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=-created_at&page=12124",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-created_at&page=12122",
"results": [
{
"id": "mp-1205447",
"created_at": "2022-09-04T14:39:07.590242Z",
"structure_string": "Mo8 N8\n1.0\n4.661058 3.885267 0.000000\n-4.661058 3.885267 0.000000\n0.000000 0.976421 5.015550\nMo N\n8 8\ndirect\n0.875052 0.875052 0.767900 Mo\n0.124948 0.124948 0.232100 Mo\n0.398504 0.025301 0.727326 Mo\n0.025301 0.398504 0.727326 Mo\n0.516500 0.516500 0.740291 Mo\n0.601496 0.974699 0.272674 Mo\n0.974699 0.601496 0.272674 Mo\n0.483500 0.483500 0.259709 Mo\n0.314400 0.685600 0.500000 N\n0.685600 0.314400 0.500000 N\n0.200150 0.457795 0.049989 N\n0.542205 0.799850 0.950011 N\n0.131140 0.868860 0.000000 N\n0.457795 0.200150 0.049989 N\n0.868860 0.131140 0.000000 N\n0.799850 0.542205 0.950011 N\n",
"nsites": 16,
"nelements": 2,
"elements": [
"Mo",
"N"
],
"chemical_system": "Mo-N",
"density": 8.04020916087256,
"density_atomic": 0.08807771642686632,
"volume": 181.6577523701503,
"volume_molar": 6.837303468239179,
"formula_full": "Mo8 N8",
"formula_reduced": "MoN",
"formula_anonymous": "AB",
"energy": -155.55013562,
"energy_per_atom": -9.72188347625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -152.66213562,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 5.4e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:28.442000Z",
"spacegroup": 12
},
{
"id": "mp-1197804",
"created_at": "2022-09-04T14:39:07.588140Z",
"structure_string": "Cu4 P16 S12 Br4\n1.0\n3.943984 -11.178205 0.000000\n3.943984 11.178205 0.000000\n0.000000 0.000000 10.536982\nCu P S Br\n4 16 12 4\ndirect\n0.804968 0.804968 0.500000 Cu\n0.304968 0.304968 0.000000 Cu\n0.195032 0.195032 0.500000 Cu\n0.695032 0.695032 0.000000 Cu\n0.714904 0.285096 0.472004 P\n0.285096 0.714904 0.527996 P\n0.785096 0.214904 0.972004 P\n0.214904 0.785096 0.027996 P\n0.618148 0.381852 0.712455 P\n0.381852 0.618148 0.287545 P\n0.881852 0.118148 0.212455 P\n0.118148 0.881852 0.787545 P\n0.723352 0.560999 0.541153 P\n0.560999 0.723352 0.458847 P\n0.060999 0.223352 0.041153 P\n0.223352 0.060999 0.958847 P\n0.276648 0.439001 0.458847 P\n0.439001 0.276648 0.541153 P\n0.939001 0.776648 0.958847 P\n0.776648 0.939001 0.041153 P\n0.862118 0.548958 0.433394 S\n0.548958 0.862118 0.566606 S\n0.048958 0.362118 0.933394 S\n0.362118 0.048958 0.066606 S\n0.137882 0.451042 0.566606 S\n0.451042 0.137882 0.433394 S\n0.951042 0.637882 0.066606 S\n0.637882 0.951042 0.933394 S\n0.710324 0.289676 0.673960 S\n0.289676 0.710324 0.326040 S\n0.789676 0.210324 0.173960 S\n0.210324 0.789676 0.826040 S\n0.972521 0.027479 0.675139 Br\n0.027479 0.972521 0.324861 Br\n0.527479 0.472521 0.175139 Br\n0.472521 0.527479 0.824861 Br\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Cu",
"P",
"S",
"Br"
],
"chemical_system": "Br-Cu-P-S",
"density": 2.599009702414009,
"density_atomic": 0.03874797871775756,
"volume": 929.0807208867851,
"volume_molar": 15.54181910717359,
"formula_full": "Cu4 P16 S12 Br4",
"formula_reduced": "CuP4S3Br",
"formula_anonymous": "ABC3D4",
"energy": -175.29947316,
"energy_per_atom": -4.86942981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -167.12747315999997,
"band_gap": 1.7399999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043817,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:32.159000Z",
"spacegroup": 64
},
{
"id": "mp-1181786",
"created_at": "2022-09-04T14:39:07.584424Z",
"structure_string": "H20 N8 Cl4\n1.0\n0.000000 9.636749 12.728090\n1.217604 0.000000 12.728090\n1.217604 9.636749 0.000000\nH N Cl\n20 8 4\ndirect\n0.532478 0.874813 0.254969 H\n0.337741 0.254969 0.874813 H\n0.375187 0.717522 0.912259 H\n0.995031 0.912259 0.717522 H\n0.818878 0.758737 0.907631 H\n0.514754 0.907631 0.758737 H\n0.491263 0.431122 0.735246 H\n0.342369 0.735246 0.431122 H\n0.927455 0.664861 0.983704 H\n0.423979 0.983704 0.664861 H\n0.585139 0.322545 0.826021 H\n0.266296 0.826021 0.322545 H\n0.891474 0.809774 0.910825 H\n0.387926 0.910825 0.809774 H\n0.440226 0.358526 0.862074 H\n0.339175 0.862074 0.358526 H\n0.360128 0.338356 0.757973 H\n0.543542 0.757973 0.338356 H\n0.911644 0.889872 0.706458 H\n0.492027 0.706458 0.889872 H\n0.576071 0.806440 0.313372 N\n0.304116 0.313372 0.806440 N\n0.443560 0.673929 0.945884 N\n0.936628 0.945884 0.673929 N\n0.839306 0.782830 0.973651 N\n0.404212 0.973651 0.782830 N\n0.467170 0.410694 0.845788 N\n0.276349 0.845788 0.410694 N\n0.649006 0.215219 0.313467 Cl\n0.822307 0.313467 0.215219 Cl\n0.034781 0.600994 0.427693 Cl\n0.936533 0.427693 0.600994 Cl\n",
"nsites": 32,
"nelements": 3,
"elements": [
"H",
"N",
"Cl"
],
"chemical_system": "Cl-H-N",
"density": 1.523380829934346,
"density_atomic": 0.10713222667319373,
"volume": 298.69630263184786,
"volume_molar": 5.621222434189207,
"formula_full": "H20 N8 Cl4",
"formula_reduced": "H5N2Cl",
"formula_anonymous": "AB2C5",
"energy": -148.24349101,
"energy_per_atom": -4.6326090940625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -142.89949101,
"band_gap": 0.815,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001373,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:30.624000Z",
"spacegroup": 43
},
{
"id": "mp-1193000",
"created_at": "2022-09-04T14:39:07.577882Z",
"structure_string": "Ni1 C4 S4 N2 O12\n1.0\n9.839377 -0.299748 1.130949\n3.103454 6.935435 2.669378\n-0.215170 0.553321 7.550313\nNi C S N O\n1 4 4 2 12\ndirect\n0.500000 0.000000 0.500000 Ni\n0.106419 0.372702 0.858319 C\n0.893581 0.627298 0.141681 C\n0.901472 0.142727 0.786202 C\n0.098528 0.857273 0.213798 C\n0.317337 0.580762 0.720656 S\n0.682663 0.419238 0.279344 S\n0.560342 0.164822 0.827265 S\n0.439658 0.835178 0.172735 S\n0.444170 0.372441 0.793242 N\n0.555830 0.627559 0.206758 N\n0.272153 0.657862 0.873776 O\n0.727847 0.342138 0.126224 O\n0.165235 0.270849 0.007119 O\n0.834765 0.729151 0.992881 O\n0.924979 0.184772 0.628280 O\n0.075021 0.815228 0.371720 O\n0.578610 0.107790 0.655853 O\n0.421390 0.892210 0.344147 O\n0.290195 0.092510 0.579739 O\n0.709805 0.907490 0.420261 O\n0.311593 0.226246 0.427410 O\n0.688407 0.773754 0.572590 O\n",
"nsites": 23,
"nelements": 5,
"elements": [
"Ni",
"C",
"S",
"N",
"O"
],
"chemical_system": "C-N-Ni-O-S",
"density": 1.4770416323908848,
"density_atomic": 0.04496325960025173,
"volume": 511.5287504616599,
"volume_molar": 13.393470165508832,
"formula_full": "Ni1 C4 S4 N2 O12",
"formula_reduced": "NiC4S4(NO6)2",
"formula_anonymous": "AB2C4D4E12",
"energy": -142.39299365,
"energy_per_atom": -6.190999723913043,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -137.19799365,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999619,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.279000Z",
"spacegroup": 2
},
{
"id": "mp-764903",
"created_at": "2022-09-04T14:39:07.577839Z",
"structure_string": "Li12 Fe2 O10 F2\n1.0\n-5.530552 0.000000 0.000000\n2.732952 4.911446 0.000000\n-0.024176 -0.278587 -10.543193\nLi Fe O F\n12 2 10 2\ndirect\n0.978572 0.319768 0.237556 Li\n0.656679 0.330295 0.070957 Li\n0.684732 0.325453 0.567644 Li\n0.739340 0.716567 0.235979 Li\n0.336700 0.975970 0.257744 Li\n0.384559 0.381317 0.364223 Li\n0.634596 0.961839 0.747672 Li\n0.336758 0.324960 0.740726 Li\n0.347054 0.665520 0.067681 Li\n0.325334 0.658038 0.574531 Li\n0.994117 0.379208 0.862699 Li\n0.989934 0.723335 0.743396 Li\n0.008644 0.001504 0.999199 Fe\n0.999269 0.998276 0.499213 Fe\n0.985902 0.028777 0.828679 O\n0.027959 0.038840 0.329415 O\n0.682588 0.973193 0.554568 O\n0.994684 0.700657 0.561584 O\n0.650557 0.340256 0.266063 O\n0.714622 0.693599 0.048586 O\n0.320450 0.302391 0.544239 O\n0.287562 0.643672 0.765040 O\n0.008021 0.317147 0.043611 O\n0.296826 0.994324 0.073440 O\n0.680960 0.333931 0.766328 F\n0.347661 0.644541 0.266896 F\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Li",
"Fe",
"O",
"F"
],
"chemical_system": "F-Fe-Li-O",
"density": 2.2785658582813784,
"density_atomic": 0.09078693153316089,
"volume": 286.3848305138854,
"volume_molar": 6.63326831108985,
"formula_full": "Li12 Fe2 O10 F2",
"formula_reduced": "Li6FeO5F",
"formula_anonymous": "ABC5D6",
"energy": -145.00107403,
"energy_per_atom": -5.576964385769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -132.69507403,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 5.9990952,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:32.973000Z",
"spacegroup": 1
},
{
"id": "mp-1176566",
"created_at": "2022-09-04T14:39:07.575763Z",
"structure_string": "Li4 Ti4 Si4 O16\n1.0\n5.731590 0.000000 0.000000\n0.000000 5.731590 0.000000\n0.000000 0.000000 8.169048\nLi Ti Si O\n4 4 4 16\ndirect\n0.000000 0.221078 0.000000 Li\n0.000000 0.778922 0.500000 Li\n0.221078 0.000000 0.250000 Li\n0.778922 0.000000 0.750000 Li\n0.243866 0.500000 0.250000 Ti\n0.500000 0.243866 0.000000 Ti\n0.500000 0.756134 0.500000 Ti\n0.756134 0.500000 0.750000 Ti\n0.248304 0.248304 0.625000 Si\n0.248304 0.751696 0.875000 Si\n0.751696 0.248304 0.375000 Si\n0.751696 0.751696 0.125000 Si\n0.989286 0.257909 0.260904 O\n0.989286 0.742091 0.239096 O\n0.257909 0.989286 0.989096 O\n0.257909 0.010714 0.510904 O\n0.256238 0.513413 0.994489 O\n0.256238 0.486587 0.505511 O\n0.513413 0.256238 0.255511 O\n0.513413 0.743762 0.244489 O\n0.486587 0.256238 0.744489 O\n0.486587 0.743762 0.755511 O\n0.743762 0.486587 0.494489 O\n0.743762 0.513413 0.005511 O\n0.742091 0.010714 0.489096 O\n0.742091 0.989286 0.010904 O\n0.010714 0.257909 0.739096 O\n0.010714 0.742091 0.760904 O\n",
"nsites": 28,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Si",
"O"
],
"chemical_system": "Li-O-Si-Ti",
"density": 3.635656896975306,
"density_atomic": 0.10433652084674601,
"volume": 268.3624082225974,
"volume_molar": 5.771843560746653,
"formula_full": "Li4 Ti4 Si4 O16",
"formula_reduced": "LiTiSiO4",
"formula_anonymous": "ABCD4",
"energy": -225.38669733,
"energy_per_atom": -8.049524904642857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -214.39469733,
"band_gap": 0.0482999999999993,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0013116,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.420000Z",
"spacegroup": 95
},
{
"id": "mp-1228355",
"created_at": "2022-09-04T14:39:07.572108Z",
"structure_string": "Ba8 Sn2 Ge4 S16 Br4\n1.0\n9.107169 0.000000 0.000000\n0.000000 9.292780 0.000000\n0.000000 0.000000 12.108653\nBa Sn Ge S Br\n8 2 4 16 4\ndirect\n0.886345 0.741335 0.082040 Ba\n0.602221 0.255450 0.572676 Ba\n0.102221 0.244550 0.427324 Ba\n0.386345 0.758665 0.917960 Ba\n0.102221 0.755450 0.427324 Ba\n0.386345 0.241335 0.917960 Ba\n0.886345 0.258665 0.082040 Ba\n0.602221 0.744550 0.572676 Ba\n0.022795 0.500000 0.732013 Sn\n0.522795 0.000000 0.267987 Sn\n0.693913 0.500000 0.849780 Ge\n0.799028 0.500000 0.339930 Ge\n0.299028 0.000000 0.660070 Ge\n0.193913 0.000000 0.150220 Ge\n0.829872 0.692568 0.806845 S\n0.702155 0.285622 0.312564 S\n0.202155 0.214378 0.687436 S\n0.329872 0.807432 0.193155 S\n0.202155 0.785622 0.687436 S\n0.329872 0.192568 0.193155 S\n0.829872 0.307432 0.806845 S\n0.702155 0.714378 0.312564 S\n0.630729 0.500000 0.027032 S\n0.862397 0.500000 0.526135 S\n0.362397 0.000000 0.473865 S\n0.130729 0.000000 0.972968 S\n0.989688 0.000000 0.249441 S\n0.513821 0.000000 0.750707 S\n0.013821 0.500000 0.249293 S\n0.489688 0.500000 0.750559 S\n0.143780 0.500000 0.973221 Br\n0.357362 0.500000 0.463474 Br\n0.857362 0.000000 0.536526 Br\n0.643780 0.000000 0.026779 Br\n",
"nsites": 34,
"nelements": 5,
"elements": [
"Ba",
"Sn",
"Ge",
"S",
"Br"
],
"chemical_system": "Ba-Br-Ge-S-Sn",
"density": 3.9849900887377023,
"density_atomic": 0.03317829252536153,
"volume": 1024.7664184047553,
"volume_molar": 18.150845934572033,
"formula_full": "Ba8 Sn2 Ge4 S16 Br4",
"formula_reduced": "Ba4SnGe2(S4Br)2",
"formula_anonymous": "AB2C2D4E8",
"energy": -171.15917185,
"energy_per_atom": -5.034093289705883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.97517185000004,
"band_gap": 1.9955,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0076808,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.933000Z",
"spacegroup": 31
},
{
"id": "mp-1198040",
"created_at": "2022-09-04T14:39:07.571490Z",
"structure_string": "Er20 Pb16\n1.0\n-8.138910 0.000000 0.000000\n0.000000 0.000000 -8.195404\n0.000000 -15.572827 0.000000\nEr Pb\n20 16\ndirect\n0.377624 0.840121 0.879844 Er\n0.877624 0.659879 0.620156 Er\n0.622376 0.159879 0.379844 Er\n0.122376 0.340121 0.120156 Er\n0.622376 0.159879 0.120156 Er\n0.122376 0.340121 0.379844 Er\n0.377624 0.840121 0.620156 Er\n0.877624 0.659879 0.879844 Er\n0.534389 0.322806 0.899947 Er\n0.034389 0.177194 0.600053 Er\n0.465611 0.677194 0.399947 Er\n0.965611 0.822806 0.100053 Er\n0.465611 0.677194 0.100053 Er\n0.965611 0.822806 0.399947 Er\n0.534389 0.322806 0.600053 Er\n0.034389 0.177194 0.899947 Er\n0.208592 0.503695 0.750000 Er\n0.708592 0.996305 0.750000 Er\n0.791408 0.496305 0.250000 Er\n0.291408 0.003695 0.250000 Er\n0.280571 0.031814 0.042278 Pb\n0.780571 0.468186 0.457722 Pb\n0.719429 0.968186 0.542278 Pb\n0.219429 0.531814 0.957722 Pb\n0.719429 0.968186 0.957722 Pb\n0.219429 0.531814 0.542278 Pb\n0.280571 0.031814 0.457722 Pb\n0.780571 0.468186 0.042278 Pb\n0.571580 0.627340 0.750000 Pb\n0.071580 0.872660 0.750000 Pb\n0.428420 0.372660 0.250000 Pb\n0.928420 0.127340 0.250000 Pb\n0.345658 0.151472 0.750000 Pb\n0.845658 0.348528 0.750000 Pb\n0.654342 0.848528 0.250000 Pb\n0.154342 0.651472 0.250000 Pb\n",
"nsites": 36,
"nelements": 2,
"elements": [
"Er",
"Pb"
],
"chemical_system": "Er-Pb",
"density": 10.647411354479983,
"density_atomic": 0.03465759547389991,
"volume": 1038.7333427995902,
"volume_molar": 17.37610667345685,
"formula_full": "Er20 Pb16",
"formula_reduced": "Er5Pb4",
"formula_anonymous": "A4B5",
"energy": -168.59129575,
"energy_per_atom": -4.683091548611111,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -168.59129575,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2763161,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:40.649000Z",
"spacegroup": 62
},
{
"id": "mp-11438",
"created_at": "2022-09-04T14:39:07.567307Z",
"structure_string": "Sc1 Ga6 Fe6\n1.0\n-2.496677 4.215819 4.299126\n2.496677 -4.215819 4.299126\n2.496677 4.215819 -4.299126\nSc Ga Fe\n1 6 6\ndirect\n0.000000 0.000000 0.000000 Sc\n0.326554 0.000000 0.326554 Ga\n0.340610 0.340610 0.000000 Ga\n0.659390 0.659390 0.000000 Ga\n0.823362 0.323362 0.500000 Ga\n0.176638 0.676638 0.500000 Ga\n0.673446 0.000000 0.673446 Ga\n0.756276 0.500000 0.256276 Fe\n0.000000 0.000000 0.500000 Fe\n0.000000 0.500000 0.000000 Fe\n0.500000 0.000000 0.000000 Fe\n0.500000 0.500000 0.500000 Fe\n0.243724 0.500000 0.743724 Fe\n",
"nsites": 13,
"nelements": 3,
"elements": [
"Sc",
"Ga",
"Fe"
],
"chemical_system": "Fe-Ga-Sc",
"density": 7.324289682023164,
"density_atomic": 0.07182222745762393,
"volume": 181.00246205354983,
"volume_molar": 8.384786956869505,
"formula_full": "Sc1 Ga6 Fe6",
"formula_reduced": "Sc(GaFe)6",
"formula_anonymous": "AB6C6",
"energy": -79.48143934,
"energy_per_atom": -6.113956872307692,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -79.48143934,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 10.9148641,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.394000Z",
"spacegroup": 71
},
{
"id": "mp-1048325",
"created_at": "2022-09-04T14:39:07.566593Z",
"structure_string": "Ba4 Y2 Cr6 O14\n1.0\n3.934750 4.031783 -0.000005\n-3.934755 4.031788 0.000003\n-0.000012 -0.000002 11.631823\nBa Y Cr O\n4 2 6 14\ndirect\n0.500019 0.999990 0.818682 Ba\n0.000017 0.499986 0.818682 Ba\n0.500020 0.999987 0.181311 Ba\n0.000023 0.499986 0.181311 Ba\n0.499987 0.000004 0.500032 Y\n0.999988 0.500005 0.500032 Y\n0.999961 0.000048 0.999888 Cr\n0.499991 0.500003 0.647093 Cr\n0.499992 0.499996 0.352912 Cr\n0.499960 0.500051 0.999886 Cr\n0.999993 0.000005 0.647092 Cr\n0.999992 0.999997 0.352945 Cr\n0.250037 0.249974 0.999963 O\n0.750038 0.749970 0.999962 O\n0.749995 0.249992 0.622239 O\n0.249984 0.750006 0.622239 O\n0.749984 0.250009 0.377855 O\n0.249997 0.749994 0.377854 O\n0.749990 0.750011 0.623432 O\n0.249986 0.250001 0.623432 O\n0.749985 0.749996 0.376637 O\n0.249993 0.250005 0.376637 O\n0.500016 0.499999 0.823147 O\n0.000015 0.999998 0.823148 O\n0.500021 0.499995 0.176793 O\n0.000015 0.999995 0.176802 O\n",
"nsites": 26,
"nelements": 4,
"elements": [
"Ba",
"Y",
"Cr",
"O"
],
"chemical_system": "Ba-Cr-O-Y",
"density": 5.683162223710282,
"density_atomic": 0.07044995641301428,
"volume": 369.05629646630973,
"volume_molar": 8.548111406478492,
"formula_full": "Ba4 Y2 Cr6 O14",
"formula_reduced": "Ba2YCr3O7",
"formula_anonymous": "AB2C3D7",
"energy": -218.21139349,
"energy_per_atom": -8.392745903461538,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -196.59939349,
"band_gap": 0.0078000000000004,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:25.240000Z",
"spacegroup": 47
},
{
"id": "mp-976397",
"created_at": "2022-09-04T14:39:07.557774Z",
"structure_string": "Ho3 In4 Co2\n1.0\n4.058342 -7.029254 0.000000\n4.058342 7.029254 0.000000\n0.000000 0.000000 3.533608\nHo In Co\n3 4 2\ndirect\n0.258596 0.003640 0.500000 Ho\n0.996360 0.254956 0.500000 Ho\n0.745044 0.741404 0.500000 Ho\n0.666667 0.333333 0.500000 In\n0.043873 0.628837 0.000000 In\n0.371163 0.415036 0.000000 In\n0.584964 0.956127 0.000000 In\n0.000000 0.000000 0.000000 Co\n0.333333 0.666667 0.500000 Co\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Ho",
"In",
"Co"
],
"chemical_system": "Co-Ho-In",
"density": 8.82894914553218,
"density_atomic": 0.04464124159123508,
"volume": 201.6072958366613,
"volume_molar": 13.49008348634818,
"formula_full": "Ho3 In4 Co2",
"formula_reduced": "Ho3(In2Co)2",
"formula_anonymous": "A2B3C4",
"energy": -40.99259353,
"energy_per_atom": -4.554732614444444,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -40.99259353,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1638992,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:28.989000Z",
"spacegroup": 174
},
{
"id": "mp-11255",
"created_at": "2022-09-04T14:39:07.548558Z",
"structure_string": "Pr1 Au1\n1.0\n3.749867 0.000000 0.000000\n0.000000 3.749867 0.000000\n0.000000 0.000000 3.749867\nPr Au\n1 1\ndirect\n0.500000 0.500000 0.500000 Pr\n0.000000 0.000000 0.000000 Au\n",
"nsites": 2,
"nelements": 2,
"elements": [
"Pr",
"Au"
],
"chemical_system": "Au-Pr",
"density": 10.640365806109546,
"density_atomic": 0.03792996153069996,
"volume": 52.728764261498895,
"volume_molar": 15.87700202418019,
"formula_full": "Pr1 Au1",
"formula_reduced": "PrAu",
"formula_anonymous": "AB",
"energy": -9.52816996,
"energy_per_atom": -4.76408498,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.52816996,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.67e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.341000Z",
"spacegroup": 221
}
]
}