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=energy_per_atom&page=10178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_per_atom&page=10176",
"results": [
{
"id": "mp-1366914",
"created_at": "2022-09-04T14:40:52.156021Z",
"structure_string": "Sr2 Mn2 Zn2 P4 O16\n1.0\n5.532502 0.000000 0.000000\n-0.973537 6.979479 0.000000\n-1.965969 -3.673685 8.589514\nSr Mn Zn P O\n2 2 2 4 16\ndirect\n0.198265 0.752105 0.047071 Sr\n0.801735 0.247895 0.952929 Sr\n0.068794 0.278580 0.558316 Mn\n0.931206 0.721420 0.441684 Mn\n0.351018 0.729808 0.645525 Zn\n0.648982 0.270192 0.354475 Zn\n0.161538 0.193378 0.226193 P\n0.838462 0.806622 0.773807 P\n0.539338 0.720491 0.299025 P\n0.460662 0.279509 0.700975 P\n0.903574 0.652001 0.902449 O\n0.450174 0.261244 0.213661 O\n0.893590 0.026248 0.775550 O\n0.261059 0.420024 0.697834 O\n0.549826 0.738756 0.786339 O\n0.429068 0.174411 0.580606 O\n0.570932 0.825589 0.419394 O\n0.394405 0.128547 0.866358 O\n0.106410 0.973752 0.224450 O\n0.605595 0.871453 0.133642 O\n0.096426 0.347999 0.097551 O\n0.971605 0.190912 0.385513 O\n0.028395 0.809088 0.614487 O\n0.256116 0.586759 0.359598 O\n0.738941 0.579976 0.302166 O\n0.743884 0.413241 0.640402 O\n",
"nsites": 26,
"nelements": 5,
"elements": [
"Sr",
"Mn",
"Zn",
"P",
"O"
],
"chemical_system": "Mn-O-P-Sr-Zn",
"density": 3.9842861186595417,
"density_atomic": 0.07838991104504825,
"volume": 331.67533491725237,
"volume_molar": 7.682290590353219,
"formula_full": "Sr2 Mn2 Zn2 P4 O16",
"formula_reduced": "SrMnZn(PO4)2",
"formula_anonymous": "ABCD2E8",
"energy": -111.76894393000002,
"energy_per_atom": -4.298805535769231,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -97.44094393,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0113225,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:21.609000Z",
"spacegroup": 2
},
{
"id": "mp-1222572",
"created_at": "2022-09-04T14:42:50.829279Z",
"structure_string": "Li7 Cu2 N3\n1.0\n4.151303 -3.197911 0.000000\n4.151303 3.197911 0.000000\n1.687827 0.000000 4.960966\nLi Cu N\n7 2 3\ndirect\n0.500000 0.833866 0.166134 Li\n0.166134 0.500000 0.833866 Li\n0.833866 0.166134 0.500000 Li\n0.500000 0.166134 0.833866 Li\n0.166134 0.833866 0.500000 Li\n0.833866 0.500000 0.166134 Li\n0.000000 0.000000 0.000000 Li\n0.665923 0.665923 0.665923 Cu\n0.334077 0.334077 0.334077 Cu\n0.167967 0.167967 0.167967 N\n0.832033 0.832033 0.832033 N\n0.500000 0.500000 0.500000 N\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Li",
"Cu",
"N"
],
"chemical_system": "Cu-Li-N",
"density": 2.7444712055901848,
"density_atomic": 0.09110331784123632,
"volume": 131.71858373931153,
"volume_molar": 6.610232099883176,
"formula_full": "Li7 Cu2 N3",
"formula_reduced": "Li7Cu2N3",
"formula_anonymous": "A2B3C7",
"energy": -51.58546,
"energy_per_atom": -4.298788333333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -50.50246,
"band_gap": 0.3208999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000548,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:49.598000Z",
"spacegroup": 166
},
{
"id": "mp-32606",
"created_at": "2022-09-04T14:46:19.911068Z",
"structure_string": "Ba24 P16\n1.0\n-4.952183 4.952183 14.838034\n4.952183 -4.952183 14.838034\n4.952183 4.952183 -14.838034\nBa P\n24 16\ndirect\n0.493830 0.245807 0.867929 Ba\n0.699046 0.823867 0.743276 Ba\n0.377878 0.625901 0.132071 Ba\n0.256170 0.624099 0.251976 Ba\n0.372122 0.004193 0.748024 Ba\n0.080591 0.955770 0.256724 Ba\n0.669409 0.426133 0.375179 Ba\n0.852608 0.603166 0.917376 Ba\n0.050954 0.294230 0.624821 Ba\n0.064767 0.147392 0.750557 Ba\n0.685790 0.935233 0.082624 Ba\n0.573867 0.949046 0.243276 Ba\n0.705770 0.330591 0.756724 Ba\n0.396834 0.314210 0.249443 Ba\n0.995807 0.743830 0.367929 Ba\n0.176133 0.919409 0.875179 Ba\n0.375901 0.627878 0.632071 Ba\n0.374099 0.506170 0.751976 Ba\n0.044230 0.300954 0.124821 Ba\n0.897392 0.314767 0.250557 Ba\n0.064210 0.646834 0.749443 Ba\n0.754193 0.622122 0.248024 Ba\n0.353166 0.102608 0.417376 Ba\n0.685233 0.935790 0.582624 Ba\n0.415346 0.915346 0.500000 P\n0.996085 0.625000 0.871085 P\n0.334654 0.334654 0.000000 P\n0.027036 0.926438 0.377082 P\n0.753915 0.125000 0.128915 P\n0.549357 0.649954 0.622918 P\n0.350046 0.972964 0.899403 P\n0.375000 0.246085 0.371085 P\n0.665346 0.665346 0.000000 P\n0.073562 0.450643 0.100597 P\n0.875000 0.003915 0.628915 P\n0.084654 0.584654 0.500000 P\n0.676438 0.277036 0.877082 P\n0.722964 0.600046 0.399403 P\n0.399954 0.799357 0.122918 P\n0.200643 0.323562 0.600597 P\n",
"nsites": 40,
"nelements": 2,
"elements": [
"Ba",
"P"
],
"chemical_system": "Ba-P",
"density": 4.325359499038147,
"density_atomic": 0.027480856743930034,
"volume": 1455.5586957395421,
"volume_molar": 21.91394837546384,
"formula_full": "Ba24 P16",
"formula_reduced": "Ba3P2",
"formula_anonymous": "A2B3",
"energy": -171.9485582,
"energy_per_atom": -4.298713955,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -171.9485582,
"band_gap": 0.2507999999999999,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0003062,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:24.454000Z",
"spacegroup": 122
},
{
"id": "mp-3608",
"created_at": "2022-09-04T14:46:18.789504Z",
"structure_string": "Lu3 Ag3 Sn3\n1.0\n3.662146 -6.343023 0.000000\n3.662146 6.343023 0.000000\n0.000000 0.000000 4.462299\nLu Ag Sn\n3 3 3\ndirect\n0.000000 0.432140 0.000000 Lu\n0.567860 0.567860 0.000000 Lu\n0.432140 0.000000 0.000000 Lu\n0.246665 0.246665 0.500000 Ag\n0.753335 0.000000 0.500000 Ag\n0.000000 0.753335 0.500000 Ag\n0.333333 0.666667 0.500000 Sn\n0.000000 0.000000 0.000000 Sn\n0.666667 0.333333 0.500000 Sn\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Lu",
"Ag",
"Sn"
],
"chemical_system": "Ag-Lu-Sn",
"density": 9.649041793532358,
"density_atomic": 0.04341321069198852,
"volume": 207.31016795449457,
"volume_molar": 13.871677915568975,
"formula_full": "Lu3 Ag3 Sn3",
"formula_reduced": "LuAgSn",
"formula_anonymous": "ABC",
"energy": -38.68780299,
"energy_per_atom": -4.2986447766666664,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.68780299,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002368,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:24.155000Z",
"spacegroup": 189
},
{
"id": "mp-775804",
"created_at": "2022-09-04T14:44:42.505385Z",
"structure_string": "Li12 Sb4 S12\n1.0\n11.924756 0.000000 0.000000\n0.000000 4.154212 0.000000\n0.000000 3.703281 12.179939\nLi Sb S\n12 4 12\ndirect\n0.450505 0.890278 0.613325 Li\n0.973336 0.814439 0.625385 Li\n0.223305 0.425519 0.017258 Li\n0.049495 0.890278 0.113325 Li\n0.526664 0.814439 0.125385 Li\n0.723305 0.574481 0.482742 Li\n0.276695 0.425519 0.517258 Li\n0.473336 0.185561 0.874615 Li\n0.950505 0.109722 0.886675 Li\n0.776695 0.574481 0.982742 Li\n0.026664 0.185561 0.374615 Li\n0.549495 0.109722 0.386675 Li\n0.693430 0.522120 0.748818 Sb\n0.806570 0.522120 0.248818 Sb\n0.193430 0.477880 0.751182 Sb\n0.306570 0.477880 0.251182 Sb\n0.654798 0.982423 0.575502 S\n0.587087 0.662238 0.897535 S\n0.845202 0.982423 0.075502 S\n0.881583 0.682018 0.803205 S\n0.912913 0.662238 0.397535 S\n0.618417 0.682018 0.303205 S\n0.381583 0.317982 0.696795 S\n0.087087 0.337762 0.602465 S\n0.118417 0.317982 0.196795 S\n0.154798 0.017577 0.924498 S\n0.412913 0.337762 0.102465 S\n0.345202 0.017577 0.424498 S\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Li",
"Sb",
"S"
],
"chemical_system": "Li-S-Sb",
"density": 2.6285735193188042,
"density_atomic": 0.046406066789116934,
"volume": 603.3693854564401,
"volume_molar": 12.977054891047782,
"formula_full": "Li12 Sb4 S12",
"formula_reduced": "Li3SbS3",
"formula_anonymous": "AB3C3",
"energy": -120.35929201,
"energy_per_atom": -4.298546143214286,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -114.32329201,
"band_gap": 1.9915,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:40.147000Z",
"spacegroup": 14
},
{
"id": "mp-1113585",
"created_at": "2022-09-04T14:44:03.594559Z",
"structure_string": "Cs2 La1 Ag1 Cl6\n1.0\n0.000000 5.552262 5.552262\n5.552262 0.000000 5.552262\n5.552262 5.552262 0.000000\nCs La Ag Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 Cs\n0.250000 0.250000 0.250000 Cs\n0.000000 0.000000 0.000000 La\n0.500000 0.500000 0.500000 Ag\n0.749991 0.250009 0.250009 Cl\n0.250009 0.250009 0.749991 Cl\n0.250009 0.749991 0.749991 Cl\n0.250009 0.749991 0.250009 Cl\n0.749991 0.250009 0.749991 Cl\n0.749991 0.749991 0.250009 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"Cs",
"La",
"Ag",
"Cl"
],
"chemical_system": "Ag-Cl-Cs-La",
"density": 3.518264337596617,
"density_atomic": 0.0292119231953247,
"volume": 342.32597193739286,
"volume_molar": 20.615351888107895,
"formula_full": "Cs2 La1 Ag1 Cl6",
"formula_reduced": "Cs2LaAgCl6",
"formula_anonymous": "ABC2D6",
"energy": -42.98450264,
"energy_per_atom": -4.298450264,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -39.30050264,
"band_gap": 3.6099,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0066161,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:21.452000Z",
"spacegroup": 225
},
{
"id": "mp-558762",
"created_at": "2022-09-04T14:41:00.347498Z",
"structure_string": "K1 Sn1 S2\n1.0\n7.561433 -2.014037 0.000000\n7.561433 2.014037 0.000000\n7.024981 0.000000 3.446920\nK Sn S\n1 1 2\ndirect\n0.500000 0.500000 0.500000 K\n0.000000 0.000000 0.000000 Sn\n0.266046 0.266046 0.266046 S\n0.733954 0.733954 0.733954 S\n",
"nsites": 4,
"nelements": 3,
"elements": [
"K",
"Sn",
"S"
],
"chemical_system": "K-S-Sn",
"density": 3.510335288214366,
"density_atomic": 0.03810019852855955,
"volume": 104.98632958570117,
"volume_molar": 15.806061366021122,
"formula_full": "K1 Sn1 S2",
"formula_reduced": "KSnS2",
"formula_anonymous": "ABC2",
"energy": -17.19343178,
"energy_per_atom": -4.298357945,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -16.18743178,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.2840287,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:23.714000Z",
"spacegroup": 166
},
{
"id": "mp-1180067",
"created_at": "2022-09-04T14:45:22.899137Z",
"structure_string": "Nd2 Br6 O36\n1.0\n5.366063 -9.308828 0.000000\n5.366063 9.308828 0.000000\n0.000000 0.000000 7.664435\nNd Br O\n2 6 36\ndirect\n0.331661 0.668339 0.279871 Nd\n0.668339 0.331661 0.779871 Nd\n0.147530 0.852470 0.280787 Br\n0.150318 0.297806 0.299228 Br\n0.702194 0.849682 0.299228 Br\n0.852470 0.147530 0.780787 Br\n0.849682 0.702194 0.799228 Br\n0.297806 0.150318 0.799228 Br\n0.408310 0.591690 0.858431 O\n0.408740 0.805803 0.835916 O\n0.194197 0.591260 0.835916 O\n0.591690 0.408310 0.358431 O\n0.591260 0.194197 0.335916 O\n0.805803 0.408740 0.335916 O\n0.420628 0.579372 0.502581 O\n0.413415 0.845903 0.503692 O\n0.154097 0.586585 0.503692 O\n0.579372 0.420628 0.002581 O\n0.586585 0.154097 0.003692 O\n0.845903 0.413415 0.003692 O\n0.263858 0.736142 0.906518 O\n0.263427 0.524334 0.929485 O\n0.475666 0.736573 0.929485 O\n0.736142 0.263858 0.406518 O\n0.736573 0.475666 0.429485 O\n0.524334 0.263427 0.429485 O\n0.582238 0.910806 0.284731 O\n0.086746 0.670964 0.268837 O\n0.331065 0.417534 0.277858 O\n0.582466 0.668935 0.277858 O\n0.089194 0.417762 0.284731 O\n0.329036 0.913254 0.268837 O\n0.417762 0.089194 0.784731 O\n0.913254 0.329036 0.768837 O\n0.668935 0.582466 0.777858 O\n0.417534 0.331065 0.777858 O\n0.910806 0.582238 0.784731 O\n0.670964 0.086746 0.768837 O\n0.110480 0.889520 0.476056 O\n0.118299 0.229461 0.498132 O\n0.770539 0.881701 0.498132 O\n0.889520 0.110480 0.976056 O\n0.881701 0.770539 0.998132 O\n0.229461 0.118299 0.998132 O\n",
"nsites": 44,
"nelements": 3,
"elements": [
"Nd",
"Br",
"O"
],
"chemical_system": "Br-Nd-O",
"density": 2.914410629775509,
"density_atomic": 0.0574634586855406,
"volume": 765.7039970528544,
"volume_molar": 10.47994829715208,
"formula_full": "Nd2 Br6 O36",
"formula_reduced": "Nd(BrO6)3",
"formula_anonymous": "AB3C18",
"energy": -189.12714341000003,
"energy_per_atom": -4.298344168409091,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -189.12714341000003,
"band_gap": 0.6696,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 12.0002778,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:59.163000Z",
"spacegroup": 36
},
{
"id": "mp-559612",
"created_at": "2022-09-04T14:40:28.142613Z",
"structure_string": "K4 Li4 O4\n1.0\n3.232954 -4.405321 0.000000\n3.232954 4.405321 0.000000\n0.000000 0.000000 6.499871\nK Li O\n4 4 4\ndirect\n0.824350 0.175650 0.000000 K\n0.175650 0.824350 0.000000 K\n0.324350 0.675650 0.500000 K\n0.675650 0.324350 0.500000 K\n0.125216 0.125216 0.373956 Li\n0.625216 0.625216 0.126044 Li\n0.374784 0.374784 0.873956 Li\n0.874784 0.874784 0.626044 Li\n0.330381 0.330381 0.167068 O\n0.169619 0.169619 0.667068 O\n0.669619 0.669619 0.832932 O\n0.830381 0.830381 0.332932 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"Li",
"O"
],
"chemical_system": "K-Li-O",
"density": 2.2256658373704385,
"density_atomic": 0.0648140900534663,
"volume": 185.14492743940374,
"volume_molar": 9.291406783667298,
"formula_full": "K4 Li4 O4",
"formula_reduced": "KLiO",
"formula_anonymous": "ABC",
"energy": -51.57831594,
"energy_per_atom": -4.298192995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -48.83031594,
"band_gap": 2.3758,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 5.02e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:59.411000Z",
"spacegroup": 64
},
{
"id": "mp-1200177",
"created_at": "2022-09-04T14:44:17.884679Z",
"structure_string": "Cu16 Sn8 Se24\n1.0\n6.121956 3.533997 0.000000\n-6.121956 3.533997 0.000000\n0.000000 2.289752 26.731366\nCu Sn Se\n16 8 24\ndirect\n0.682614 0.854926 0.985464 Cu\n0.854926 0.682614 0.485464 Cu\n0.025189 0.517087 0.985345 Cu\n0.517087 0.025189 0.485345 Cu\n0.373615 0.883434 0.860469 Cu\n0.883434 0.373615 0.360469 Cu\n0.062440 0.225398 0.859952 Cu\n0.225398 0.062440 0.359952 Cu\n0.100145 0.918641 0.735459 Cu\n0.918641 0.100145 0.235459 Cu\n0.419657 0.583551 0.735324 Cu\n0.583551 0.419657 0.235324 Cu\n0.126608 0.635126 0.609769 Cu\n0.635126 0.126608 0.109769 Cu\n0.472485 0.292676 0.610373 Cu\n0.292676 0.472485 0.110373 Cu\n0.330434 0.166356 0.980769 Sn\n0.166356 0.330434 0.480769 Sn\n0.717017 0.569593 0.856325 Sn\n0.569593 0.717017 0.356325 Sn\n0.758572 0.273904 0.730758 Sn\n0.273904 0.758572 0.230758 Sn\n0.785274 0.951818 0.606268 Sn\n0.951818 0.785274 0.106268 Sn\n0.164425 0.329112 0.581352 Se\n0.329112 0.164425 0.081352 Se\n0.710629 0.543708 0.956841 Se\n0.543708 0.710629 0.456841 Se\n0.769433 0.912620 0.706845 Se\n0.912620 0.769433 0.206845 Se\n0.128565 0.624032 0.700090 Se\n0.624032 0.128565 0.200090 Se\n0.409297 0.266805 0.700860 Se\n0.266805 0.409297 0.200860 Se\n0.726766 0.208480 0.831325 Se\n0.208480 0.726766 0.331325 Se\n0.083281 0.922882 0.825715 Se\n0.922882 0.083281 0.325715 Se\n0.360686 0.835839 0.950756 Se\n0.835839 0.360686 0.450756 Se\n0.450487 0.972704 0.575502 Se\n0.972704 0.450487 0.075502 Se\n0.371623 0.569531 0.825652 Se\n0.569531 0.371623 0.325652 Se\n0.998746 0.193410 0.950427 Se\n0.193410 0.998746 0.450427 Se\n0.806917 0.617864 0.575731 Se\n0.617864 0.806917 0.075731 Se\n",
"nsites": 48,
"nelements": 3,
"elements": [
"Cu",
"Sn",
"Se"
],
"chemical_system": "Cu-Se-Sn",
"density": 5.543609875520027,
"density_atomic": 0.0414986251823494,
"volume": 1156.6648241738822,
"volume_molar": 14.511663298574518,
"formula_full": "Cu16 Sn8 Se24",
"formula_reduced": "Cu2SnSe3",
"formula_anonymous": "AB2C3",
"energy": -206.30988538000005,
"energy_per_atom": -4.2981226120833345,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -194.98188538,
"band_gap": 0.0857999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0810278,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:34.899000Z",
"spacegroup": 9
},
{
"id": "mp-1209922",
"created_at": "2022-09-04T14:39:32.570010Z",
"structure_string": "Nb2 N2 Cl12\n1.0\n3.247046 6.202993 0.000000\n-3.247046 6.202993 0.000000\n0.000000 2.683347 12.228564\nNb N Cl\n2 2 12\ndirect\n0.500000 0.000000 0.500000 Nb\n0.000000 0.500000 0.000000 Nb\n0.880815 0.119185 0.750000 N\n0.119185 0.880815 0.250000 N\n0.464919 0.699565 0.603002 Cl\n0.535081 0.300435 0.396998 Cl\n0.300435 0.535081 0.896998 Cl\n0.699565 0.464919 0.103002 Cl\n0.370174 0.200347 0.659016 Cl\n0.629826 0.799653 0.340984 Cl\n0.799653 0.629826 0.840984 Cl\n0.200347 0.370174 0.159016 Cl\n0.794424 0.894899 0.041020 Cl\n0.205576 0.105101 0.958980 Cl\n0.105101 0.205576 0.458980 Cl\n0.894899 0.794424 0.541020 Cl\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Nb",
"N",
"Cl"
],
"chemical_system": "Cl-N-Nb",
"density": 2.1549287066052107,
"density_atomic": 0.03248065614501817,
"volume": 492.6008861570998,
"volume_molar": 18.54069921836744,
"formula_full": "Nb2 N2 Cl12",
"formula_reduced": "NbNCl6",
"formula_anonymous": "ABC6",
"energy": -68.76913859,
"energy_per_atom": -4.298071161875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -61.40113859,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 7.9999756,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.251000Z",
"spacegroup": 15
},
{
"id": "mp-22718",
"created_at": "2022-09-04T14:39:39.895391Z",
"structure_string": "Tb3 In3 Au3\n1.0\n3.886662 -6.731896 0.000000\n3.886662 6.731896 0.000000\n0.000000 0.000000 4.036227\nTb In Au\n3 3 3\ndirect\n0.596223 0.000000 0.500000 Tb\n0.403777 0.403777 0.500000 Tb\n0.000000 0.596223 0.500000 Tb\n0.739618 0.739618 0.000000 In\n0.000000 0.260382 0.000000 In\n0.260382 0.000000 0.000000 In\n0.333333 0.666667 0.000000 Au\n0.666667 0.333333 0.000000 Au\n0.000000 0.000000 0.500000 Au\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Tb",
"In",
"Au"
],
"chemical_system": "Au-In-Tb",
"density": 11.102069738263113,
"density_atomic": 0.04261110124233111,
"volume": 211.21256521432346,
"volume_molar": 14.132797755570396,
"formula_full": "Tb3 In3 Au3",
"formula_reduced": "TbInAu",
"formula_anonymous": "ABC",
"energy": -38.68234731,
"energy_per_atom": -4.29803859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -38.68234731,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0079884,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:37.779000Z",
"spacegroup": 189
}
]
}