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=12150",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formation_energy_per_atom&page=12148",
"results": [
{
"id": "mp-1638622",
"created_at": "2022-09-04T14:43:22.607007Z",
"structure_string": "Li10 Fe6 Sb4 O20\n1.0\n-4.334938 -5.417202 0.108686\n6.494610 -4.964144 0.244979\n-2.859603 2.341758 7.350688\nLi Fe Sb O\n10 6 4 20\ndirect\n0.248397 0.754187 0.499902 Li\n0.758239 0.254853 0.505598 Li\n0.128682 0.375120 0.409394 Li\n0.643260 0.872979 0.392985 Li\n0.369597 0.119413 0.592146 Li\n0.855749 0.648816 0.593527 Li\n0.556118 0.946828 0.797013 Li\n0.049381 0.449579 0.799913 Li\n0.945661 0.547949 0.193111 Li\n0.459641 0.040089 0.195149 Li\n0.253380 0.247624 0.998661 Fe\n0.652384 0.346427 0.896528 Fe\n0.845827 0.148178 0.107612 Fe\n0.751628 0.753728 0.999357 Fe\n0.148416 0.846822 0.888118 Fe\n0.352462 0.654121 0.110689 Fe\n0.442993 0.547960 0.702606 Sb\n0.944886 0.050888 0.699353 Sb\n0.066609 0.951324 0.293652 Sb\n0.556297 0.450682 0.303978 Sb\n0.855992 0.905004 0.835261 O\n0.359917 0.413621 0.852112 O\n0.647682 0.583788 0.157400 O\n0.159697 0.089500 0.121994 O\n0.449361 0.783732 0.920864 O\n0.947658 0.277750 0.941489 O\n0.048567 0.697256 0.055857 O\n0.548566 0.220511 0.077360 O\n0.542081 0.673602 0.544618 O\n0.026614 0.211908 0.583900 O\n0.945469 0.817725 0.473767 O\n0.457619 0.323094 0.464353 O\n0.280440 0.489034 0.252933 O\n0.735860 0.987367 0.222362 O\n0.225074 0.010457 0.742903 O\n0.719643 0.516178 0.759726 O\n0.171274 0.595358 0.658831 O\n0.663386 0.100468 0.668500 O\n0.355705 0.890757 0.338517 O\n0.829786 0.405321 0.347962 O\n",
"nsites": 40,
"nelements": 4,
"elements": [
"Li",
"Fe",
"Sb",
"O"
],
"chemical_system": "Fe-Li-O-Sb",
"density": 4.753792744590417,
"density_atomic": 0.09452024769686523,
"volume": 423.1897500764442,
"volume_molar": 6.371270607873921,
"formula_full": "Li10 Fe6 Sb4 O20",
"formula_reduced": "Li5Fe3(SbO5)2",
"formula_anonymous": "A2B3C5D10",
"energy": -262.58634499,
"energy_per_atom": -6.56465862475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -235.31034499,
"band_gap": 0.9907000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.001032,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.241000Z",
"spacegroup": 1
},
{
"id": "mp-1208943",
"created_at": "2022-09-04T14:43:22.613198Z",
"structure_string": "Sc1 Co2 Ge1\n1.0\n0.000000 2.983322 2.983322\n2.983322 0.000000 2.983322\n2.983322 2.983322 0.000000\nSc Co Ge\n1 2 1\ndirect\n0.500000 0.500000 0.500000 Sc\n0.250000 0.250000 0.250000 Co\n0.750000 0.750000 0.750000 Co\n0.000000 0.000000 0.000000 Ge\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Sc",
"Co",
"Ge"
],
"chemical_system": "Co-Ge-Sc",
"density": 7.362750690425548,
"density_atomic": 0.07532334590673055,
"volume": 53.10438552415099,
"volume_molar": 7.995052114993592,
"formula_full": "Sc1 Co2 Ge1",
"formula_reduced": "ScCo2Ge",
"formula_anonymous": "ABC2",
"energy": -27.05717516,
"energy_per_atom": -6.76429379,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.05717516,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.0059043,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:15.028000Z",
"spacegroup": 225
},
{
"id": "mp-1021354",
"created_at": "2022-09-04T14:43:22.576755Z",
"structure_string": "Mg6 Ti1 Cr1\n1.0\n6.224010 0.016203 0.000000\n-3.097973 5.365846 0.000000\n0.000000 0.000000 4.982599\nMg Ti Cr\n6 1 1\ndirect\n0.665680 0.331193 0.250000 Mg\n0.665680 0.834487 0.250000 Mg\n0.325019 0.162463 0.750000 Mg\n0.325019 0.662557 0.750000 Mg\n0.841647 0.170824 0.750000 Mg\n0.841737 0.670869 0.750000 Mg\n0.166949 0.333474 0.250000 Ti\n0.168269 0.834134 0.250000 Cr\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Mg",
"Ti",
"Cr"
],
"chemical_system": "Cr-Mg-Ti",
"density": 2.448078681655687,
"density_atomic": 0.0480035439907121,
"volume": 166.65436205184912,
"volume_molar": 12.545200331802974,
"formula_full": "Mg6 Ti1 Cr1",
"formula_reduced": "Mg6TiCr",
"formula_anonymous": "ABC6",
"energy": -25.35006658,
"energy_per_atom": -3.1687583225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -25.35006658,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.5618524,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.252000Z",
"spacegroup": 38
},
{
"id": "mp-1219428",
"created_at": "2022-09-04T14:43:22.578274Z",
"structure_string": "Sc4 Fe2 B4 Ru2 Rh8\n1.0\n9.369187 0.000000 0.000000\n0.000000 9.369187 0.000000\n0.000000 0.000000 3.032876\nSc Fe B Ru Rh\n4 2 4 2 8\ndirect\n0.674061 0.174061 0.000000 Sc\n0.325939 0.825939 0.000000 Sc\n0.174061 0.325939 0.000000 Sc\n0.825939 0.674061 0.000000 Sc\n0.500000 0.500000 0.000000 Fe\n0.000000 0.000000 0.000000 Fe\n0.122801 0.622801 0.000000 B\n0.877199 0.377199 0.000000 B\n0.622801 0.877199 0.000000 B\n0.377199 0.122801 0.000000 B\n0.500000 0.000000 0.500000 Ru\n0.000000 0.500000 0.500000 Ru\n0.571449 0.714814 0.500000 Rh\n0.428551 0.285186 0.500000 Rh\n0.071449 0.785186 0.500000 Rh\n0.928551 0.214814 0.500000 Rh\n0.285186 0.571449 0.500000 Rh\n0.714814 0.428551 0.500000 Rh\n0.214814 0.071449 0.500000 Rh\n0.785186 0.928551 0.500000 Rh\n",
"nsites": 20,
"nelements": 5,
"elements": [
"Sc",
"Fe",
"B",
"Ru",
"Rh"
],
"chemical_system": "B-Fe-Rh-Ru-Sc",
"density": 8.483494211170992,
"density_atomic": 0.07512275852900296,
"volume": 266.2309051427939,
"volume_molar": 8.016399927160563,
"formula_full": "Sc4 Fe2 B4 Ru2 Rh8",
"formula_reduced": "Sc2FeB2RuRh4",
"formula_anonymous": "ABC2D2E4",
"energy": -160.48726157,
"energy_per_atom": -8.024363078499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.48726157,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.1962676,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.698000Z",
"spacegroup": 127
},
{
"id": "mp-1027893",
"created_at": "2022-09-04T14:43:22.669747Z",
"structure_string": "Mg14 Zn1 Ga1\n1.0\n6.275586 0.000000 -0.000000\n-3.137793 5.434817 -0.000000\n0.000000 0.000000 10.262491\nMg Zn Ga\n14 1 1\ndirect\n0.165900 0.832950 0.125000 Mg\n0.166900 0.833449 0.625000 Mg\n0.667050 0.334100 0.125000 Mg\n0.666551 0.333100 0.625000 Mg\n0.667050 0.832950 0.125000 Mg\n0.666551 0.833449 0.625000 Mg\n0.330646 0.169354 0.373556 Mg\n0.330646 0.169354 0.876444 Mg\n0.330646 0.661292 0.373556 Mg\n0.330646 0.661292 0.876444 Mg\n0.838708 0.169354 0.373556 Mg\n0.838708 0.169354 0.876444 Mg\n0.833333 0.666667 0.373635 Mg\n0.833333 0.666667 0.876365 Mg\n0.166667 0.333333 0.125000 Zn\n0.166667 0.333333 0.625000 Ga\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Zn",
"Ga"
],
"chemical_system": "Ga-Mg-Zn",
"density": 2.255371571739168,
"density_atomic": 0.04571176419387184,
"volume": 350.0193064555792,
"volume_molar": 13.17415957620672,
"formula_full": "Mg14 Zn1 Ga1",
"formula_reduced": "Mg14ZnGa",
"formula_anonymous": "ABC14",
"energy": -27.08474348,
"energy_per_atom": -1.6927964675,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.08474348,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 8e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.874000Z",
"spacegroup": 187
},
{
"id": "mp-557634",
"created_at": "2022-09-04T14:43:22.766058Z",
"structure_string": "Na2 V6 P6 O24\n1.0\n-3.284192 5.339437 6.680157\n3.284192 -5.339437 6.680157\n3.284192 5.339437 -6.680157\nNa V P O\n2 6 6 24\ndirect\n0.250000 0.649384 0.399384 Na\n0.750000 0.350616 0.600616 Na\n0.386041 0.886041 0.000000 V\n0.000000 0.000000 0.000000 V\n0.113959 0.113959 0.500000 V\n0.613959 0.113959 0.000000 V\n0.886041 0.886041 0.500000 V\n0.500000 0.500000 0.000000 V\n0.676522 0.676522 0.500000 P\n0.176522 0.676522 0.000000 P\n0.750000 0.833432 0.083432 P\n0.250000 0.166568 0.916568 P\n0.823478 0.323478 0.000000 P\n0.323478 0.323478 0.500000 P\n0.365418 0.712256 0.065664 O\n0.649707 0.429149 0.349812 O\n0.920663 0.570851 0.220558 O\n0.344535 0.391581 0.047045 O\n0.134582 0.200245 0.346837 O\n0.655465 0.608419 0.952955 O\n0.853408 0.200245 0.065664 O\n0.079337 0.429149 0.779442 O\n0.420663 0.200105 0.349812 O\n0.865226 0.983903 0.349129 O\n0.146592 0.799755 0.934336 O\n0.646592 0.712256 0.346837 O\n0.353408 0.287744 0.653163 O\n0.634774 0.983903 0.118677 O\n0.365226 0.016097 0.881323 O\n0.155465 0.202510 0.047045 O\n0.634582 0.287744 0.934336 O\n0.844535 0.797490 0.952955 O\n0.865418 0.799755 0.653163 O\n0.149707 0.799895 0.220558 O\n0.850293 0.200105 0.779442 O\n0.350293 0.570851 0.650188 O\n0.134774 0.016097 0.650871 O\n0.579337 0.799895 0.650188 O\n",
"nsites": 38,
"nelements": 4,
"elements": [
"Na",
"V",
"P",
"O"
],
"chemical_system": "Na-O-P-V",
"density": 3.265527671349639,
"density_atomic": 0.08109852028976072,
"volume": 468.56588584141866,
"volume_molar": 7.425709789134511,
"formula_full": "Na2 V6 P6 O24",
"formula_reduced": "NaV3(PO4)3",
"formula_anonymous": "AB3C3D12",
"energy": -310.04085099,
"energy_per_atom": -8.158969762894737,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -283.35285099,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.0018859,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:16.050000Z",
"spacegroup": 74
},
{
"id": "mp-1214190",
"created_at": "2022-09-04T14:43:22.771873Z",
"structure_string": "Bi8 Se4\n1.0\n-2.116687 -3.666209 0.000000\n-2.116687 3.666209 0.000000\n0.000000 0.000000 -24.448134\nBi Se\n8 4\ndirect\n0.666667 0.333333 0.460297 Bi\n0.333333 0.666667 0.539703 Bi\n0.666667 0.333333 0.703979 Bi\n0.333333 0.666667 0.296021 Bi\n0.666667 0.333333 0.946636 Bi\n0.333333 0.666667 0.053364 Bi\n0.000000 0.000000 0.866280 Bi\n0.000000 0.000000 0.133720 Bi\n0.666667 0.333333 0.224081 Se\n0.333333 0.666667 0.775919 Se\n0.000000 0.000000 0.635910 Se\n0.000000 0.000000 0.364090 Se\n",
"nsites": 12,
"nelements": 2,
"elements": [
"Bi",
"Se"
],
"chemical_system": "Bi-Se",
"density": 8.698546508820444,
"density_atomic": 0.03162508281095863,
"volume": 379.4456467270275,
"volume_molar": 19.042292461328277,
"formula_full": "Bi8 Se4",
"formula_reduced": "Bi2Se",
"formula_anonymous": "AB2",
"energy": -48.80746436999999,
"energy_per_atom": -4.0672886974999996,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -46.91946437,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:14.274000Z",
"spacegroup": 164
},
{
"id": "mp-758157",
"created_at": "2022-09-04T14:43:22.776020Z",
"structure_string": "Na8 H4 Ru2 N12 O26\n1.0\n6.524938 4.000989 0.000000\n-6.524938 4.000989 0.000000\n0.000000 1.029929 12.248679\nNa H Ru N O\n8 4 2 12 26\ndirect\n0.722408 0.971990 0.380673 Na\n0.028010 0.277592 0.119327 Na\n0.277592 0.028010 0.619327 Na\n0.971990 0.722408 0.880673 Na\n0.344042 0.169869 0.306375 Na\n0.830131 0.655958 0.193625 Na\n0.655958 0.830131 0.693625 Na\n0.169869 0.344042 0.806375 Na\n0.467517 0.563265 0.312341 H\n0.436735 0.532483 0.187659 H\n0.532483 0.436735 0.687659 H\n0.563265 0.467517 0.812341 H\n0.000000 0.500000 0.500000 Ru\n0.500000 0.000000 0.000000 Ru\n0.012160 0.758816 0.432314 N\n0.241184 0.987840 0.067686 N\n0.987840 0.241184 0.567686 N\n0.758816 0.012160 0.932314 N\n0.697505 0.347512 0.484732 N\n0.652488 0.302495 0.015268 N\n0.302495 0.652488 0.515268 N\n0.347512 0.697505 0.984732 N\n0.042669 0.423707 0.343879 N\n0.576293 0.957331 0.156121 N\n0.957331 0.576293 0.656121 N\n0.423707 0.042669 0.843879 N\n0.156576 0.923176 0.444063 O\n0.076824 0.843424 0.055937 O\n0.843424 0.076824 0.555937 O\n0.923176 0.156576 0.944063 O\n0.878106 0.757369 0.375536 O\n0.242631 0.121894 0.124464 O\n0.121894 0.242631 0.624464 O\n0.757369 0.878106 0.875536 O\n0.634619 0.246223 0.403403 O\n0.753777 0.365381 0.096597 O\n0.365381 0.753777 0.596597 O\n0.246223 0.634619 0.903403 O\n0.570598 0.344023 0.554660 O\n0.655977 0.429402 0.945340 O\n0.429402 0.655977 0.445340 O\n0.344023 0.570598 0.054660 O\n0.057246 0.529731 0.259503 O\n0.470269 0.942754 0.240497 O\n0.942754 0.470269 0.740497 O\n0.529731 0.057246 0.759503 O\n0.049918 0.263433 0.329431 O\n0.736567 0.950082 0.170569 O\n0.950082 0.736567 0.670569 O\n0.263433 0.049918 0.829431 O\n0.497476 0.502524 0.250000 O\n0.502524 0.497476 0.750000 O\n",
"nsites": 52,
"nelements": 5,
"elements": [
"Na",
"H",
"Ru",
"N",
"O"
],
"chemical_system": "H-N-Na-O-Ru",
"density": 2.5293797560620317,
"density_atomic": 0.08130932354720238,
"volume": 639.5330539161664,
"volume_molar": 7.40645782953043,
"formula_full": "Na8 H4 Ru2 N12 O26",
"formula_reduced": "Na4H2RuN6O13",
"formula_anonymous": "AB2C4D6E13",
"energy": -332.15637830000003,
"energy_per_atom": -6.387622659615385,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -314.2943783,
"band_gap": 2.1724,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0046338,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:15.050000Z",
"spacegroup": 15
},
{
"id": "mp-13190",
"created_at": "2022-09-04T14:43:22.780082Z",
"structure_string": "K1 Rb2 Ga1 F6\n1.0\n0.000000 4.491797 4.491797\n4.491797 0.000000 4.491797\n4.491797 4.491797 0.000000\nK Rb Ga F\n1 2 1 6\ndirect\n0.500000 0.500000 0.500000 K\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Ga\n0.215090 0.215090 0.784910 F\n0.215090 0.784910 0.784910 F\n0.784910 0.784910 0.215090 F\n0.215090 0.784910 0.215090 F\n0.784910 0.215090 0.784910 F\n0.784910 0.215090 0.215090 F\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Rb",
"Ga",
"F"
],
"chemical_system": "F-Ga-K-Rb",
"density": 3.6072508922090134,
"density_atomic": 0.055170845813406616,
"volume": 181.25515120469626,
"volume_molar": 10.915440340297645,
"formula_full": "K1 Rb2 Ga1 F6",
"formula_reduced": "KRb2GaF6",
"formula_anonymous": "ABC2D6",
"energy": -48.26939788,
"energy_per_atom": -4.826939788,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -45.49739788,
"band_gap": 5.8494,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0002416,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:14.381000Z",
"spacegroup": 225
},
{
"id": "mp-1211898",
"created_at": "2022-09-04T14:43:23.024387Z",
"structure_string": "K1 Mg1 H1 C2 O10\n1.0\n5.133221 0.000000 0.000000\n1.420477 6.370965 0.000000\n0.930612 2.932616 6.158510\nK Mg H C O\n1 1 1 2 10\ndirect\n0.000000 0.500000 0.000000 K\n0.500000 0.000000 0.500000 Mg\n0.000000 0.000000 0.000000 H\n0.659311 0.205925 0.797200 C\n0.340689 0.794075 0.202800 C\n0.838979 0.178239 0.925448 O\n0.161021 0.821761 0.074552 O\n0.598606 0.634694 0.744787 O\n0.401394 0.365306 0.255213 O\n0.481295 0.398961 0.725180 O\n0.518705 0.601039 0.274820 O\n0.798409 0.711678 0.599588 O\n0.201591 0.288322 0.400412 O\n0.636372 0.052492 0.736295 O\n0.363628 0.947508 0.263705 O\n",
"nsites": 15,
"nelements": 5,
"elements": [
"K",
"Mg",
"H",
"C",
"O"
],
"chemical_system": "C-H-K-Mg-O",
"density": 2.048219188759833,
"density_atomic": 0.0744767002422163,
"volume": 201.40527106083326,
"volume_molar": 8.085939280895284,
"formula_full": "K1 Mg1 H1 C2 O10",
"formula_reduced": "KMgH(CO5)2",
"formula_anonymous": "ABCD2E10",
"energy": -90.95735178,
"energy_per_atom": -6.063823451999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -89.34735178,
"band_gap": 0.8211,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0022003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.759000Z",
"spacegroup": 2
},
{
"id": "mp-776553",
"created_at": "2022-09-04T14:43:22.616088Z",
"structure_string": "Li4 Mn2 V2 P4 H4 O20\n1.0\n5.469233 0.000000 0.000000\n-2.570430 6.956330 0.000000\n-1.188427 -3.370534 9.584148\nLi Mn V P H O\n4 2 2 4 4 20\ndirect\n0.107735 0.711602 0.541012 Li\n0.392560 0.783977 0.960683 Li\n0.613777 0.216761 0.037962 Li\n0.887785 0.286770 0.460895 Li\n0.252999 0.252804 0.751761 Mn\n0.500601 0.501407 0.500589 Mn\n0.744695 0.746255 0.249269 V\n0.000680 0.998720 0.998259 V\n0.088534 0.454672 0.222216 P\n0.589315 0.954996 0.720499 P\n0.403687 0.044743 0.277745 P\n0.916347 0.544834 0.779091 P\n0.218229 0.154816 0.488755 H\n0.289145 0.351744 0.011222 H\n0.711169 0.647802 0.987186 H\n0.783627 0.847967 0.513588 H\n0.043504 0.781032 0.851426 O\n0.150142 0.948353 0.328601 O\n0.148773 0.481843 0.826385 O\n0.335843 0.995422 0.115988 O\n0.147569 0.504091 0.381528 O\n0.267594 0.219795 0.942923 O\n0.459873 0.719235 0.648947 O\n0.240345 0.287397 0.556544 O\n0.344017 0.550983 0.171828 O\n0.630954 0.977057 0.321850 O\n0.357183 0.020975 0.680574 O\n0.669183 0.452583 0.833812 O\n0.761073 0.714353 0.445431 O\n0.531157 0.279869 0.349250 O\n0.736203 0.780926 0.056542 O\n0.851274 0.495018 0.619345 O\n0.665017 0.003510 0.882450 O\n0.860885 0.519689 0.172703 O\n0.834360 0.048241 0.664906 O\n0.964163 0.219758 0.148234 O\n",
"nsites": 36,
"nelements": 6,
"elements": [
"Li",
"Mn",
"V",
"P",
"H",
"O"
],
"chemical_system": "H-Li-Mn-O-P-V",
"density": 3.130563049959933,
"density_atomic": 0.09872846560045687,
"volume": 364.63647825428586,
"volume_molar": 6.09970055077219,
"formula_full": "Li4 Mn2 V2 P4 H4 O20",
"formula_reduced": "Li2MnVP2(HO5)2",
"formula_anonymous": "ABC2D2E2F10",
"energy": -264.8572706,
"energy_per_atom": -7.3571464055555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -244.3812706,
"band_gap": 0.2936000000000001,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 11.9999997,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:16.584000Z",
"spacegroup": 1
},
{
"id": "mp-11537",
"created_at": "2022-09-04T14:43:22.628829Z",
"structure_string": "Nb1 Al1 Ru2\n1.0\n0.000000 3.102159 3.102159\n3.102159 0.000000 3.102159\n3.102159 3.102159 0.000000\nNb Al Ru\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Nb\n0.000000 0.000000 0.000000 Al\n0.250000 0.250000 0.250000 Ru\n0.750000 0.750000 0.750000 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Al",
"Ru"
],
"chemical_system": "Al-Nb-Ru",
"density": 8.956131588802092,
"density_atomic": 0.0669942970733314,
"volume": 59.70657465995401,
"volume_molar": 8.989034922492305,
"formula_full": "Nb1 Al1 Ru2",
"formula_reduced": "NbAlRu2",
"formula_anonymous": "ABC2",
"energy": -34.9834678,
"energy_per_atom": -8.74586695,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -34.9834678,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0084929,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:17.586000Z",
"spacegroup": 225
}
]
}