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=-energy_above_hull&page=11573",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_above_hull&page=11571",
"results": [
{
"id": "mp-34433",
"created_at": "2022-09-04T14:40:14.827750Z",
"structure_string": "Mg4 Tc2 O8\n1.0\n-3.028112 3.084952 4.314787\n3.028112 -3.084952 4.314787\n3.028112 3.084952 -4.314787\nMg Tc O\n4 2 8\ndirect\n0.612814 0.862814 0.750000 Mg\n0.387186 0.137186 0.250000 Mg\n0.000000 0.500000 0.000000 Mg\n0.000000 0.000000 0.500000 Mg\n0.500000 0.500000 0.000000 Tc\n0.000000 0.500000 0.500000 Tc\n0.246816 0.724875 0.978059 O\n0.247601 0.265240 0.982360 O\n0.246816 0.268757 0.521941 O\n0.782880 0.265240 0.517640 O\n0.217120 0.734760 0.482360 O\n0.752399 0.734760 0.017640 O\n0.753184 0.731243 0.478059 O\n0.753184 0.275125 0.021941 O\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Mg",
"Tc",
"O"
],
"chemical_system": "Mg-O-Tc",
"density": 4.33823859791247,
"density_atomic": 0.08683370613066974,
"volume": 161.22771471866486,
"volume_molar": 6.935257088920883,
"formula_full": "Mg4 Tc2 O8",
"formula_reduced": "Mg2TcO4",
"formula_anonymous": "AB2C4",
"energy": -101.68625082,
"energy_per_atom": -7.26330363,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -96.19025082,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9321505,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:57.313000Z",
"spacegroup": 74
},
{
"id": "mp-1220375",
"created_at": "2022-09-04T14:40:14.829067Z",
"structure_string": "Nb1 Al1 V2\n1.0\n1.578410 -2.224067 0.000000\n1.578410 2.224067 0.000000\n0.000000 0.000000 8.743968\nNb Al V\n1 1 2\ndirect\n0.500000 0.500000 0.745570 Nb\n0.000000 0.000000 0.015587 Al\n0.000000 0.000000 0.479375 V\n0.500000 0.500000 0.259468 V\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Al",
"V"
],
"chemical_system": "Al-Nb-V",
"density": 5.9985660837435235,
"density_atomic": 0.0651558997094747,
"volume": 61.39121733926938,
"volume_molar": 9.242663806120822,
"formula_full": "Nb1 Al1 V2",
"formula_reduced": "NbAlV2",
"formula_anonymous": "ABC2",
"energy": -32.27110183,
"energy_per_atom": -8.0677754575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.27110183,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.9e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:50.471000Z",
"spacegroup": 35
},
{
"id": "mp-631637",
"created_at": "2022-09-04T14:40:14.830451Z",
"structure_string": "Mg2 Pb1 W1\n1.0\n0.000000 3.446583 3.446583\n3.446583 0.000000 3.446583\n3.446583 3.446583 0.000000\nMg Pb W\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Mg\n0.500000 0.500000 0.500000 Mg\n0.750000 0.750000 0.750000 Pb\n0.000000 0.000000 0.000000 W\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mg",
"Pb",
"W"
],
"chemical_system": "Mg-Pb-W",
"density": 8.91579254440127,
"density_atomic": 0.04884991034495428,
"volume": 81.88346655610927,
"volume_molar": 12.32784403794106,
"formula_full": "Mg2 Pb1 W1",
"formula_reduced": "Mg2PbW",
"formula_anonymous": "ABC2",
"energy": -16.78488827,
"energy_per_atom": -4.1962220675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.78488827,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2773143,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:53.250000Z",
"spacegroup": 216
},
{
"id": "mp-555090",
"created_at": "2022-09-04T14:40:14.847253Z",
"structure_string": "Li4 B4 S16 Cl16 O48\n1.0\n8.633715 0.000000 0.000000\n0.000000 9.055733 0.000000\n0.000000 0.585562 21.283746\nLi B S Cl O\n4 4 16 16 48\ndirect\n0.249678 0.088744 0.438457 Li\n0.750322 0.911256 0.561543 Li\n0.749678 0.911256 0.061543 Li\n0.250322 0.088744 0.938457 Li\n0.744904 0.349177 0.088413 B\n0.255096 0.650823 0.911587 B\n0.755096 0.349177 0.588413 B\n0.244904 0.650823 0.411587 B\n0.981264 0.811060 0.438715 S\n0.178692 0.397772 0.350486 S\n0.893550 0.225358 0.986738 S\n0.018736 0.188940 0.561285 S\n0.321308 0.397772 0.850486 S\n0.374429 0.852562 0.327968 S\n0.393550 0.774642 0.513262 S\n0.106450 0.774642 0.013262 S\n0.606450 0.225358 0.486738 S\n0.821308 0.602228 0.649514 S\n0.125571 0.852562 0.827968 S\n0.625571 0.147438 0.672032 S\n0.874429 0.147438 0.172032 S\n0.518736 0.811060 0.938715 S\n0.678692 0.602228 0.149514 S\n0.481264 0.188940 0.061285 S\n0.671685 0.753173 0.872131 Cl\n0.828315 0.753173 0.372131 Cl\n0.200530 0.641651 0.081083 Cl\n0.749037 0.061065 0.744901 Cl\n0.250963 0.938935 0.255099 Cl\n0.750963 0.061065 0.244901 Cl\n0.700530 0.358349 0.418917 Cl\n0.176020 0.428496 0.776283 Cl\n0.249037 0.938935 0.755099 Cl\n0.823980 0.571504 0.223717 Cl\n0.171685 0.246827 0.627869 Cl\n0.676020 0.571504 0.723717 Cl\n0.299470 0.641651 0.581083 Cl\n0.328315 0.246827 0.127869 Cl\n0.323980 0.428496 0.276283 Cl\n0.799470 0.358349 0.918917 Cl\n0.406231 0.677252 0.942814 O\n0.245014 0.733834 0.851098 O\n0.192943 0.245565 0.370029 O\n0.093769 0.677252 0.442814 O\n0.556150 0.056820 0.084578 O\n0.030734 0.457274 0.333146 O\n0.299000 0.905325 0.509314 O\n0.799000 0.094675 0.990686 O\n0.201000 0.905325 0.009314 O\n0.601345 0.810296 0.997052 O\n0.944427 0.786990 0.026489 O\n0.745014 0.266166 0.648902 O\n0.692943 0.754435 0.129971 O\n0.489930 0.215057 0.696948 O\n0.989930 0.784943 0.803052 O\n0.758932 0.509762 0.097961 O\n0.307057 0.245565 0.870029 O\n0.258932 0.490238 0.402039 O\n0.056150 0.943180 0.415422 O\n0.701000 0.094675 0.490686 O\n0.510070 0.784943 0.303052 O\n0.530734 0.542726 0.166854 O\n0.807057 0.754435 0.629971 O\n0.555573 0.786990 0.526489 O\n0.101345 0.189704 0.502948 O\n0.469266 0.457274 0.833146 O\n0.741068 0.509762 0.597961 O\n0.943850 0.056820 0.584578 O\n0.254986 0.733834 0.351098 O\n0.391693 0.966054 0.373709 O\n0.969266 0.542726 0.666854 O\n0.620827 0.318563 0.546463 O\n0.891693 0.033946 0.126291 O\n0.906231 0.322748 0.557186 O\n0.398655 0.189704 0.002948 O\n0.608307 0.033946 0.626291 O\n0.879173 0.318563 0.046463 O\n0.241068 0.490238 0.902039 O\n0.379173 0.681437 0.453537 O\n0.754986 0.266166 0.148902 O\n0.108307 0.966054 0.873709 O\n0.444427 0.213010 0.473511 O\n0.010070 0.215057 0.196948 O\n0.443850 0.943180 0.915422 O\n0.898655 0.810296 0.497052 O\n0.593769 0.322748 0.057186 O\n0.120827 0.681437 0.953537 O\n0.055573 0.213010 0.973511 O\n",
"nsites": 88,
"nelements": 5,
"elements": [
"Li",
"B",
"S",
"Cl",
"O"
],
"chemical_system": "B-Cl-Li-O-S",
"density": 1.9152045008540213,
"density_atomic": 0.05288265938810669,
"volume": 1664.0615471730832,
"volume_molar": 11.387741898158737,
"formula_full": "Li4 B4 S16 Cl16 O48",
"formula_reduced": "LiBS4(ClO3)4",
"formula_anonymous": "ABC4D4E12",
"energy": -519.47100131,
"energy_per_atom": -5.90307956034091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -476.67100131,
"band_gap": 4.514,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000863,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:50.762000Z",
"spacegroup": 14
},
{
"id": "mp-1346704",
"created_at": "2022-09-04T14:40:14.850913Z",
"structure_string": "Li6 Cr6 Co2 O16\n1.0\n5.090220 0.000000 0.000000\n-1.671519 5.616915 0.000000\n-0.829417 -3.285162 9.995221\nLi Cr Co O\n6 6 2 16\ndirect\n0.500000 0.000000 0.500000 Li\n0.502644 0.867161 0.252958 Li\n0.500000 0.500000 0.500000 Li\n0.506641 0.261039 0.002693 Li\n0.497356 0.132839 0.747042 Li\n0.493359 0.738961 0.997307 Li\n0.000709 0.809983 0.623836 Cr\n0.009143 0.063388 0.127572 Cr\n0.999291 0.190017 0.376164 Cr\n0.005163 0.562795 0.128652 Cr\n0.990857 0.936612 0.872428 Cr\n0.994837 0.437205 0.871348 Cr\n0.992328 0.684572 0.375819 Co\n0.007672 0.315428 0.624181 Co\n0.785416 0.996411 0.682430 O\n0.773281 0.848164 0.438226 O\n0.787468 0.463666 0.682901 O\n0.773475 0.097064 0.944320 O\n0.789373 0.739227 0.189864 O\n0.791290 0.352774 0.450312 O\n0.789824 0.218306 0.188395 O\n0.778430 0.595516 0.945707 O\n0.208710 0.647226 0.549688 O\n0.214584 0.003589 0.317570 O\n0.212532 0.536334 0.317099 O\n0.226719 0.151836 0.561774 O\n0.226525 0.902936 0.055680 O\n0.221570 0.404484 0.054293 O\n0.210176 0.781694 0.811605 O\n0.210627 0.260773 0.810136 O\n",
"nsites": 30,
"nelements": 4,
"elements": [
"Li",
"Cr",
"Co",
"O"
],
"chemical_system": "Co-Cr-Li-O",
"density": 4.22710451188941,
"density_atomic": 0.10497707042927874,
"volume": 285.7766927322523,
"volume_molar": 5.7366248985363075,
"formula_full": "Li6 Cr6 Co2 O16",
"formula_reduced": "Li3Cr3CoO8",
"formula_anonymous": "AB3C3D8",
"energy": -193.96303395,
"energy_per_atom": -6.465434465,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.70103395,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0201293,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.730000Z",
"spacegroup": 2
},
{
"id": "mp-1080233",
"created_at": "2022-09-04T14:40:14.856062Z",
"structure_string": "Cs1 Sr1 Cl3\n1.0\n4.057377 4.046457 0.000000\n-4.057377 4.046457 0.000000\n0.000000 0.022385 5.729760\nCs Sr Cl\n1 1 3\ndirect\n0.998012 0.998012 0.004173 Cs\n0.499947 0.499947 0.512781 Sr\n0.999889 0.495765 0.517200 Cl\n0.507107 0.507107 0.013017 Cl\n0.495765 0.999889 0.517200 Cl\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Cs",
"Sr",
"Cl"
],
"chemical_system": "Cl-Cs-Sr",
"density": 2.885071907266964,
"density_atomic": 0.026575612625960313,
"volume": 188.14241727454154,
"volume_molar": 22.660402395078894,
"formula_full": "Cs1 Sr1 Cl3",
"formula_reduced": "CsSrCl3",
"formula_anonymous": "ABC3",
"energy": -21.39100906,
"energy_per_atom": -4.278201812,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.54900906,
"band_gap": 5.0049,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003337,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.789000Z",
"spacegroup": 8
},
{
"id": "mp-29868",
"created_at": "2022-09-04T14:40:14.856808Z",
"structure_string": "Li1 Au1 C2\n1.0\n1.933964 -3.349724 0.000000\n1.933964 3.349724 0.000000\n0.000000 0.000000 5.244862\nLi Au C\n1 1 2\ndirect\n0.000000 0.000000 0.500000 Li\n0.666667 0.333333 0.000000 Au\n0.666667 0.333333 0.381003 C\n0.666667 0.333333 0.618997 C\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"Au",
"C"
],
"chemical_system": "Au-C-Li",
"density": 5.5696403417338525,
"density_atomic": 0.058862475058336035,
"volume": 67.95500862027589,
"volume_molar": 10.230865681457871,
"formula_full": "Li1 Au1 C2",
"formula_reduced": "LiAuC2",
"formula_anonymous": "ABC2",
"energy": -22.72954047,
"energy_per_atom": -5.6823851175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.72954047,
"band_gap": 2.0689,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004253,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.402000Z",
"spacegroup": 187
},
{
"id": "mp-865843",
"created_at": "2022-09-04T14:40:14.915898Z",
"structure_string": "Yb1 Nd1 Zn2\n1.0\n0.000000 3.653413 3.653413\n3.653413 0.000000 3.653413\n3.653413 3.653413 0.000000\nYb Nd Zn\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Nd\n0.250000 0.250000 0.250000 Zn\n0.750000 0.750000 0.750000 Zn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Yb",
"Nd",
"Zn"
],
"chemical_system": "Nd-Yb-Zn",
"density": 7.629529143985114,
"density_atomic": 0.04101414724702401,
"volume": 97.52732333817424,
"volume_molar": 14.68308172721296,
"formula_full": "Yb1 Nd1 Zn2",
"formula_reduced": "YbNdZn2",
"formula_anonymous": "ABC2",
"energy": -10.17952839,
"energy_per_atom": -2.5448820975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.17952839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.003957,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:47.448000Z",
"spacegroup": 225
},
{
"id": "mp-1009540",
"created_at": "2022-09-04T14:40:16.099792Z",
"structure_string": "Os1 C1\n1.0\n0.000000 2.306215 2.306215\n2.306215 0.000000 2.306215\n2.306215 2.306215 0.000000\nOs C\n1 1\ndirect\n0.000000 0.000000 0.000000 Os\n0.250000 0.250000 0.250000 C\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Os",
"C"
],
"chemical_system": "C-Os",
"density": 13.689521998378321,
"density_atomic": 0.08152684246033595,
"volume": 24.53179762202897,
"volume_molar": 7.386696918784588,
"formula_full": "Os1 C1",
"formula_reduced": "OsC",
"formula_anonymous": "AB",
"energy": -19.02208127,
"energy_per_atom": -9.511040635,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.02208127,
"band_gap": 0.1453000000000006,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0014257,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:56.009000Z",
"spacegroup": 216
},
{
"id": "mp-561131",
"created_at": "2022-09-04T14:40:14.827781Z",
"structure_string": "Na4 Gd4 P16 O48\n1.0\n13.240728 0.000000 0.000000\n0.000000 7.283702 0.000000\n0.000000 7.214406 9.904173\nNa Gd P O\n4 4 16 48\ndirect\n0.721476 0.935835 0.063103 Na\n0.221476 0.064165 0.436897 Na\n0.778524 0.935835 0.563103 Na\n0.278524 0.064165 0.936897 Na\n0.219513 0.464344 0.522915 Gd\n0.780487 0.535656 0.477085 Gd\n0.280487 0.464344 0.022915 Gd\n0.719513 0.535656 0.977085 Gd\n0.898011 0.006250 0.743945 P\n0.101989 0.993750 0.256055 P\n0.398011 0.993750 0.756055 P\n0.114543 0.886678 0.736447 P\n0.872380 0.342686 0.803695 P\n0.372380 0.657314 0.696305 P\n0.627620 0.342686 0.303695 P\n0.408585 0.432782 0.299128 P\n0.127620 0.657314 0.196305 P\n0.591415 0.567218 0.700872 P\n0.908585 0.567218 0.200872 P\n0.601989 0.006250 0.243945 P\n0.385457 0.886678 0.236447 P\n0.091415 0.432782 0.799128 P\n0.614543 0.113322 0.763553 P\n0.885457 0.113322 0.263553 P\n0.208730 0.674883 0.104844 O\n0.646935 0.902822 0.897014 O\n0.666086 0.798140 0.296885 O\n0.661902 0.654282 0.583982 O\n0.875428 0.094353 0.834741 O\n0.312271 0.780472 0.351379 O\n0.987321 0.074305 0.209770 O\n0.791270 0.325117 0.895156 O\n0.353065 0.097178 0.102986 O\n0.853065 0.902822 0.397014 O\n0.080799 0.706340 0.707293 O\n0.580799 0.293660 0.792707 O\n0.291270 0.674883 0.604844 O\n0.609895 0.192228 0.094888 O\n0.109895 0.807772 0.405112 O\n0.338098 0.345718 0.416018 O\n0.161902 0.345718 0.916018 O\n0.387611 0.367969 0.205422 O\n0.708730 0.325117 0.395156 O\n0.146935 0.097178 0.602986 O\n0.487321 0.925695 0.290230 O\n0.890105 0.192228 0.594888 O\n0.390105 0.807772 0.905112 O\n0.812271 0.219528 0.148621 O\n0.520720 0.352906 0.363039 O\n0.419201 0.706340 0.207293 O\n0.687729 0.219528 0.648621 O\n0.133867 0.477219 0.345663 O\n0.366133 0.477219 0.845663 O\n0.375428 0.905647 0.665259 O\n0.124572 0.905647 0.165259 O\n0.633867 0.522781 0.154337 O\n0.333914 0.201860 0.703115 O\n0.187729 0.780472 0.851379 O\n0.112389 0.367969 0.705422 O\n0.979280 0.352906 0.863039 O\n0.479280 0.647094 0.636961 O\n0.833914 0.798140 0.796885 O\n0.612389 0.632031 0.794578 O\n0.512679 0.074305 0.709770 O\n0.166086 0.201860 0.203115 O\n0.624572 0.094353 0.334741 O\n0.866133 0.522781 0.654337 O\n0.919201 0.293660 0.292707 O\n0.838098 0.654282 0.083982 O\n0.012679 0.925695 0.790230 O\n0.887611 0.632031 0.294578 O\n0.020720 0.647094 0.136961 O\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Na",
"Gd",
"P",
"O"
],
"chemical_system": "Gd-Na-O-P",
"density": 3.450009102374866,
"density_atomic": 0.07537897810640634,
"volume": 955.1734688995583,
"volume_molar": 7.989151499903643,
"formula_full": "Na4 Gd4 P16 O48",
"formula_reduced": "NaGd(PO3)4",
"formula_anonymous": "ABC4D12",
"energy": -594.41724752,
"energy_per_atom": -8.255795104444445,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -561.44124752,
"band_gap": 3.3984,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.0000002,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.037000Z",
"spacegroup": 14
},
{
"id": "mp-644292",
"created_at": "2022-09-04T14:40:14.874654Z",
"structure_string": "Eu2 Mg1 H6\n1.0\n2.829920 -4.901565 0.000000\n2.829920 4.901565 0.000000\n0.000000 0.000000 4.218871\nEu Mg H\n2 1 6\ndirect\n0.666667 0.333333 0.740804 Eu\n0.333333 0.666667 0.259196 Eu\n0.000000 0.000000 0.000000 Mg\n0.642618 0.821309 0.760400 H\n0.178691 0.357382 0.760400 H\n0.178691 0.821309 0.760400 H\n0.357382 0.178691 0.239600 H\n0.821309 0.642618 0.239600 H\n0.821309 0.178691 0.239600 H\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Eu",
"Mg",
"H"
],
"chemical_system": "Eu-H-Mg",
"density": 4.742694558335063,
"density_atomic": 0.0768966363103317,
"volume": 117.0402300001616,
"volume_molar": 7.831474884930533,
"formula_full": "Eu2 Mg1 H6",
"formula_reduced": "Eu2MgH6",
"formula_anonymous": "AB2C6",
"energy": -47.26036716,
"energy_per_atom": -5.251151906666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.18636716,
"band_gap": 0.0907,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0008645,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:54.226000Z",
"spacegroup": 164
},
{
"id": "mp-1043268",
"created_at": "2022-09-04T14:40:14.904411Z",
"structure_string": "Ge4 W2 O12\n1.0\n4.580754 5.072162 0.000000\n-4.580754 5.072162 0.000000\n0.000000 1.726589 5.430189\nGe W O\n4 2 12\ndirect\n0.212856 0.387248 0.754768 Ge\n0.612752 0.787144 0.745232 Ge\n0.787144 0.612752 0.245232 Ge\n0.387248 0.212856 0.254768 Ge\n0.095940 0.904060 0.750000 W\n0.904060 0.095940 0.250000 W\n0.387225 0.336608 0.494850 O\n0.663392 0.612775 0.005150 O\n0.612775 0.663392 0.505150 O\n0.336608 0.387225 0.994850 O\n0.626765 0.099304 0.187611 O\n0.900696 0.373235 0.312389 O\n0.373235 0.900696 0.812389 O\n0.099304 0.626765 0.687611 O\n0.042309 0.184126 0.863180 O\n0.815874 0.957691 0.636820 O\n0.957691 0.815874 0.136820 O\n0.184126 0.042309 0.363180 O\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Ge",
"W",
"O"
],
"chemical_system": "Ge-O-W",
"density": 5.5951524687775915,
"density_atomic": 0.0713341479581967,
"volume": 252.33356695517517,
"volume_molar": 8.44215699264972,
"formula_full": "Ge4 W2 O12",
"formula_reduced": "Ge2WO6",
"formula_anonymous": "AB2C6",
"energy": -139.96222742,
"energy_per_atom": -7.775679301111111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -122.84222742,
"band_gap": 2.2472000000000003,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9991145,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.506000Z",
"spacegroup": 15
}
]
}