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_stable&page=69",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-is_stable&page=67",
"results": [
{
"id": "mp-1183879",
"created_at": "2022-09-04T14:46:23.483466Z",
"structure_string": "Eu2 Hg1 Bi1\n1.0\n0.000000 3.985427 3.985427\n3.985427 0.000000 3.985427\n3.985427 3.985427 0.000000\nEu Hg Bi\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Eu\n0.750000 0.750000 0.750000 Eu\n0.000000 0.000000 0.000000 Hg\n0.500000 0.500000 0.500000 Bi\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Eu",
"Hg",
"Bi"
],
"chemical_system": "Bi-Eu-Hg",
"density": 9.358096715879663,
"density_atomic": 0.031594058620563914,
"volume": 126.60608274609211,
"volume_molar": 19.060991284229353,
"formula_full": "Eu2 Hg1 Bi1",
"formula_reduced": "Eu2HgBi",
"formula_anonymous": "ABC2",
"energy": -27.56807361,
"energy_per_atom": -6.8920184025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.56807361,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 14.7744249,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:34.549000Z",
"spacegroup": 225
},
{
"id": "mp-13323",
"created_at": "2022-09-04T14:46:08.558130Z",
"structure_string": "Ba2 Eu1 Nb1 O6\n1.0\n-3.036398 3.036398 4.353163\n3.036398 -3.036398 4.353163\n3.036398 3.036398 -4.353163\nBa Eu Nb O\n2 1 1 6\ndirect\n0.250000 0.750000 0.500000 Ba\n0.750000 0.250000 0.500000 Ba\n0.000000 0.000000 0.000000 Eu\n0.500000 0.500000 0.000000 Nb\n0.774256 0.690995 0.465251 O\n0.690995 0.225744 0.916740 O\n0.309005 0.774256 0.083260 O\n0.225744 0.309005 0.534749 O\n0.266659 0.266659 0.000000 O\n0.733341 0.733341 0.000000 O\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Ba",
"Eu",
"Nb",
"O"
],
"chemical_system": "Ba-Eu-Nb-O",
"density": 6.36662840953142,
"density_atomic": 0.06228990751874028,
"volume": 160.53965077715748,
"volume_molar": 9.667923745412857,
"formula_full": "Ba2 Eu1 Nb1 O6",
"formula_reduced": "Ba2EuNbO6",
"formula_anonymous": "ABC2D6",
"energy": -86.10643599,
"energy_per_atom": -8.610643599,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -81.98443599,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0044042,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:28.770000Z",
"spacegroup": 87
},
{
"id": "mp-1280055",
"created_at": "2022-09-04T14:46:08.560528Z",
"structure_string": "Li3 V2 O3 F3\n1.0\n3.289157 -0.034234 -0.005695\n-1.677100 0.962834 13.407292\n1.674707 -2.786710 -0.007075\nLi V O F\n3 2 3 3\ndirect\n0.140769 0.423656 0.135221 Li\n0.264532 0.783636 0.260053 Li\n0.869051 0.603694 0.866628 Li\n0.998380 0.994506 0.001622 V\n0.739270 0.222185 0.747684 V\n0.082748 0.250650 0.071597 O\n0.313841 0.932841 0.316997 O\n0.692146 0.078742 0.690074 O\n0.188812 0.566473 0.179503 F\n0.797292 0.390645 0.800184 F\n0.918943 0.745826 0.920744 F\n",
"nsites": 11,
"nelements": 4,
"elements": [
"Li",
"V",
"O",
"F"
],
"chemical_system": "F-Li-O-V",
"density": 3.097125524886423,
"density_atomic": 0.09010325714770966,
"volume": 122.08215716294569,
"volume_molar": 6.683599406542738,
"formula_full": "Li3 V2 O3 F3",
"formula_reduced": "Li3V2(OF)3",
"formula_anonymous": "A2B3C3D3",
"energy": -75.21370705,
"energy_per_atom": -6.837609731818182,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -68.36670705,
"band_gap": 0.6251,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.999213,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.292000Z",
"spacegroup": 8
},
{
"id": "mp-697084",
"created_at": "2022-09-04T14:46:08.568771Z",
"structure_string": "H4 Pb4 I4 O4\n1.0\n4.259886 0.000000 0.000000\n0.000000 7.945161 0.000000\n0.000000 0.000000 10.642733\nH Pb I O\n4 4 4 4\ndirect\n0.250000 0.811143 0.109416 H\n0.250000 0.311143 0.390584 H\n0.750000 0.188857 0.890584 H\n0.750000 0.688857 0.609416 H\n0.250000 0.681789 0.419093 Pb\n0.250000 0.181789 0.080907 Pb\n0.750000 0.318211 0.580907 Pb\n0.750000 0.818211 0.919093 Pb\n0.750000 0.547215 0.179061 I\n0.750000 0.047215 0.320939 I\n0.250000 0.452785 0.820939 I\n0.250000 0.952785 0.679061 I\n0.250000 0.883187 0.035045 O\n0.250000 0.383187 0.464955 O\n0.750000 0.116813 0.964955 O\n0.750000 0.616813 0.535045 O\n",
"nsites": 16,
"nelements": 4,
"elements": [
"H",
"Pb",
"I",
"O"
],
"chemical_system": "H-I-O-Pb",
"density": 6.47441718919521,
"density_atomic": 0.044418729937647124,
"volume": 360.2084080850585,
"volume_molar": 13.557660852648402,
"formula_full": "H4 Pb4 I4 O4",
"formula_reduced": "HPbIO",
"formula_anonymous": "ABCD",
"energy": -73.75970808999999,
"energy_per_atom": -4.609981755624999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.49570809,
"band_gap": 2.7209,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013106,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.577000Z",
"spacegroup": 62
},
{
"id": "mp-985471",
"created_at": "2022-09-04T14:46:08.579084Z",
"structure_string": "Ce2 Zn1 Hg1\n1.0\n0.000000 3.758266 3.758266\n3.758266 0.000000 3.758266\n3.758266 3.758266 0.000000\nCe Zn Hg\n2 1 1\ndirect\n0.750000 0.750000 0.750000 Ce\n0.250000 0.250000 0.250000 Ce\n0.000000 0.000000 0.000000 Zn\n0.500000 0.500000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ce",
"Zn",
"Hg"
],
"chemical_system": "Ce-Hg-Zn",
"density": 8.543442492577936,
"density_atomic": 0.03767623095946554,
"volume": 106.16773223158792,
"volume_molar": 15.983925691715285,
"formula_full": "Ce2 Zn1 Hg1",
"formula_reduced": "Ce2ZnHg",
"formula_anonymous": "ABC2",
"energy": -14.2576102,
"energy_per_atom": -3.56440255,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.2576102,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.3292882,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:21.494000Z",
"spacegroup": 225
},
{
"id": "mp-1235319",
"created_at": "2022-09-04T14:46:08.580485Z",
"structure_string": "Li1 Sc4 Fe4 O12\n1.0\n5.125695 0.053073 -0.091401\n0.056753 5.443303 -0.006878\n-0.135918 -0.011921 8.045383\nLi Sc Fe O\n1 4 4 12\ndirect\n0.372711 0.198940 0.144937 Li\n0.040339 0.937517 0.745262 Sc\n0.465436 0.436791 0.756752 Sc\n0.537729 0.604111 0.248808 Sc\n0.936274 0.067929 0.256586 Sc\n0.990054 0.492463 0.994708 Fe\n0.006137 0.504519 0.493745 Fe\n0.544584 0.956635 0.944690 Fe\n0.492332 0.012293 0.503401 Fe\n0.161026 0.426676 0.253745 O\n0.195215 0.213478 0.587924 O\n0.194709 0.181106 0.924088 O\n0.298131 0.709295 0.593920 O\n0.302980 0.672923 0.930859 O\n0.323031 0.932219 0.280440 O\n0.669990 0.091625 0.726387 O\n0.694889 0.302675 0.076051 O\n0.693876 0.311888 0.409553 O\n0.807285 0.792659 0.095103 O\n0.796758 0.806224 0.424584 O\n0.839015 0.585533 0.758460 O\n",
"nsites": 21,
"nelements": 4,
"elements": [
"Li",
"Sc",
"Fe",
"O"
],
"chemical_system": "Fe-Li-O-Sc",
"density": 4.456163241456759,
"density_atomic": 0.09359133701914353,
"volume": 224.37974142526224,
"volume_molar": 6.434506602644438,
"formula_full": "Li1 Sc4 Fe4 O12",
"formula_reduced": "LiSc4(FeO3)4",
"formula_anonymous": "AB4C4D12",
"energy": -176.25907506,
"energy_per_atom": -8.393289288571427,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -158.99107506,
"band_gap": 1.3144,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 18.999906,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:25.476000Z",
"spacegroup": 1
},
{
"id": "mp-768636",
"created_at": "2022-09-04T14:46:08.582957Z",
"structure_string": "Li4 Bi8 B4 O20\n1.0\n5.779456 0.000000 0.000000\n0.000000 7.118175 0.000000\n0.000000 0.000000 11.301952\nLi Bi B O\n4 8 4 20\ndirect\n0.223544 0.750000 0.345937 Li\n0.276456 0.250000 0.845937 Li\n0.723544 0.750000 0.154063 Li\n0.776456 0.250000 0.654063 Li\n0.229187 0.992519 0.101100 Bi\n0.229187 0.507481 0.101100 Bi\n0.270813 0.007481 0.601100 Bi\n0.270813 0.492519 0.601100 Bi\n0.729187 0.992519 0.398900 Bi\n0.729187 0.507481 0.398900 Bi\n0.770813 0.007481 0.898900 Bi\n0.770813 0.492519 0.898900 Bi\n0.189833 0.250000 0.357653 B\n0.310167 0.750000 0.857653 B\n0.689833 0.250000 0.142347 B\n0.810167 0.750000 0.642347 B\n0.036362 0.250000 0.967554 O\n0.126102 0.079227 0.413067 O\n0.126102 0.420773 0.413067 O\n0.184725 0.750000 0.755474 O\n0.110064 0.250000 0.692586 O\n0.389936 0.750000 0.192586 O\n0.315275 0.250000 0.255474 O\n0.373898 0.579227 0.913067 O\n0.373898 0.920773 0.913067 O\n0.463638 0.750000 0.467554 O\n0.536362 0.250000 0.532446 O\n0.626102 0.079227 0.086933 O\n0.626102 0.420773 0.086933 O\n0.684725 0.750000 0.744526 O\n0.610064 0.250000 0.807414 O\n0.889936 0.750000 0.307414 O\n0.815275 0.250000 0.244526 O\n0.873898 0.920773 0.586933 O\n0.873898 0.579227 0.586933 O\n0.963638 0.750000 0.032446 O\n",
"nsites": 36,
"nelements": 4,
"elements": [
"Li",
"Bi",
"B",
"O"
],
"chemical_system": "B-Bi-Li-O",
"density": 7.367249738503235,
"density_atomic": 0.07742717601876996,
"volume": 464.9530287824633,
"volume_molar": 7.777812739212015,
"formula_full": "Li4 Bi8 B4 O20",
"formula_reduced": "LiBi2BO5",
"formula_anonymous": "ABC2D5",
"energy": -237.98885168,
"energy_per_atom": -6.6108014355555555,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -224.24885168,
"band_gap": 1.731800000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.48e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:22.538000Z",
"spacegroup": 62
},
{
"id": "mp-771825",
"created_at": "2022-09-04T14:46:08.584122Z",
"structure_string": "Er8 Ti4 O20\n1.0\n3.607802 0.000000 0.000000\n0.000000 7.449755 0.000000\n0.000000 0.000000 15.438418\nEr Ti O\n8 4 20\ndirect\n0.250000 0.100886 0.084058 Er\n0.250000 0.162037 0.737489 Er\n0.750000 0.337963 0.237489 Er\n0.750000 0.399114 0.584058 Er\n0.250000 0.600886 0.415942 Er\n0.250000 0.662037 0.762511 Er\n0.750000 0.837963 0.262511 Er\n0.750000 0.899114 0.915942 Er\n0.250000 0.114115 0.423305 Ti\n0.750000 0.385885 0.923305 Ti\n0.250000 0.614115 0.076695 Ti\n0.750000 0.885885 0.576695 Ti\n0.750000 0.069268 0.174182 O\n0.750000 0.073944 0.453132 O\n0.750000 0.121977 0.648455 O\n0.750000 0.156933 0.994934 O\n0.250000 0.245972 0.322094 O\n0.750000 0.254028 0.822094 O\n0.250000 0.343067 0.494934 O\n0.250000 0.378023 0.148455 O\n0.250000 0.426056 0.953132 O\n0.250000 0.430732 0.674182 O\n0.750000 0.569268 0.325818 O\n0.750000 0.573944 0.046868 O\n0.750000 0.621977 0.851545 O\n0.750000 0.656933 0.505066 O\n0.250000 0.745972 0.177906 O\n0.750000 0.754028 0.677906 O\n0.250000 0.843067 0.005066 O\n0.250000 0.878023 0.351545 O\n0.250000 0.926056 0.546868 O\n0.250000 0.930732 0.825818 O\n",
"nsites": 32,
"nelements": 3,
"elements": [
"Er",
"Ti",
"O"
],
"chemical_system": "Er-O-Ti",
"density": 7.401547442164745,
"density_atomic": 0.07711919677485297,
"volume": 414.94208106735056,
"volume_molar": 7.808873810734114,
"formula_full": "Er8 Ti4 O20",
"formula_reduced": "Er2TiO5",
"formula_anonymous": "AB2C5",
"energy": -290.6899949,
"energy_per_atom": -9.084062340625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -276.9499949,
"band_gap": 2.9668999999999994,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1.91e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.930000Z",
"spacegroup": 62
},
{
"id": "mp-1207679",
"created_at": "2022-09-04T14:46:08.588526Z",
"structure_string": "Yb4 Ge6 Pt18\n1.0\n3.897911 6.716215 0.000000\n-3.897911 6.716215 0.000000\n0.000000 4.477203 9.006966\nYb Ge Pt\n4 6 18\ndirect\n0.415569 0.245099 0.750570 Yb\n0.584431 0.754901 0.249430 Yb\n0.754901 0.584431 0.749430 Yb\n0.245099 0.415569 0.250570 Yb\n0.500000 0.000000 0.500000 Ge\n0.000000 0.500000 0.000000 Ge\n0.639145 0.181461 0.997794 Ge\n0.360855 0.818539 0.002206 Ge\n0.818539 0.360855 0.502206 Ge\n0.181461 0.639145 0.497794 Ge\n0.294608 0.916159 0.757037 Pt\n0.705392 0.083841 0.242963 Pt\n0.083841 0.705392 0.742963 Pt\n0.916159 0.294608 0.257037 Pt\n0.477121 0.640942 0.577223 Pt\n0.522879 0.359058 0.422777 Pt\n0.359058 0.522879 0.922777 Pt\n0.640942 0.477121 0.077223 Pt\n0.866339 0.133661 0.750000 Pt\n0.133661 0.866339 0.250000 Pt\n0.805044 0.980193 0.568504 Pt\n0.194956 0.019807 0.431496 Pt\n0.019807 0.194956 0.931496 Pt\n0.980193 0.805044 0.068504 Pt\n0.694062 0.859299 0.922139 Pt\n0.305938 0.140701 0.077861 Pt\n0.140701 0.305938 0.577861 Pt\n0.859299 0.694062 0.422139 Pt\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"Pt"
],
"chemical_system": "Ge-Pt-Yb",
"density": 16.3364004901076,
"density_atomic": 0.059373548173179684,
"volume": 471.59047861397994,
"volume_molar": 10.142800868889847,
"formula_full": "Yb4 Ge6 Pt18",
"formula_reduced": "Yb2(GePt3)3",
"formula_anonymous": "A2B3C9",
"energy": -163.06297816,
"energy_per_atom": -5.823677791428572,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -163.06297816,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0012563,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:27.634000Z",
"spacegroup": 15
},
{
"id": "mp-1225697",
"created_at": "2022-09-04T14:46:27.509344Z",
"structure_string": "Cu1 P1 Se2\n1.0\n2.130306 -3.689798 0.000000\n2.130306 3.689798 0.000000\n0.000000 0.000000 5.798285\nCu P Se\n1 1 2\ndirect\n0.000000 0.000000 0.486539 Cu\n0.666667 0.333333 0.989742 P\n0.000000 0.000000 0.902115 Se\n0.666667 0.333333 0.381604 Se\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Cu",
"P",
"Se"
],
"chemical_system": "Cu-P-Se",
"density": 4.598675063678578,
"density_atomic": 0.043881943689274706,
"volume": 91.15366512303441,
"volume_molar": 13.7235050540204,
"formula_full": "Cu1 P1 Se2",
"formula_reduced": "CuPSe2",
"formula_anonymous": "ABC2",
"energy": -17.28537218,
"energy_per_atom": -4.321343045,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.34137218,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.39e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:36.748000Z",
"spacegroup": 156
},
{
"id": "mp-1228704",
"created_at": "2022-09-04T14:46:08.588754Z",
"structure_string": "Ca2 Pr19 Co3 I36\n1.0\n10.022092 0.000000 0.000000\n-2.916054 9.619595 0.000000\n-1.718411 -2.292653 26.299836\nCa Pr Co I\n2 19 3 36\ndirect\n0.166599 0.166614 0.833369 Ca\n0.833401 0.833386 0.166631 Ca\n0.573271 0.501989 0.898801 Pr\n0.239071 0.168361 0.232811 Pr\n0.907353 0.836763 0.566801 Pr\n0.409933 0.205459 0.990762 Pr\n0.076731 0.874230 0.323852 Pr\n0.744385 0.541352 0.658175 Pr\n0.235432 0.505503 0.967499 Pr\n0.900213 0.171195 0.300456 Pr\n0.567477 0.839575 0.634608 Pr\n0.760929 0.831639 0.767189 Pr\n0.426729 0.498011 0.101199 Pr\n0.092647 0.163237 0.433199 Pr\n0.923269 0.125770 0.676148 Pr\n0.590067 0.794541 0.009238 Pr\n0.255615 0.458648 0.341825 Pr\n0.099787 0.828805 0.699544 Pr\n0.764568 0.494497 0.032501 Pr\n0.432523 0.160425 0.365392 Pr\n0.500000 0.500000 0.500000 Pr\n0.833064 0.833023 0.666590 Co\n0.500000 0.500000 0.000000 Co\n0.166936 0.166977 0.333410 Co\n0.268909 0.496051 0.845541 I\n0.935409 0.162733 0.178880 I\n0.600760 0.830818 0.510921 I\n0.470467 0.165305 0.871664 I\n0.137233 0.831939 0.205053 I\n0.805414 0.495724 0.537458 I\n0.089258 0.167947 0.947179 I\n0.755397 0.834113 0.280539 I\n0.418575 0.498086 0.613793 I\n0.064591 0.837267 0.821120 I\n0.731091 0.503949 0.154459 I\n0.399240 0.169182 0.489079 I\n0.862767 0.168061 0.794947 I\n0.529533 0.834695 0.128336 I\n0.194586 0.504276 0.462542 I\n0.244603 0.165887 0.719461 I\n0.910742 0.832053 0.052821 I\n0.581425 0.501914 0.386207 I\n0.679370 0.833108 0.894136 I\n0.346329 0.500230 0.227661 I\n0.012876 0.167284 0.560656 I\n0.036871 0.491198 0.691031 I\n0.703098 0.157641 0.024566 I\n0.370181 0.824327 0.358209 I\n0.439313 0.830952 0.742263 I\n0.106172 0.497802 0.075595 I\n0.772636 0.165174 0.409283 I\n0.653671 0.499770 0.772339 I\n0.320630 0.166892 0.105864 I\n0.987124 0.832716 0.439344 I\n0.296902 0.842359 0.975434 I\n0.963129 0.508802 0.308969 I\n0.629819 0.175673 0.641791 I\n0.893828 0.502198 0.924405 I\n0.560687 0.169048 0.257737 I\n0.227364 0.834826 0.590717 I\n",
"nsites": 60,
"nelements": 4,
"elements": [
"Ca",
"Pr",
"Co",
"I"
],
"chemical_system": "Ca-Co-I-Pr",
"density": 4.913625419164144,
"density_atomic": 0.023663721038907747,
"volume": 2535.526847250623,
"volume_molar": 25.44883262483712,
"formula_full": "Ca2 Pr19 Co3 I36",
"formula_reduced": "Ca2Pr19(CoI12)3",
"formula_anonymous": "A2B3C19D36",
"energy": -261.50819988,
"energy_per_atom": -4.358469998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -247.86419988,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.1890935,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.706000Z",
"spacegroup": 2
},
{
"id": "mp-1078507",
"created_at": "2022-09-04T14:46:08.595040Z",
"structure_string": "Nd2 Ni2 Sb4\n1.0\n4.426187 0.000000 0.000000\n0.000000 4.426187 0.000000\n0.000000 0.000000 9.712751\nNd Ni Sb\n2 2 4\ndirect\n0.000000 0.500000 0.741840 Nd\n0.500000 0.000000 0.258160 Nd\n0.500000 0.500000 0.500000 Ni\n0.000000 0.000000 0.500000 Ni\n0.500000 0.500000 0.000000 Sb\n0.000000 0.000000 0.000000 Sb\n0.000000 0.500000 0.367893 Sb\n0.500000 0.000000 0.632107 Sb\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Nd",
"Ni",
"Sb"
],
"chemical_system": "Nd-Ni-Sb",
"density": 7.792115864791489,
"density_atomic": 0.042042469256476526,
"volume": 190.2837806979575,
"volume_molar": 14.32394639635089,
"formula_full": "Nd2 Ni2 Sb4",
"formula_reduced": "NdNiSb2",
"formula_anonymous": "ABC2",
"energy": -44.1525646,
"energy_per_atom": -5.519070575,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -43.3845646,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002105,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:23.199000Z",
"spacegroup": 129
}
]
}