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=-decomposes_to&page=10241",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=10239",
"results": [
{
"id": "mp-1232251",
"created_at": "2022-09-04T14:43:35.348210Z",
"structure_string": "Tm6 Mg6 S18\n1.0\n6.624112 0.000000 0.000000\n-3.312056 5.736649 0.000000\n0.000000 0.000000 17.882397\nTm Mg S\n6 6 18\ndirect\n0.000000 0.000000 0.348018 Tm\n0.000000 0.000000 0.651982 Tm\n0.666667 0.333333 0.681351 Tm\n0.666667 0.333333 0.985315 Tm\n0.333333 0.666667 0.014685 Tm\n0.333333 0.666667 0.318649 Tm\n0.000000 0.000000 0.154102 Mg\n0.000000 0.000000 0.845898 Mg\n0.666667 0.333333 0.487435 Mg\n0.666667 0.333333 0.179231 Mg\n0.333333 0.666667 0.820769 Mg\n0.333333 0.666667 0.512565 Mg\n0.982043 0.346091 0.582403 S\n0.017957 0.653909 0.417597 S\n0.653909 0.635952 0.582403 S\n0.346091 0.364048 0.417597 S\n0.364048 0.017957 0.582403 S\n0.635952 0.982043 0.417597 S\n0.648710 0.679424 0.915736 S\n0.684624 0.987242 0.750930 S\n0.320576 0.969285 0.915736 S\n0.012758 0.697381 0.750930 S\n0.030715 0.351290 0.915736 S\n0.302619 0.315376 0.750930 S\n0.315376 0.012758 0.249070 S\n0.351290 0.320576 0.084264 S\n0.987242 0.302619 0.249070 S\n0.679424 0.030715 0.084264 S\n0.697381 0.684624 0.249070 S\n0.969285 0.648710 0.084264 S\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Tm",
"Mg",
"S"
],
"chemical_system": "Mg-S-Tm",
"density": 4.243639980131971,
"density_atomic": 0.04414785194872071,
"volume": 679.5347604872387,
"volume_molar": 13.640846596556793,
"formula_full": "Tm6 Mg6 S18",
"formula_reduced": "TmMgS3",
"formula_anonymous": "ABC3",
"energy": -160.29546127,
"energy_per_atom": -5.343182042333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -151.24146127,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.3278918,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.362000Z",
"spacegroup": 148
},
{
"id": "mp-1094562",
"created_at": "2022-09-04T14:43:35.369878Z",
"structure_string": "Li4 Mg2\n1.0\n1.526998 -7.929456 0.000000\n1.526998 7.929456 0.000000\n0.000000 0.000000 5.032142\nLi Mg\n4 2\ndirect\n0.999501 0.000499 0.000000 Li\n0.333292 0.666708 0.000000 Li\n0.666603 0.333397 0.000000 Li\n0.444427 0.555573 0.500000 Li\n0.109823 0.890177 0.500000 Mg\n0.779686 0.220314 0.500000 Mg\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Li",
"Mg"
],
"chemical_system": "Li-Mg",
"density": 1.0407103868074514,
"density_atomic": 0.04923642424317987,
"volume": 121.86100213869831,
"volume_molar": 12.231068467231706,
"formula_full": "Li4 Mg2",
"formula_reduced": "Li2Mg",
"formula_anonymous": "AB2",
"energy": -10.94301775,
"energy_per_atom": -1.8238362916666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -10.94301775,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.296000Z",
"spacegroup": 38
},
{
"id": "mp-8500",
"created_at": "2022-09-04T14:43:35.612264Z",
"structure_string": "As1 S2 N1 F6\n1.0\n3.374408 4.801539 0.000000\n-3.374408 4.801539 0.000000\n0.000000 0.232463 5.454256\nAs S N F\n1 2 1 6\ndirect\n0.000000 0.000000 0.000000 As\n0.358486 0.358486 0.624750 S\n0.641514 0.641514 0.375250 S\n0.500000 0.500000 0.500000 N\n0.920902 0.293408 0.858307 F\n0.079098 0.706592 0.141693 F\n0.293408 0.920902 0.858307 F\n0.892678 0.892678 0.744018 F\n0.107322 0.107322 0.255982 F\n0.706592 0.079098 0.141693 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"As",
"S",
"N",
"F"
],
"chemical_system": "As-F-N-S",
"density": 2.5089732463928116,
"density_atomic": 0.05657915193653232,
"volume": 176.74354700857842,
"volume_molar": 10.643745185073358,
"formula_full": "As1 S2 N1 F6",
"formula_reduced": "AsS2NF6",
"formula_anonymous": "ABC2D6",
"energy": -49.82985439,
"energy_per_atom": -4.982985439,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.69685439,
"band_gap": 2.608,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.77e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:22.788000Z",
"spacegroup": 12
},
{
"id": "mp-1026743",
"created_at": "2022-09-04T14:43:35.325666Z",
"structure_string": "La1 Mg14 B1\n1.0\n6.437571 0.000000 0.000000\n-3.218785 5.575099 -0.000000\n-0.000000 0.000000 10.243834\nLa Mg B\n1 14 1\ndirect\n0.166667 0.333333 0.125000 La\n0.181589 0.840794 0.125000 Mg\n0.158652 0.829325 0.625000 Mg\n0.659206 0.318411 0.125000 Mg\n0.670675 0.341348 0.625000 Mg\n0.659206 0.840794 0.125000 Mg\n0.670675 0.829325 0.625000 Mg\n0.328986 0.171014 0.394739 Mg\n0.328986 0.171014 0.855261 Mg\n0.328986 0.657973 0.394739 Mg\n0.328986 0.657973 0.855261 Mg\n0.842027 0.171014 0.394739 Mg\n0.842027 0.171014 0.855261 Mg\n0.833333 0.666667 0.364341 Mg\n0.833333 0.666667 0.885659 Mg\n0.166667 0.333333 0.625000 B\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Mg",
"B"
],
"chemical_system": "B-La-Mg",
"density": 2.2130745180274443,
"density_atomic": 0.04351939355235211,
"volume": 367.6521820266781,
"volume_molar": 13.837832443036234,
"formula_full": "La1 Mg14 B1",
"formula_reduced": "LaMg14B",
"formula_anonymous": "ABC14",
"energy": -30.76510758,
"energy_per_atom": -1.92281922375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -30.76510758,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.14e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:27.357000Z",
"spacegroup": 187
},
{
"id": "mp-1197972",
"created_at": "2022-09-04T14:43:35.326687Z",
"structure_string": "Er12 Ga20\n1.0\n6.076359 0.000000 0.000000\n0.000000 9.645718 0.000000\n0.000000 0.000000 11.329556\nEr Ga\n12 20\ndirect\n0.848306 0.750000 0.073290 Er\n0.651694 0.750000 0.573290 Er\n0.151694 0.250000 0.926710 Er\n0.348306 0.250000 0.426710 Er\n0.889544 0.509670 0.352258 Er\n0.610456 0.990330 0.852258 Er\n0.110456 0.009670 0.647742 Er\n0.389544 0.490330 0.147742 Er\n0.110456 0.490330 0.647742 Er\n0.389544 0.009670 0.147742 Er\n0.889544 0.990330 0.352258 Er\n0.610456 0.509670 0.852258 Er\n0.874308 0.052331 0.090897 Ga\n0.625692 0.447669 0.590897 Ga\n0.125692 0.552331 0.909103 Ga\n0.374308 0.947669 0.409103 Ga\n0.125692 0.947669 0.909103 Ga\n0.374308 0.552331 0.409103 Ga\n0.874308 0.447669 0.090897 Ga\n0.625692 0.052331 0.590897 Ga\n0.175426 0.750000 0.251527 Ga\n0.324574 0.750000 0.751527 Ga\n0.824574 0.250000 0.748473 Ga\n0.675426 0.250000 0.248473 Ga\n0.371879 0.750000 0.005500 Ga\n0.128121 0.750000 0.505500 Ga\n0.628121 0.250000 0.994500 Ga\n0.871879 0.250000 0.494500 Ga\n0.604047 0.750000 0.298784 Ga\n0.895953 0.750000 0.798784 Ga\n0.395953 0.250000 0.701216 Ga\n0.104047 0.250000 0.201216 Ga\n",
"nsites": 32,
"nelements": 2,
"elements": [
"Er",
"Ga"
],
"chemical_system": "Er-Ga",
"density": 8.50623504113038,
"density_atomic": 0.04819024146326312,
"volume": 664.0348549486844,
"volume_molar": 12.496598018897375,
"formula_full": "Er12 Ga20",
"formula_reduced": "Er3Ga5",
"formula_anonymous": "A3B5",
"energy": -135.8491747,
"energy_per_atom": -4.245286709375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -135.8491747,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0015228,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.939000Z",
"spacegroup": 62
},
{
"id": "mp-1201255",
"created_at": "2022-09-04T14:43:35.329004Z",
"structure_string": "U4 Ni2 P4 O44\n1.0\n18.780575 0.000000 0.000000\n0.000000 6.992340 0.000000\n0.000000 6.693066 6.996649\nU Ni P O\n4 2 4 44\ndirect\n0.697294 0.583870 0.443513 U\n0.802706 0.583870 0.943513 U\n0.302706 0.416130 0.556487 U\n0.197294 0.416130 0.056487 U\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.749056 0.082750 0.945118 P\n0.750944 0.082750 0.445118 P\n0.250944 0.917250 0.054882 P\n0.249056 0.917250 0.554882 P\n0.699080 0.928092 0.119378 O\n0.800920 0.928092 0.619378 O\n0.300920 0.071908 0.880622 O\n0.199080 0.071908 0.380622 O\n0.703649 0.887157 0.461382 O\n0.796351 0.887157 0.961382 O\n0.296351 0.112843 0.538618 O\n0.203649 0.112843 0.038618 O\n0.701485 0.271100 0.433192 O\n0.798515 0.271100 0.933192 O\n0.298515 0.728900 0.566808 O\n0.201485 0.728900 0.066808 O\n0.600785 0.616347 0.423464 O\n0.899215 0.616347 0.923464 O\n0.399215 0.383653 0.576536 O\n0.100785 0.383653 0.076536 O\n0.793714 0.575707 0.446489 O\n0.706286 0.575707 0.946489 O\n0.206286 0.424293 0.553511 O\n0.293714 0.424293 0.053511 O\n0.701882 0.247326 0.762960 O\n0.798118 0.247326 0.262960 O\n0.298118 0.752674 0.237040 O\n0.201882 0.752674 0.737040 O\n0.548548 0.285148 0.292771 O\n0.951452 0.285148 0.792771 O\n0.451452 0.714852 0.707229 O\n0.048548 0.714852 0.207229 O\n0.536400 0.097308 0.668437 O\n0.963600 0.097308 0.168437 O\n0.463600 0.902692 0.331563 O\n0.036400 0.902692 0.831563 O\n0.956723 0.172892 0.601474 O\n0.543277 0.172892 0.101474 O\n0.043277 0.827108 0.398526 O\n0.456723 0.827108 0.898526 O\n0.986694 0.963090 0.342672 O\n0.513306 0.963090 0.842672 O\n0.013306 0.036910 0.657328 O\n0.486694 0.036910 0.157328 O\n0.561186 0.732780 0.666480 O\n0.938814 0.732780 0.166480 O\n0.438814 0.267220 0.333520 O\n0.061186 0.267220 0.833520 O\n",
"nsites": 54,
"nelements": 4,
"elements": [
"U",
"Ni",
"P",
"O"
],
"chemical_system": "Ni-O-P-U",
"density": 3.429097758492749,
"density_atomic": 0.05877224091987062,
"volume": 918.8011066929192,
"volume_molar": 10.246573323978774,
"formula_full": "U4 Ni2 P4 O44",
"formula_reduced": "U2Ni(PO11)2",
"formula_anonymous": "AB2C2D22",
"energy": -357.04998192,
"energy_per_atom": -6.612036702222222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -351.96798192,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0001053,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:23.432000Z",
"spacegroup": 14
},
{
"id": "mp-1147576",
"created_at": "2022-09-04T14:43:35.330626Z",
"structure_string": "Sr2 Cu1 S2 Cl2\n1.0\n-2.361212 2.361212 7.474477\n2.361212 -2.361212 7.474477\n2.361212 2.361212 -7.474477\nSr Cu S Cl\n2 1 2 2\ndirect\n0.647443 0.647443 0.000000 Sr\n0.352557 0.352557 0.000000 Sr\n0.000000 0.000000 0.000000 Cu\n0.839368 0.839368 0.000000 S\n0.160632 0.160632 0.000000 S\n0.500000 0.000000 0.500000 Cl\n0.000000 0.500000 0.500000 Cl\n",
"nsites": 7,
"nelements": 4,
"elements": [
"Sr",
"Cu",
"S",
"Cl"
],
"chemical_system": "Cl-Cu-S-Sr",
"density": 3.7239444122125085,
"density_atomic": 0.041994003050533205,
"volume": 166.6904674835737,
"volume_molar": 14.340477979089771,
"formula_full": "Sr2 Cu1 S2 Cl2",
"formula_reduced": "Sr2Cu(SCl)2",
"formula_anonymous": "AB2C2D2",
"energy": -31.54244294,
"energy_per_atom": -4.506063277142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.30844294,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.109453,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.208000Z",
"spacegroup": 139
},
{
"id": "mp-1186504",
"created_at": "2022-09-04T14:43:35.336081Z",
"structure_string": "Pm6 Dy2\n1.0\n3.650312 -6.322526 0.000000\n3.650312 6.322526 0.000000\n0.000000 0.000000 5.931046\nPm Dy\n6 2\ndirect\n0.167198 0.334396 0.250000 Pm\n0.665604 0.832802 0.250000 Pm\n0.167198 0.832802 0.250000 Pm\n0.832802 0.665604 0.750000 Pm\n0.334396 0.167198 0.750000 Pm\n0.832802 0.167198 0.750000 Pm\n0.333333 0.666667 0.750000 Dy\n0.666667 0.333333 0.250000 Dy\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Pm",
"Dy"
],
"chemical_system": "Dy-Pm",
"density": 7.248282385428864,
"density_atomic": 0.029221875687608877,
"volume": 273.76750505417715,
"volume_molar": 20.60833063687833,
"formula_full": "Pm6 Dy2",
"formula_reduced": "Pm3Dy",
"formula_anonymous": "AB3",
"energy": -37.50757116,
"energy_per_atom": -4.688446395,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -37.50757116,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0336171,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.651000Z",
"spacegroup": 194
},
{
"id": "mp-10368",
"created_at": "2022-09-04T14:43:35.348293Z",
"structure_string": "Co8 P8 Se8\n1.0\n5.600318 0.000000 0.000000\n0.000000 5.683033 0.000000\n0.000000 0.000000 11.232580\nCo P Se\n8 8 8\ndirect\n0.013707 0.179232 0.379981 Co\n0.013707 0.320768 0.879981 Co\n0.486293 0.679232 0.379981 Co\n0.986293 0.820768 0.620019 Co\n0.513707 0.320768 0.620019 Co\n0.486293 0.820768 0.879981 Co\n0.986293 0.679232 0.120019 Co\n0.513707 0.179232 0.120019 Co\n0.628400 0.679284 0.564311 P\n0.871600 0.320716 0.064311 P\n0.371600 0.179284 0.935689 P\n0.128400 0.820716 0.435689 P\n0.128400 0.679284 0.935689 P\n0.628400 0.820716 0.064311 P\n0.871600 0.179284 0.564311 P\n0.371600 0.320716 0.435689 P\n0.118683 0.069558 0.176859 Se\n0.618683 0.430442 0.823141 Se\n0.881317 0.569558 0.323141 Se\n0.381317 0.930442 0.676859 Se\n0.881317 0.930442 0.823141 Se\n0.381317 0.569558 0.176859 Se\n0.118683 0.430442 0.676859 Se\n0.618683 0.069558 0.323141 Se\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"Se"
],
"chemical_system": "Co-P-Se",
"density": 6.2749659793806005,
"density_atomic": 0.06713343286887122,
"volume": 357.49698733383923,
"volume_molar": 8.970404912501321,
"formula_full": "Co8 P8 Se8",
"formula_reduced": "CoPSe",
"formula_anonymous": "ABC",
"energy": -143.04919539000002,
"energy_per_atom": -5.960383141250001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -139.27319539,
"band_gap": 0.6371000000000002,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000638,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.623000Z",
"spacegroup": 61
},
{
"id": "mp-1104916",
"created_at": "2022-09-04T14:43:35.358353Z",
"structure_string": "V2 Pb1 O2 F8\n1.0\n5.172093 0.000000 0.000000\n0.054847 5.626569 0.000000\n2.269285 2.135132 6.853978\nV Pb O F\n2 1 2 8\ndirect\n0.655796 0.647541 0.746404 V\n0.344204 0.352459 0.253596 V\n0.000000 0.000000 0.000000 Pb\n0.637339 0.707864 0.530931 O\n0.362661 0.292136 0.469069 O\n0.469818 0.900888 0.831362 F\n0.530182 0.099112 0.168638 F\n0.968650 0.825538 0.721514 F\n0.031350 0.174462 0.278486 F\n0.843849 0.365605 0.769637 F\n0.156151 0.634395 0.230363 F\n0.338352 0.438881 0.905754 F\n0.661648 0.561119 0.094246 F\n",
"nsites": 13,
"nelements": 4,
"elements": [
"V",
"Pb",
"O",
"F"
],
"chemical_system": "F-O-Pb-V",
"density": 4.104914710915628,
"density_atomic": 0.06517644548449787,
"volume": 199.45856057909805,
"volume_molar": 9.239750212263967,
"formula_full": "V2 Pb1 O2 F8",
"formula_reduced": "V2Pb(OF4)2",
"formula_anonymous": "AB2C2D8",
"energy": -82.91559353,
"energy_per_atom": -6.3781225792307685,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -74.44559353,
"band_gap": 3.4497,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0050931,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:23.562000Z",
"spacegroup": 2
},
{
"id": "mp-3503",
"created_at": "2022-09-04T14:43:35.500953Z",
"structure_string": "Li12 W2 N8\n1.0\n6.712419 0.000000 0.000000\n0.000000 6.712419 0.000000\n0.000000 0.000000 4.943421\nLi W N\n12 2 8\ndirect\n0.712995 0.287005 0.500000 Li\n0.787005 0.787005 0.000000 Li\n0.212995 0.212995 0.000000 Li\n0.287005 0.712995 0.500000 Li\n0.787005 0.212995 0.000000 Li\n0.712995 0.712995 0.500000 Li\n0.287005 0.287005 0.500000 Li\n0.212995 0.787005 0.000000 Li\n0.500000 0.000000 0.918610 Li\n0.500000 0.000000 0.418610 Li\n0.000000 0.500000 0.081390 Li\n0.000000 0.500000 0.581390 Li\n0.000000 0.000000 0.500000 W\n0.500000 0.500000 0.000000 W\n0.500000 0.258627 0.199506 N\n0.500000 0.741373 0.199506 N\n0.241373 0.000000 0.699506 N\n0.758627 0.000000 0.699506 N\n0.258627 0.500000 0.800494 N\n0.000000 0.241373 0.300494 N\n0.000000 0.758627 0.300494 N\n0.741373 0.500000 0.800494 N\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Li",
"W",
"N"
],
"chemical_system": "Li-N-W",
"density": 4.197507930361011,
"density_atomic": 0.0987727093306038,
"volume": 222.73358854988408,
"volume_molar": 6.096968282851483,
"formula_full": "Li12 W2 N8",
"formula_reduced": "Li6WN4",
"formula_anonymous": "AB4C6",
"energy": -135.63978666,
"energy_per_atom": -6.165444848181818,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.75178666,
"band_gap": 3.0573999999999995,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0111491,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:18.029000Z",
"spacegroup": 137
},
{
"id": "mp-1208147",
"created_at": "2022-09-04T14:43:35.364739Z",
"structure_string": "V8 Ni4 O32\n1.0\n5.574138 0.000000 0.000000\n0.000000 10.927712 0.000000\n0.000000 0.000000 11.752300\nV Ni O\n8 4 32\ndirect\n0.301501 0.033581 0.171842 V\n0.698499 0.966419 0.828158 V\n0.198499 0.966419 0.671842 V\n0.698499 0.533581 0.828158 V\n0.801501 0.033581 0.328158 V\n0.301501 0.466419 0.171842 V\n0.801501 0.466419 0.328158 V\n0.198499 0.533581 0.671842 V\n0.017815 0.250000 0.544951 Ni\n0.982185 0.750000 0.455049 Ni\n0.482185 0.750000 0.044951 Ni\n0.517815 0.250000 0.955049 Ni\n0.225148 0.250000 0.877506 O\n0.774852 0.750000 0.122494 O\n0.274852 0.750000 0.377506 O\n0.725148 0.250000 0.622494 O\n0.993920 0.069654 0.209599 O\n0.006080 0.930346 0.790401 O\n0.506080 0.930346 0.709599 O\n0.006080 0.569654 0.790401 O\n0.493920 0.069654 0.290401 O\n0.993920 0.430346 0.209599 O\n0.493920 0.430346 0.290401 O\n0.506080 0.569654 0.709599 O\n0.170637 0.117984 0.643994 O\n0.829363 0.882016 0.356006 O\n0.329363 0.882016 0.143994 O\n0.829363 0.617984 0.356006 O\n0.670637 0.117984 0.856006 O\n0.170637 0.382016 0.643994 O\n0.670637 0.382016 0.856006 O\n0.329363 0.617984 0.143994 O\n0.385099 0.116621 0.059058 O\n0.614901 0.883379 0.940942 O\n0.114901 0.883379 0.559058 O\n0.614901 0.616621 0.940942 O\n0.885099 0.116621 0.440942 O\n0.385099 0.383379 0.059058 O\n0.885099 0.383379 0.440942 O\n0.114901 0.616621 0.559058 O\n0.322172 0.250000 0.465752 O\n0.677828 0.750000 0.534248 O\n0.177828 0.750000 0.965752 O\n0.822172 0.250000 0.034248 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"V",
"Ni",
"O"
],
"chemical_system": "Ni-O-V",
"density": 2.6775207799232024,
"density_atomic": 0.06146428731415092,
"volume": 715.8628517908461,
"volume_molar": 9.79778831440794,
"formula_full": "V8 Ni4 O32",
"formula_reduced": "V2NiO8",
"formula_anonymous": "AB2C8",
"energy": -314.07883686,
"energy_per_atom": -7.138155383181819,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -268.33083686,
"band_gap": 0.0,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 16.0007723,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.867000Z",
"spacegroup": 62
}
]
}