436 0.000000\n0.000000 2.967135 16.379740\nZr N O\n12 12 6\ndirect\n0.029073 0.029073 0.099275 Zr\n0.030635 0.030635 0.595848 Zr\n0.634953 0.634953 0.262092 Zr\n0.697288 0.697288 0.431853 Zr\n0.629746 0.629746 0.763602 Zr\n0.307684 0.307684 0.063681 Zr\n0.694192 0.694192 0.935546 Zr\n0.364164 0.364164 0.239512 Zr\n0.301832 0.301832 0.568282 Zr\n0.370958 0.370958 0.737738 Zr\n0.962459 0.962459 0.405268 Zr\n0.970442 0.970442 0.904217 Zr\n0.532882 0.532882 0.176480 N\n0.171108 0.171108 0.018883 N\n0.534763 0.534763 0.670376 N\n0.121757 0.121757 0.354671 N\n0.171454 0.171454 0.515369 N\n0.127851 0.127851 0.856186 N\n0.800304 0.800304 0.313712 N\n0.872704 0.872704 0.137243 N\n0.827985 0.827985 0.486210 N\n0.873416 0.873416 0.643619 N\n0.827850 0.827850 0.979029 N\n0.467147 0.467147 0.827675 N\n0.213642 0.213642 0.191298 O\n0.208326 0.208326 0.689932 O\n0.789821 0.789821 0.807938 O\n0.468402 0.468402 0.329964 O\n0.497148 0.497148 0.494379 O\n0.500035 0.500035 0.000126 O\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Zr",
"N",
"O"
],
"chemical_system": "N-O-Zr",
"density": 5.994046456430554,
"density_atomic": 0.0796981011616102,
"volume": 376.4205114393705,
"volume_molar": 7.556191016130265,
"formula_full": "Zr12 N12 O6",
"formula_reduced": "Zr2N2O",
"formula_anonymous": "AB2C2",
"energy": -300.32583441,
"energy_per_atom": -10.010861147000002,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -291.87183441,
"band_gap": 1.6522999999999994,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0007176,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.507000Z",
"spacegroup": 8
},
{
"id": "mp-1246893",
"created_at": "2022-09-04T14:40:18.515978Z",
"structure_string": "Sm1 Mg2 Mn3 S8\n1.0\n6.499502 0.052848 3.841274\n2.216508 6.106801 3.840992\n0.075958 0.053345 7.550965\nSm Mg Mn S\n1 2 3 8\ndirect\n0.500014 0.500005 0.499979 Sm\n0.874188 0.874159 0.874240 Mg\n0.125809 0.125842 0.125768 Mg\n0.499941 0.499996 0.000011 Mn\n0.000010 0.500008 0.499993 Mn\n0.500047 0.000009 0.499999 Mn\n0.740392 0.740302 0.740298 S\n0.241542 0.241711 0.721522 S\n0.241660 0.721442 0.241642 S\n0.721482 0.241754 0.241540 S\n0.758319 0.278570 0.758356 S\n0.278516 0.758245 0.758442 S\n0.259603 0.259666 0.259732 S\n0.758481 0.758287 0.278480 S\n",
"nsites": 14,
"nelements": 4,
"elements": [
"Sm",
"Mg",
"Mn",
"S"
],
"chemical_system": "Mg-Mn-S-Sm",
"density": 3.4777691295661293,
"density_atomic": 0.0472688471289565,
"volume": 296.1781564463779,
"volume_molar": 12.740189629695635,
"formula_full": "Sm1 Mg2 Mn3 S8",
"formula_reduced": "SmMg2Mn3S8",
"formula_anonymous": "AB2C3D8",
"energy": -86.13709161,
"energy_per_atom": -6.152649400714286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -82.11309161,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.0002628,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:52.707000Z",
"spacegroup": 166
},
{
"id": "mp-1096642",
"created_at": "2022-09-04T14:40:18.788819Z",
"structure_string": "Y1 Mn1 Au2\n1.0\n-5.434706 6.326437 9.019437\n5.434706 -6.326437 9.019437\n5.434706 6.326437 -9.019437\nY Mn Au\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Y\n0.000000 0.000000 0.000000 Mn\n0.000000 0.244424 0.244424 Au\n0.000000 0.755576 0.755576 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Y",
"Mn",
"Au"
],
"chemical_system": "Au-Mn-Y",
"density": 0.7199074779116836,
"density_atomic": 0.003224670375730952,
"volume": 1240.4368614244179,
"volume_molar": 186.75213458476145,
"formula_full": "Y1 Mn1 Au2",
"formula_reduced": "YMnAu2",
"formula_anonymous": "ABC2",
"energy": -15.83717958,
"energy_per_atom": -3.959294895,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.83717958,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.3586165,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.598000Z",
"spacegroup": 71
},
{
"id": "mp-757466",
"created_at": "2022-09-04T14:40:18.526490Z",
"structure_string": "Li18 Si12 Bi6 O42\n1.0\n4.527931 -7.842607 0.000000\n4.527931 7.842607 0.000000\n0.000000 0.000000 13.864741\nLi Si Bi O\n18 12 6 42\ndirect\n0.313481 0.985718 0.087992 Li\n0.313044 0.984343 0.413286 Li\n0.014282 0.327763 0.087992 Li\n0.015657 0.328700 0.413286 Li\n0.000000 0.000000 0.499597 Li\n0.000000 0.000000 0.999597 Li\n0.333333 0.666667 0.251720 Li\n0.333333 0.666667 0.762227 Li\n0.327763 0.313481 0.587992 Li\n0.328700 0.313044 0.913286 Li\n0.672237 0.686519 0.087992 Li\n0.671300 0.686956 0.413286 Li\n0.666667 0.333333 0.262227 Li\n0.666667 0.333333 0.751720 Li\n0.984343 0.671300 0.913286 Li\n0.985718 0.672237 0.587992 Li\n0.686519 0.014282 0.587992 Li\n0.686956 0.015657 0.913286 Li\n0.325625 0.980384 0.859096 Si\n0.325338 0.979992 0.641174 Si\n0.020008 0.345345 0.641174 Si\n0.019616 0.345241 0.859096 Si\n0.345241 0.325625 0.359096 Si\n0.345345 0.325338 0.141174 Si\n0.654655 0.674662 0.641174 Si\n0.654759 0.674375 0.859096 Si\n0.980384 0.654759 0.359096 Si\n0.979992 0.654655 0.141174 Si\n0.674375 0.019616 0.359096 Si\n0.674662 0.020008 0.141174 Si\n0.333333 0.666667 0.022084 Bi\n0.000000 0.000000 0.250165 Bi\n0.000000 0.000000 0.750165 Bi\n0.333333 0.666667 0.480583 Bi\n0.666667 0.333333 0.522084 Bi\n0.666667 0.333333 0.980583 Bi\n0.087462 0.863042 0.136341 O\n0.086477 0.863151 0.364691 O\n0.099950 0.567245 0.128953 O\n0.101618 0.568889 0.371622 O\n0.233768 0.825732 0.561841 O\n0.234718 0.822750 0.936453 O\n0.292579 0.881233 0.750148 O\n0.118767 0.411346 0.750148 O\n0.174268 0.408036 0.561841 O\n0.177250 0.411968 0.936453 O\n0.467295 0.900050 0.128953 O\n0.467271 0.898382 0.371622 O\n0.136958 0.224420 0.136341 O\n0.136849 0.223326 0.364691 O\n0.432755 0.532705 0.128953 O\n0.431111 0.532729 0.371622 O\n0.223326 0.086477 0.864691 O\n0.224420 0.087462 0.636341 O\n0.591964 0.766232 0.561841 O\n0.588032 0.765282 0.936453 O\n0.588654 0.707421 0.750148 O\n0.411346 0.292579 0.250148 O\n0.408036 0.233768 0.061841 O\n0.411968 0.234718 0.436453 O\n0.775580 0.912538 0.136341 O\n0.776674 0.913523 0.364691 O\n0.567245 0.467295 0.628953 O\n0.568889 0.467271 0.871622 O\n0.863042 0.775580 0.636341 O\n0.863151 0.776674 0.864691 O\n0.532729 0.101618 0.871622 O\n0.532705 0.099950 0.628953 O\n0.822750 0.588032 0.436453 O\n0.825732 0.591964 0.061841 O\n0.881233 0.588654 0.250148 O\n0.707421 0.118767 0.250148 O\n0.765282 0.177250 0.436453 O\n0.766232 0.174268 0.061841 O\n0.900050 0.432755 0.628953 O\n0.898382 0.431111 0.871622 O\n0.912538 0.136958 0.636341 O\n0.913523 0.136849 0.864691 O\n",
"nsites": 78,
"nelements": 4,
"elements": [
"Li",
"Si",
"Bi",
"O"
],
"chemical_system": "Bi-Li-O-Si",
"density": 4.026696447505228,
"density_atomic": 0.07921229443049511,
"volume": 984.6956278793458,
"volume_molar": 7.602532919033334,
"formula_full": "Li18 Si12 Bi6 O42",
"formula_reduced": "Li3Si2BiO7",
"formula_anonymous": "AB2C3D7",
"energy": -536.77412535,
"energy_per_atom": -6.88171955576923,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -507.92012535,
"band_gap": 3.4200000000000004,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.674000Z",
"spacegroup": 173
}
]
}