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=formation_energy_per_atom&page=1760",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=formation_energy_per_atom&page=1758",
"results": [
{
"id": "mp-15120",
"created_at": "2022-09-04T14:39:06.260866Z",
"structure_string": "Rb2 Fe4 Se6\n1.0\n4.842460 -6.070477 0.000000\n4.842460 6.070477 0.000000\n0.000000 0.000000 5.453814\nRb Fe Se\n2 4 6\ndirect\n0.665681 0.334319 0.250000 Rb\n0.334319 0.665681 0.750000 Rb\n0.869135 0.869135 0.000000 Fe\n0.130865 0.130865 0.500000 Fe\n0.130865 0.130865 0.000000 Fe\n0.869135 0.869135 0.500000 Fe\n0.843589 0.618860 0.750000 Se\n0.156411 0.381140 0.250000 Se\n0.870408 0.129592 0.750000 Se\n0.129592 0.870408 0.250000 Se\n0.381140 0.156411 0.750000 Se\n0.618860 0.843589 0.250000 Se\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Rb",
"Fe",
"Se"
],
"chemical_system": "Fe-Rb-Se",
"density": 4.495597991849958,
"density_atomic": 0.03742502231370125,
"volume": 320.64109139106154,
"volume_molar": 16.09121488164164,
"formula_full": "Rb2 Fe4 Se6",
"formula_reduced": "RbFe2Se3",
"formula_anonymous": "AB2C3",
"energy": -65.72341589999999,
"energy_per_atom": -5.476951324999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -62.8914159,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.1149745,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.151000Z",
"spacegroup": 63
},
{
"id": "mp-1036569",
"created_at": "2022-09-04T14:39:06.263791Z",
"structure_string": "Mg14 Al1 Si1 O16\n1.0\n8.643290 0.000000 0.000000\n0.000000 8.643290 0.000000\n0.000000 0.000000 4.300287\nMg Al Si O\n14 1 1 16\ndirect\n0.500000 0.000000 0.000000 Mg\n0.000000 0.500000 0.000000 Mg\n0.249839 0.000000 0.500000 Mg\n0.750161 0.000000 0.500000 Mg\n0.247372 0.500000 0.500000 Mg\n0.752628 0.500000 0.500000 Mg\n0.000000 0.249839 0.500000 Mg\n0.500000 0.247372 0.500000 Mg\n0.000000 0.750161 0.500000 Mg\n0.500000 0.752628 0.500000 Mg\n0.250268 0.250268 0.000000 Mg\n0.749732 0.250268 0.000000 Mg\n0.250268 0.749732 0.000000 Mg\n0.749732 0.749732 0.000000 Mg\n0.000000 0.000000 0.000000 Al\n0.500000 0.500000 0.000000 Si\n0.000000 0.228659 0.000000 O\n0.500000 0.233830 0.000000 O\n0.000000 0.771341 0.000000 O\n0.500000 0.766170 0.000000 O\n0.250919 0.250919 0.500000 O\n0.749081 0.250919 0.500000 O\n0.250919 0.749081 0.500000 O\n0.749081 0.749081 0.500000 O\n0.000000 0.000000 0.500000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n0.500000 0.500000 0.500000 O\n0.228659 0.000000 0.000000 O\n0.771341 0.000000 0.000000 O\n0.233830 0.500000 0.000000 O\n0.766170 0.500000 0.000000 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Mg",
"Al",
"Si",
"O"
],
"chemical_system": "Al-Mg-O-Si",
"density": 3.366610402138357,
"density_atomic": 0.09960803383977673,
"volume": 321.25922745823095,
"volume_molar": 6.045838400632262,
"formula_full": "Mg14 Al1 Si1 O16",
"formula_reduced": "Mg14AlSiO16",
"formula_anonymous": "ABC14D16",
"energy": -200.50714773,
"energy_per_atom": -6.2658483665625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.51514773,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022621,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.979000Z",
"spacegroup": 123
},
{
"id": "mp-1062643",
"created_at": "2022-09-04T14:39:06.271034Z",
"structure_string": "Co1 O2\n1.0\n0.000000 2.366963 9.059589\n1.388587 0.000000 9.059589\n1.388587 2.366963 0.000000\nCo O\n1 2\ndirect\n0.987885 0.012115 0.987885 Co\n0.744370 0.379855 0.620145 O\n0.620145 0.255630 0.744370 O\n",
"nsites": 3,
"nelements": 2,
"elements": [
"Co",
"O"
],
"chemical_system": "Co-O",
"density": 2.5354950158813003,
"density_atomic": 0.05037536420659958,
"volume": 59.552919313821576,
"volume_molar": 11.954535425891873,
"formula_full": "Co1 O2",
"formula_reduced": "CoO2",
"formula_anonymous": "AB2",
"energy": -18.68462858,
"energy_per_atom": -6.228209526666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -15.67262858,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.6573725,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.504000Z",
"spacegroup": 42
},
{
"id": "mp-1095164",
"created_at": "2022-09-04T14:39:06.403648Z",
"structure_string": "Gd2 B4 Ru4\n1.0\n0.000000 4.502488 4.923070\n3.309609 0.000000 4.923070\n3.309609 4.502488 0.000000\nGd B Ru\n2 4 4\ndirect\n0.000000 0.000000 0.000000 Gd\n0.250000 0.250000 0.250000 Gd\n0.313695 0.686305 0.313695 B\n0.686305 0.313695 0.686305 B\n0.563695 0.936305 0.563695 B\n0.936305 0.563695 0.936305 B\n0.637984 0.637984 0.362016 Ru\n0.362016 0.362016 0.637984 Ru\n0.612016 0.612016 0.887984 Ru\n0.887984 0.887984 0.612016 Ru\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Gd",
"B",
"Ru"
],
"chemical_system": "B-Gd-Ru",
"density": 8.624272842201691,
"density_atomic": 0.06815610141718899,
"volume": 146.72200715808543,
"volume_molar": 8.835805796957182,
"formula_full": "Gd2 B4 Ru4",
"formula_reduced": "Gd(BRu)2",
"formula_anonymous": "AB2C2",
"energy": -97.34211385,
"energy_per_atom": -9.734211385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.34211385,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 13.9699168,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.853000Z",
"spacegroup": 70
},
{
"id": "mp-20112",
"created_at": "2022-09-04T14:39:06.640549Z",
"structure_string": "Ni6 Sn2\n1.0\n2.652379 -4.594055 0.000000\n2.652379 4.594055 0.000000\n0.000000 0.000000 4.241633\nNi Sn\n6 2\ndirect\n0.840383 0.680767 0.250000 Ni\n0.159617 0.840383 0.750000 Ni\n0.680767 0.840383 0.750000 Ni\n0.319233 0.159617 0.250000 Ni\n0.840383 0.159617 0.250000 Ni\n0.159617 0.319233 0.750000 Ni\n0.333333 0.666667 0.250000 Sn\n0.666667 0.333333 0.750000 Sn\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Ni",
"Sn"
],
"chemical_system": "Ni-Sn",
"density": 9.471031454649223,
"density_atomic": 0.0773918326755714,
"volume": 103.37008083961794,
"volume_molar": 7.781364714859479,
"formula_full": "Ni6 Sn2",
"formula_reduced": "Ni3Sn",
"formula_anonymous": "AB3",
"energy": -44.18159667,
"energy_per_atom": -5.52269958375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.18159667,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063988,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.193000Z",
"spacegroup": 194
},
{
"id": "mp-1020026",
"created_at": "2022-09-04T14:39:06.814358Z",
"structure_string": "Li2 Be2 B2 O6\n1.0\n4.637602 0.000000 0.000000\n2.270963 4.122615 0.000000\n1.795878 1.576697 5.510993\nLi Be B O\n2 2 2 6\ndirect\n0.743578 0.132770 0.661960 Li\n0.256422 0.867230 0.338040 Li\n0.355919 0.726001 0.845878 Be\n0.644081 0.273999 0.154122 Be\n0.070534 0.400587 0.772218 B\n0.929466 0.599413 0.227782 B\n0.327776 0.097712 0.761344 O\n0.672224 0.902288 0.238656 O\n0.126557 0.687149 0.708795 O\n0.873443 0.312851 0.291205 O\n0.743055 0.421849 0.845512 O\n0.256945 0.578151 0.154488 O\n",
"nsites": 12,
"nelements": 4,
"elements": [
"Li",
"Be",
"B",
"O"
],
"chemical_system": "B-Be-Li-O",
"density": 2.3564927608738877,
"density_atomic": 0.11388987935783847,
"volume": 105.36493732069354,
"volume_molar": 5.287687364281615,
"formula_full": "Li2 Be2 B2 O6",
"formula_reduced": "LiBeBO3",
"formula_anonymous": "ABCD3",
"energy": -88.64314231,
"energy_per_atom": -7.3869285258333335,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -84.52114231,
"band_gap": 5.4653,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006827,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:45.151000Z",
"spacegroup": 2
},
{
"id": "mp-1219769",
"created_at": "2022-09-04T14:39:06.221098Z",
"structure_string": "Rb2 W3 O12\n1.0\n6.154639 -3.701711 0.000000\n6.154639 3.701711 0.000000\n3.928243 0.000000 6.012582\nRb W O\n2 3 12\ndirect\n0.373555 0.373555 0.373555 Rb\n0.626445 0.626445 0.626445 Rb\n0.500000 0.000000 0.000000 W\n0.000000 0.000000 0.500000 W\n0.000000 0.500000 0.000000 W\n0.938874 0.315735 0.315735 O\n0.317478 0.933687 0.933687 O\n0.315735 0.315735 0.938874 O\n0.933687 0.933687 0.317478 O\n0.933687 0.317478 0.933687 O\n0.315735 0.938874 0.315735 O\n0.061126 0.684265 0.684265 O\n0.682522 0.066313 0.066313 O\n0.684265 0.684265 0.061126 O\n0.066313 0.066313 0.682522 O\n0.066313 0.682522 0.066313 O\n0.684265 0.061126 0.684265 O\n",
"nsites": 17,
"nelements": 3,
"elements": [
"Rb",
"W",
"O"
],
"chemical_system": "O-Rb-W",
"density": 5.542582928964802,
"density_atomic": 0.062051576439247594,
"volume": 273.96564238209277,
"volume_molar": 9.705056834286967,
"formula_full": "Rb2 W3 O12",
"formula_reduced": "Rb2(WO4)3",
"formula_anonymous": "A2B3C12",
"energy": -128.55181935,
"energy_per_atom": -7.561871726470588,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -106.99381935,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9764146,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.839000Z",
"spacegroup": 166
},
{
"id": "mp-13511",
"created_at": "2022-09-04T14:39:06.222642Z",
"structure_string": "Tm4 In1 Ni2 Ge4\n1.0\n2.095985 7.672723 0.000000\n-2.095985 7.672723 0.000000\n0.000000 2.230967 6.623989\nTm In Ni Ge\n4 1 2 4\ndirect\n0.343971 0.343971 0.937171 Tm\n0.656029 0.656029 0.062829 Tm\n0.408693 0.408693 0.390973 Tm\n0.591307 0.591307 0.609027 Tm\n0.000000 0.000000 0.000000 In\n0.218104 0.218104 0.362039 Ni\n0.781896 0.781896 0.637961 Ni\n0.066171 0.066171 0.337332 Ge\n0.933829 0.933829 0.662668 Ge\n0.201550 0.201550 0.735549 Ge\n0.798450 0.798450 0.264451 Ge\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Tm",
"In",
"Ni",
"Ge"
],
"chemical_system": "Ge-In-Ni-Tm",
"density": 9.341152063734318,
"density_atomic": 0.0516303889818573,
"volume": 213.05282057559847,
"volume_molar": 11.663946134738893,
"formula_full": "Tm4 In1 Ni2 Ge4",
"formula_reduced": "Tm4In(NiGe2)2",
"formula_anonymous": "AB2C4D4",
"energy": -59.08505612,
"energy_per_atom": -5.371368738181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.08505612,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0030007,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.735000Z",
"spacegroup": 12
},
{
"id": "mp-698301",
"created_at": "2022-09-04T14:39:06.224979Z",
"structure_string": "Zn2 H12 C4 S4 O12\n1.0\n5.539459 4.211944 0.000000\n-5.539459 4.211944 0.000000\n0.000000 4.006740 8.197086\nZn H C S O\n2 12 4 4 12\ndirect\n0.146935 0.857358 0.938594 Zn\n0.857358 0.146935 0.438594 Zn\n0.908860 0.837957 0.667585 H\n0.837957 0.908860 0.167585 H\n0.071539 0.661341 0.258674 H\n0.661341 0.071539 0.758674 H\n0.604316 0.528050 0.790021 H\n0.528050 0.604316 0.290021 H\n0.623701 0.533228 0.589064 H\n0.533228 0.623701 0.089064 H\n0.469033 0.998303 0.176162 H\n0.998303 0.469033 0.676162 H\n0.230815 0.906580 0.356061 H\n0.906580 0.230815 0.856061 H\n0.642802 0.632263 0.663650 C\n0.632263 0.642802 0.163650 C\n0.293590 0.942218 0.224082 C\n0.942218 0.293590 0.724082 C\n0.434039 0.756319 0.669797 S\n0.756319 0.434039 0.169797 S\n0.221533 0.171773 0.126126 S\n0.171773 0.221533 0.626126 S\n0.433647 0.832354 0.816525 O\n0.832354 0.433647 0.316525 O\n0.549721 0.951908 0.510138 O\n0.951908 0.549721 0.010138 O\n0.847741 0.791384 0.589283 O\n0.791384 0.847741 0.089283 O\n0.247725 0.150722 0.959053 O\n0.150722 0.247725 0.459053 O\n0.977000 0.085230 0.226858 O\n0.085230 0.977000 0.726858 O\n0.211586 0.768830 0.177885 O\n0.768830 0.211586 0.677885 O\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Zn",
"H",
"C",
"S",
"O"
],
"chemical_system": "C-H-O-S-Zn",
"density": 2.2192593523587325,
"density_atomic": 0.08888725388611313,
"volume": 382.5070357507335,
"volume_molar": 6.775032973474321,
"formula_full": "Zn2 H12 C4 S4 O12",
"formula_reduced": "ZnH6C2(SO3)2",
"formula_anonymous": "AB2C2D6E6",
"energy": -189.32679251,
"energy_per_atom": -5.5684350738235295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -181.08279251,
"band_gap": 3.517100000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000613,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.102000Z",
"spacegroup": 9
},
{
"id": "mp-866313",
"created_at": "2022-09-04T14:39:06.225390Z",
"structure_string": "Ba6 In2 B6 O18\n1.0\n4.899391 -6.479496 0.000000\n4.899391 6.479496 0.000000\n-3.669811 0.000000 7.247095\nBa In B O\n6 2 6 18\ndirect\n0.156103 0.664969 0.762703 Ba\n0.762703 0.156103 0.664969 Ba\n0.664969 0.762703 0.156103 Ba\n0.843897 0.335031 0.237297 Ba\n0.237297 0.843897 0.335031 Ba\n0.335031 0.237297 0.843897 Ba\n0.000000 0.000000 0.000000 In\n0.500000 0.500000 0.500000 In\n0.134959 0.208001 0.450440 B\n0.450440 0.134959 0.208001 B\n0.208001 0.450440 0.134959 B\n0.865041 0.791999 0.549560 B\n0.549560 0.865041 0.791999 B\n0.791999 0.549560 0.865041 B\n0.323025 0.236501 0.501719 O\n0.501719 0.323025 0.236501 O\n0.236501 0.501719 0.323025 O\n0.676975 0.763499 0.498281 O\n0.498281 0.676975 0.763499 O\n0.763499 0.498281 0.676975 O\n0.069974 0.300728 0.571651 O\n0.571651 0.069974 0.300728 O\n0.300728 0.571651 0.069974 O\n0.930026 0.699272 0.428349 O\n0.428349 0.930026 0.699272 O\n0.699272 0.428349 0.930026 O\n0.007726 0.068495 0.282198 O\n0.282198 0.007726 0.068495 O\n0.068495 0.282198 0.007726 O\n0.992274 0.931505 0.717802 O\n0.717802 0.992274 0.931505 O\n0.931505 0.717802 0.992274 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Ba",
"In",
"B",
"O"
],
"chemical_system": "B-Ba-In-O",
"density": 5.075713575969,
"density_atomic": 0.06954608741476266,
"volume": 460.12653176528386,
"volume_molar": 8.659208567816096,
"formula_full": "Ba6 In2 B6 O18",
"formula_reduced": "Ba3In(BO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -241.27216831,
"energy_per_atom": -7.5397552596875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -228.90616831,
"band_gap": 3.4937,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.412000Z",
"spacegroup": 148
},
{
"id": "mp-1234431",
"created_at": "2022-09-04T14:39:06.235748Z",
"structure_string": "Mg1 Fe3 Ni2 Sb1 P6 O24\n1.0\n8.680400 -0.041729 -0.033151\n4.336658 7.520449 -0.034594\n4.334622 2.490152 7.094147\nMg Fe Ni Sb P O\n1 3 2 1 6 24\ndirect\n0.374803 0.375315 0.377177 Mg\n0.133779 0.133816 0.133369 Fe\n0.254004 0.254204 0.253239 Fe\n0.652226 0.651989 0.651974 Fe\n0.004924 0.005754 0.005808 Ni\n0.509321 0.508999 0.509039 Ni\n0.858346 0.858577 0.859221 Sb\n0.050274 0.747562 0.461558 P\n0.461753 0.050698 0.747821 P\n0.747062 0.462361 0.051727 P\n0.258373 0.555025 0.947904 P\n0.555025 0.948601 0.258242 P\n0.948487 0.257734 0.554788 P\n0.117773 0.305094 0.511866 O\n0.305990 0.511737 0.117221 O\n0.048494 0.900515 0.266776 O\n0.511659 0.117842 0.305950 O\n0.993550 0.845625 0.604662 O\n0.249072 0.605828 0.456818 O\n0.266951 0.048062 0.900400 O\n0.455779 0.249757 0.606477 O\n0.200270 0.393055 0.992649 O\n0.604824 0.455808 0.250623 O\n0.089036 0.752899 0.935725 O\n0.392977 0.993787 0.199859 O\n0.603765 0.995920 0.846285 O\n0.900094 0.267788 0.048513 O\n0.411557 0.583988 0.753185 O\n0.844229 0.604515 -0.000583 O\n0.584230 0.753618 0.410863 O\n0.752840 0.937016 0.088710 O\n0.753620 0.410799 0.583896 O\n0.993841 0.199692 0.392453 O\n0.532575 0.906647 0.656578 O\n0.936357 0.088451 0.752516 O\n0.657283 0.533979 0.906258 O\n0.906733 0.656634 0.530124 O\n",
"nsites": 37,
"nelements": 6,
"elements": [
"Mg",
"Fe",
"Ni",
"Sb",
"P",
"O"
],
"chemical_system": "Fe-Mg-Ni-O-P-Sb",
"density": 3.5672878933321917,
"density_atomic": 0.0794213002444001,
"volume": 465.8699855849921,
"volume_molar": 7.582526024464847,
"formula_full": "Mg1 Fe3 Ni2 Sb1 P6 O24",
"formula_reduced": "MgFe3Ni2Sb(PO4)6",
"formula_anonymous": "ABC2D3E6F24",
"energy": -277.89026867,
"energy_per_atom": -7.510547801891892,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -249.55226867,
"band_gap": 1.263,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 17.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.450000Z",
"spacegroup": 146
},
{
"id": "mp-1047801",
"created_at": "2022-09-04T14:39:06.244784Z",
"structure_string": "Mg2 P6 W6 O26\n1.0\n6.692321 0.000000 0.000000\n0.000000 7.919906 0.000000\n0.000000 1.603582 10.339989\nMg P W O\n2 6 6 26\ndirect\n0.750000 0.396099 0.181595 Mg\n0.250000 0.603901 0.818405 Mg\n0.250000 0.783798 0.508217 P\n0.750000 0.216202 0.491783 P\n0.250000 0.266490 0.765107 P\n0.750000 0.733510 0.234893 P\n0.750000 0.676117 0.896843 P\n0.250000 0.323883 0.103157 P\n0.250000 0.642655 0.206410 W\n0.750000 0.357345 0.793590 W\n0.250000 0.232286 0.434119 W\n0.500000 0.000000 0.000000 W\n0.750000 0.767714 0.565881 W\n0.000000 0.000000 0.000000 W\n0.750000 0.634544 0.754591 O\n0.568653 0.256847 0.397839 O\n0.250000 0.196065 0.639806 O\n0.551744 0.771494 0.910553 O\n0.750000 0.340271 0.592691 O\n0.750000 0.113614 0.897269 O\n0.250000 0.659729 0.407309 O\n0.051744 0.228506 0.089447 O\n0.250000 0.968228 0.436892 O\n0.750000 0.031772 0.563108 O\n0.072779 0.388285 0.784880 O\n0.250000 0.886386 0.102731 O\n0.572779 0.611715 0.215120 O\n0.750000 0.492036 0.977597 O\n0.750000 0.803935 0.360194 O\n0.448256 0.228506 0.089447 O\n0.931347 0.256847 0.397839 O\n0.431347 0.743153 0.602161 O\n0.427221 0.388285 0.784880 O\n0.250000 0.365456 0.245409 O\n0.750000 0.891117 0.123147 O\n0.250000 0.108883 0.876853 O\n0.927221 0.611715 0.215120 O\n0.948256 0.771494 0.910553 O\n0.068653 0.743153 0.602161 O\n0.250000 0.507964 0.022403 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Mg",
"P",
"W",
"O"
],
"chemical_system": "Mg-O-P-W",
"density": 5.312908011436249,
"density_atomic": 0.07298659842533158,
"volume": 548.0458174923951,
"volume_molar": 8.251022639671184,
"formula_full": "Mg2 P6 W6 O26",
"formula_reduced": "MgP3W3O13",
"formula_anonymous": "AB3C3D13",
"energy": -334.15853917999993,
"energy_per_atom": -8.353963479499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -289.66853918,
"band_gap": 0.9504,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 18.0004262,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:26.331000Z",
"spacegroup": 11
}
]
}