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_theoretical&page=38",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=is_theoretical&page=36",
"results": [
{
"id": "mp-725933",
"created_at": "2022-09-04T14:39:06.065088Z",
"structure_string": "Rb6 Se6 O24\n1.0\n4.695600 0.000000 0.000000\n-0.298810 7.743466 0.000000\n-0.786739 -1.076437 19.707713\nRb Se O\n6 6 24\ndirect\n0.689333 0.823910 0.092630 Rb\n0.310667 0.176090 0.907370 Rb\n0.300945 0.261427 0.251888 Rb\n0.699055 0.738573 0.748112 Rb\n0.867121 0.821026 0.410510 Rb\n0.132879 0.178974 0.589490 Rb\n0.837317 0.324560 0.090272 Se\n0.162683 0.675440 0.909728 Se\n0.298751 0.757412 0.251856 Se\n0.701249 0.242588 0.748144 Se\n0.745315 0.321657 0.422245 Se\n0.254685 0.678343 0.577755 Se\n0.745132 0.200383 0.152755 O\n0.254868 0.799617 0.847245 O\n0.925395 0.205423 0.022493 O\n0.074605 0.794577 0.977507 O\n0.110820 0.463065 0.119746 O\n0.889180 0.536935 0.880254 O\n0.564982 0.452164 0.066933 O\n0.435018 0.547836 0.933067 O\n0.419759 0.887522 0.317460 O\n0.580241 0.112478 0.682540 O\n0.188841 0.873130 0.188109 O\n0.811159 0.126870 0.811891 O\n0.036170 0.622990 0.278664 O\n0.963830 0.377010 0.721336 O\n0.558281 0.624983 0.224636 O\n0.441719 0.375017 0.775364 O\n0.537545 0.467521 0.391746 O\n0.462455 0.532479 0.608254 O\n0.925511 0.213506 0.365822 O\n0.074489 0.786494 0.634178 O\n0.054775 0.462172 0.469006 O\n0.945225 0.537828 0.530994 O\n0.622776 0.200355 0.481906 O\n0.377224 0.799645 0.518094 O\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Rb",
"Se",
"O"
],
"chemical_system": "O-Rb-Se",
"density": 3.1760111841358127,
"density_atomic": 0.050238860685746366,
"volume": 716.5767596758782,
"volume_molar": 11.987016978091194,
"formula_full": "Rb6 Se6 O24",
"formula_reduced": "RbSeO4",
"formula_anonymous": "ABC4",
"energy": -180.30693755,
"energy_per_atom": -5.008526043055555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -176.44293755,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.566205,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:30.459000Z",
"spacegroup": 2
},
{
"id": "mp-1105260",
"created_at": "2022-09-04T14:39:10.105280Z",
"structure_string": "Tb8 In2 Ge8 Rh2\n1.0\n2.138763 10.222671 0.000000\n-2.138763 10.222671 0.000000\n0.000000 2.689421 10.019050\nTb In Ge Rh\n8 2 8 2\ndirect\n0.278071 0.278071 0.344833 Tb\n0.721929 0.721929 0.655167 Tb\n0.371082 0.371082 0.993013 Tb\n0.628918 0.628918 0.006987 Tb\n0.372703 0.372703 0.639456 Tb\n0.627297 0.627297 0.360544 Tb\n0.541440 0.541440 0.726609 Tb\n0.458560 0.458560 0.273391 Tb\n0.000000 0.000000 0.500000 In\n0.000000 0.000000 0.000000 In\n0.063128 0.063128 0.217239 Ge\n0.936872 0.936872 0.782761 Ge\n0.132896 0.132896 0.809252 Ge\n0.867104 0.867104 0.190748 Ge\n0.144808 0.144808 0.548138 Ge\n0.855192 0.855192 0.451862 Ge\n0.804703 0.804703 0.849428 Ge\n0.195297 0.195297 0.150572 Ge\n0.240603 0.240603 0.893759 Rh\n0.759397 0.759397 0.106241 Rh\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Tb",
"In",
"Ge",
"Rh"
],
"chemical_system": "Ge-In-Rh-Tb",
"density": 8.671930712680634,
"density_atomic": 0.04565059156880238,
"volume": 438.11042338535657,
"volume_molar": 13.191813190249064,
"formula_full": "Tb8 In2 Ge8 Rh2",
"formula_reduced": "Tb4InGe4Rh",
"formula_anonymous": "ABC4D4",
"energy": -111.25804592,
"energy_per_atom": -5.562902296,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -111.25804592,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.001574,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.885000Z",
"spacegroup": 12
},
{
"id": "mp-20801",
"created_at": "2022-09-04T14:39:10.183135Z",
"structure_string": "Li1 In2 Pd1\n1.0\n0.000000 3.319797 3.319797\n3.319797 0.000000 3.319797\n3.319797 3.319797 0.000000\nLi In Pd\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Li\n0.250000 0.250000 0.250000 In\n0.750000 0.750000 0.750000 In\n0.500000 0.500000 0.500000 Pd\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pd"
],
"chemical_system": "In-Li-Pd",
"density": 7.783498372035255,
"density_atomic": 0.054663245238676224,
"volume": 73.17531153766654,
"volume_molar": 11.016800655916999,
"formula_full": "Li1 In2 Pd1",
"formula_reduced": "LiIn2Pd",
"formula_anonymous": "ABC2",
"energy": -14.39406716,
"energy_per_atom": -3.59851679,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.39406716,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0040146,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.908000Z",
"spacegroup": 225
},
{
"id": "mp-1104138",
"created_at": "2022-09-04T14:39:10.143809Z",
"structure_string": "Dy1 Mo6 Se8\n1.0\n4.824526 -4.765608 0.000000\n4.824526 4.765608 0.000000\n0.117115 0.000000 6.780365\nDy Mo Se\n1 6 8\ndirect\n0.000000 0.000000 0.000000 Dy\n0.766153 0.576956 0.441236 Mo\n0.441236 0.766153 0.576956 Mo\n0.576956 0.441236 0.766153 Mo\n0.233847 0.423044 0.558764 Mo\n0.558764 0.233847 0.423044 Mo\n0.423044 0.558764 0.233847 Mo\n0.763347 0.763347 0.763347 Se\n0.236653 0.236653 0.236653 Se\n0.244223 0.630035 0.877534 Se\n0.877534 0.244223 0.630035 Se\n0.630035 0.877534 0.244223 Se\n0.755777 0.369965 0.122466 Se\n0.122466 0.755777 0.369965 Se\n0.369965 0.122466 0.755777 Se\n",
"nsites": 15,
"nelements": 3,
"elements": [
"Dy",
"Mo",
"Se"
],
"chemical_system": "Dy-Mo-Se",
"density": 7.29552523263743,
"density_atomic": 0.04810998512679465,
"volume": 311.78558797029876,
"volume_molar": 12.517444651310011,
"formula_full": "Dy1 Mo6 Se8",
"formula_reduced": "Dy(Mo3Se4)2",
"formula_anonymous": "AB6C8",
"energy": -111.90206059,
"energy_per_atom": -7.460137372666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -108.12606059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2628184,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.363000Z",
"spacegroup": 148
},
{
"id": "mp-29710",
"created_at": "2022-09-04T14:39:06.651205Z",
"structure_string": "Hg8 P4 O14\n1.0\n5.038419 0.000000 0.000000\n0.000000 9.486930 0.000000\n0.000000 7.954279 9.556487\nHg P O\n8 4 14\ndirect\n0.439930 0.056286 0.122891 Hg\n0.439930 0.943714 0.377109 Hg\n0.560070 0.943714 0.877109 Hg\n0.560070 0.056286 0.622891 Hg\n0.676229 0.575368 0.402061 Hg\n0.676229 0.424632 0.097939 Hg\n0.323771 0.424632 0.597939 Hg\n0.323771 0.575368 0.902061 Hg\n0.097878 0.294865 0.355945 P\n0.097878 0.705135 0.144055 P\n0.902122 0.705135 0.644055 P\n0.902122 0.294865 0.855945 P\n0.341179 0.833727 0.078319 O\n0.341179 0.166273 0.421681 O\n0.658821 0.166273 0.921681 O\n0.658821 0.833727 0.578319 O\n0.232346 0.500000 0.250000 O\n0.767654 0.500000 0.750000 O\n0.924613 0.290312 0.458542 O\n0.924613 0.709688 0.041458 O\n0.075387 0.709688 0.541458 O\n0.075387 0.290312 0.958542 O\n0.955112 0.258416 0.266063 O\n0.955112 0.741584 0.233937 O\n0.044888 0.258416 0.766063 O\n0.044888 0.741584 0.733937 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Hg",
"P",
"O"
],
"chemical_system": "Hg-O-P",
"density": 7.0981571560598855,
"density_atomic": 0.0569187163893297,
"volume": 456.79174881874366,
"volume_molar": 10.58024695920399,
"formula_full": "Hg8 P4 O14",
"formula_reduced": "Hg4P2O7",
"formula_anonymous": "A2B4C7",
"energy": -138.30599146,
"energy_per_atom": -5.31946121,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -128.68799146,
"band_gap": 1.5884999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0024121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.425000Z",
"spacegroup": 13
},
{
"id": "mp-29820",
"created_at": "2022-09-04T14:39:06.659311Z",
"structure_string": "Ca24 Al16 N32\n1.0\n5.856336 0.000000 0.000000\n0.000000 10.751856 0.000000\n0.000000 0.000000 15.916668\nCa Al N\n24 16 32\ndirect\n0.722547 0.766779 0.558861 Ca\n0.222547 0.733221 0.441139 Ca\n0.277453 0.266779 0.941139 Ca\n0.777453 0.233221 0.058861 Ca\n0.998465 0.509810 0.573255 Ca\n0.498465 0.990190 0.426745 Ca\n0.001535 0.009810 0.926745 Ca\n0.501535 0.490190 0.073255 Ca\n0.036064 0.972176 0.703779 Ca\n0.536064 0.527824 0.296221 Ca\n0.963936 0.472176 0.796221 Ca\n0.463936 0.027824 0.203779 Ca\n0.206714 0.758622 0.061812 Ca\n0.706714 0.741378 0.938188 Ca\n0.793286 0.258622 0.438188 Ca\n0.293286 0.241378 0.561812 Ca\n0.238930 0.736292 0.833436 Ca\n0.738930 0.763708 0.166564 Ca\n0.761070 0.236292 0.666564 Ca\n0.261070 0.263708 0.333436 Ca\n0.467404 0.490507 0.679694 Ca\n0.967404 0.009493 0.320306 Ca\n0.532596 0.990507 0.820306 Ca\n0.032596 0.509493 0.179694 Ca\n0.013532 0.991163 0.507041 Al\n0.513532 0.508837 0.492959 Al\n0.986468 0.491163 0.992959 Al\n0.486468 0.008837 0.007041 Al\n0.255411 0.249535 0.748588 Al\n0.755411 0.250465 0.251412 Al\n0.744589 0.749535 0.751412 Al\n0.244589 0.750465 0.248588 Al\n0.262752 0.756161 0.628495 Al\n0.762752 0.743839 0.371505 Al\n0.737248 0.256161 0.871505 Al\n0.237248 0.243839 0.128495 Al\n0.492584 0.981588 0.631016 Al\n0.992584 0.518412 0.368984 Al\n0.507416 0.481588 0.868984 Al\n0.007416 0.018412 0.131016 Al\n0.881245 0.864872 0.827872 N\n0.381245 0.635128 0.172128 N\n0.118755 0.364872 0.672128 N\n0.618755 0.135128 0.327872 N\n0.976942 0.707553 0.671889 N\n0.476942 0.792447 0.328111 N\n0.023058 0.207553 0.828111 N\n0.523058 0.292447 0.171889 N\n0.128936 0.887453 0.190915 N\n0.628936 0.612547 0.809085 N\n0.871064 0.387453 0.309085 N\n0.371064 0.112547 0.690915 N\n0.218461 0.526402 0.911143 N\n0.718461 0.973598 0.088857 N\n0.781539 0.026402 0.588857 N\n0.281539 0.473598 0.411143 N\n0.274088 0.904411 0.555389 N\n0.774088 0.595589 0.444611 N\n0.725912 0.404411 0.944611 N\n0.225912 0.095589 0.055389 N\n0.370402 0.873299 0.942251 N\n0.870402 0.626701 0.057749 N\n0.629598 0.373299 0.557749 N\n0.129598 0.126701 0.442251 N\n0.380060 0.627067 0.565663 N\n0.880060 0.872933 0.434337 N\n0.619940 0.127067 0.934337 N\n0.119940 0.372933 0.065663 N\n0.480321 0.833410 0.703683 N\n0.980321 0.666590 0.296317 N\n0.519679 0.333410 0.796317 N\n0.019679 0.166590 0.203683 N\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Ca",
"Al",
"N"
],
"chemical_system": "Al-Ca-N",
"density": 3.051601820941173,
"density_atomic": 0.0718407592867076,
"volume": 1002.2165789291964,
"volume_molar": 8.382624042107322,
"formula_full": "Ca24 Al16 N32",
"formula_reduced": "Ca3(AlN2)2",
"formula_anonymous": "A2B3C4",
"energy": -467.86625337,
"energy_per_atom": -6.498142407916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -456.31425337,
"band_gap": 2.1954,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0019687,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.641000Z",
"spacegroup": 19
},
{
"id": "mp-555099",
"created_at": "2022-09-04T14:39:05.641166Z",
"structure_string": "Na6 Eu2 C6 O18\n1.0\n3.656539 -5.590790 0.000000\n3.656539 5.590790 0.000000\n0.000000 0.000000 10.144574\nNa Eu C O\n6 2 6 18\ndirect\n0.371236 0.404751 0.250000 Na\n0.065651 0.065651 0.500000 Na\n0.797363 0.209277 0.750000 Na\n0.404751 0.371236 0.750000 Na\n0.065651 0.065651 0.000000 Na\n0.209277 0.797363 0.250000 Na\n0.772682 0.226861 0.250000 Eu\n0.226861 0.772682 0.750000 Eu\n0.781702 0.759308 0.750000 C\n0.759308 0.781702 0.250000 C\n0.528963 0.124999 0.499019 C\n0.124999 0.528963 0.500981 C\n0.124999 0.528963 0.999019 C\n0.528963 0.124999 0.000981 C\n0.432640 0.107233 0.611893 O\n0.154693 0.437290 0.891520 O\n0.718941 0.118520 0.490750 O\n0.437290 0.154693 0.108480 O\n0.806889 0.577354 0.750000 O\n0.577354 0.806889 0.250000 O\n0.118520 0.718941 0.990750 O\n0.107233 0.432640 0.388107 O\n0.958194 0.943277 0.750000 O\n0.943277 0.958194 0.250000 O\n0.437290 0.154693 0.391520 O\n0.107233 0.432640 0.111893 O\n0.590882 0.763964 0.750000 O\n0.118520 0.718941 0.509250 O\n0.763964 0.590882 0.250000 O\n0.432640 0.107233 0.888107 O\n0.718941 0.118520 0.009250 O\n0.154693 0.437290 0.608480 O\n",
"nsites": 32,
"nelements": 4,
"elements": [
"Na",
"Eu",
"C",
"O"
],
"chemical_system": "C-Eu-Na-O",
"density": 3.210502047418615,
"density_atomic": 0.07715121655412442,
"volume": 414.7698692158771,
"volume_molar": 7.805632923202509,
"formula_full": "Na6 Eu2 C6 O18",
"formula_reduced": "Na3Eu(CO3)3",
"formula_anonymous": "AB3C3D9",
"energy": -245.35779415,
"energy_per_atom": -7.6674310671875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.99179415,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 11.9999996,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:42.268000Z",
"spacegroup": 40
},
{
"id": "mp-558690",
"created_at": "2022-09-04T14:39:10.656524Z",
"structure_string": "Zn2 B8 O14\n1.0\n3.274346 -5.456846 0.000000\n3.274346 5.456846 0.000000\n0.000000 0.000000 5.221128\nZn B O\n2 8 14\ndirect\n0.766103 0.766103 0.750000 Zn\n0.233897 0.233897 0.250000 Zn\n0.702429 0.297571 0.500000 B\n0.297571 0.702429 0.000000 B\n0.702429 0.297571 0.000000 B\n0.689564 0.924631 0.250000 B\n0.924631 0.689564 0.250000 B\n0.297571 0.702429 0.500000 B\n0.075369 0.310436 0.750000 B\n0.310436 0.075369 0.750000 B\n0.920341 0.920341 0.250000 O\n0.445806 0.189307 0.976941 O\n0.079659 0.079659 0.750000 O\n0.554194 0.810693 0.023059 O\n0.810693 0.554194 0.476941 O\n0.195503 0.754926 0.250000 O\n0.445806 0.189307 0.523059 O\n0.189307 0.445806 0.976941 O\n0.245074 0.804497 0.750000 O\n0.810693 0.554194 0.023059 O\n0.754926 0.195503 0.250000 O\n0.189307 0.445806 0.523059 O\n0.804497 0.245074 0.750000 O\n0.554194 0.810693 0.476941 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Zn",
"B",
"O"
],
"chemical_system": "B-O-Zn",
"density": 3.927534964640923,
"density_atomic": 0.1286324787901658,
"volume": 186.57807286097986,
"volume_molar": 4.681664239576486,
"formula_full": "Zn2 B8 O14",
"formula_reduced": "ZnB4O7",
"formula_anonymous": "AB4C7",
"energy": -188.32436546,
"energy_per_atom": -7.846848560833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.70636546,
"band_gap": 5.3796,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004709,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:24.085000Z",
"spacegroup": 63
},
{
"id": "mp-5792",
"created_at": "2022-09-04T14:39:06.677776Z",
"structure_string": "Ba2 Cu2 Sn4\n1.0\n2.431548 -9.810407 0.000000\n2.431548 9.810407 0.000000\n0.000000 0.000000 4.691833\nBa Cu Sn\n2 2 4\ndirect\n0.391907 0.608093 0.250000 Ba\n0.608093 0.391907 0.750000 Ba\n0.820873 0.179127 0.750000 Cu\n0.179127 0.820873 0.250000 Cu\n0.043340 0.956660 0.250000 Sn\n0.956660 0.043340 0.750000 Sn\n0.250059 0.749941 0.750000 Sn\n0.749941 0.250059 0.250000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Ba",
"Cu",
"Sn"
],
"chemical_system": "Ba-Cu-Sn",
"density": 6.502812234831334,
"density_atomic": 0.03573942602554695,
"volume": 223.8424308851941,
"volume_molar": 16.85013283564013,
"formula_full": "Ba2 Cu2 Sn4",
"formula_reduced": "BaCuSn2",
"formula_anonymous": "ABC2",
"energy": -31.68637911,
"energy_per_atom": -3.96079738875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -31.68637911,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0029663,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.557000Z",
"spacegroup": 63
},
{
"id": "mp-568006",
"created_at": "2022-09-04T14:39:06.682020Z",
"structure_string": "Dy1 Fe5\n1.0\n2.503245 -4.335747 0.000000\n2.503245 4.335747 0.000000\n0.000000 0.000000 3.953059\nDy Fe\n1 5\ndirect\n0.000000 0.000000 0.000000 Dy\n0.500000 0.500000 0.500000 Fe\n0.666667 0.333333 0.000000 Fe\n0.000000 0.500000 0.500000 Fe\n0.333333 0.666667 0.000000 Fe\n0.500000 0.000000 0.500000 Fe\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Dy",
"Fe"
],
"chemical_system": "Dy-Fe",
"density": 8.548117737120513,
"density_atomic": 0.06992309911883922,
"volume": 85.80855361977846,
"volume_molar": 8.61251980517189,
"formula_full": "Dy1 Fe5",
"formula_reduced": "DyFe5",
"formula_anonymous": "AB5",
"energy": -47.23174059,
"energy_per_atom": -7.871956765,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -47.23174059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 9.8497942,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:25.468000Z",
"spacegroup": 191
},
{
"id": "mp-21026",
"created_at": "2022-09-04T14:39:06.693923Z",
"structure_string": "Li2 In1 Pt1\n1.0\n0.000000 3.191630 3.191630\n3.191630 0.000000 3.191630\n3.191630 3.191630 0.000000\nLi In Pt\n2 1 1\ndirect\n0.500000 0.500000 0.500000 Li\n0.250000 0.250000 0.250000 Li\n0.750000 0.750000 0.750000 In\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Li",
"In",
"Pt"
],
"chemical_system": "In-Li-Pt",
"density": 8.268693042445866,
"density_atomic": 0.06151660788680087,
"volume": 65.0230911197275,
"volume_molar": 9.789455184332624,
"formula_full": "Li2 In1 Pt1",
"formula_reduced": "Li2InPt",
"formula_anonymous": "ABC2",
"energy": -14.91346088,
"energy_per_atom": -3.72836522,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.91346088,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006917,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:29.665000Z",
"spacegroup": 216
},
{
"id": "mp-726732",
"created_at": "2022-09-04T14:39:12.131392Z",
"structure_string": "V1 N3 F6\n1.0\n0.000000 4.327907 4.327907\n4.327907 0.000000 4.327907\n4.327907 4.327907 0.000000\nV N F\n1 3 6\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 N\n0.750000 0.750000 0.750000 N\n0.250000 0.250000 0.250000 N\n0.789833 0.789833 0.210167 F\n0.210167 0.789833 0.210167 F\n0.789833 0.210167 0.210167 F\n0.210167 0.210167 0.789833 F\n0.789833 0.210167 0.789833 F\n0.210167 0.789833 0.789833 F\n",
"nsites": 10,
"nelements": 3,
"elements": [
"V",
"N",
"F"
],
"chemical_system": "F-N-V",
"density": 2.1196053657326512,
"density_atomic": 0.061678846729051225,
"volume": 162.13013910472358,
"volume_molar": 9.76370519127026,
"formula_full": "V1 N3 F6",
"formula_reduced": "V(NF2)3",
"formula_anonymous": "AB3C6",
"energy": -47.27170136,
"energy_per_atom": -4.727170136,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -42.79970136,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0089126,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:43.759000Z",
"spacegroup": 225
}
]
}