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=-chemical_system&page=10174",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-chemical_system&page=10172",
"results": [
{
"id": "mp-1069809",
"created_at": "2022-09-04T14:40:28.361661Z",
"structure_string": "Ba1 Si3 Pt1\n1.0\n-2.215995 2.215995 5.094410\n2.215995 -2.215995 5.094410\n2.215995 2.215995 -5.094410\nBa Si Pt\n1 3 1\ndirect\n0.600097 0.600097 0.000000 Ba\n0.996560 0.996560 0.000000 Si\n0.356126 0.856126 0.500000 Si\n0.856126 0.356126 0.500000 Si\n0.249891 0.249891 0.000000 Pt\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pt"
],
"chemical_system": "Ba-Pt-Si",
"density": 6.914285155000714,
"density_atomic": 0.049966458234182165,
"volume": 100.06712856384704,
"volume_molar": 12.052366673210072,
"formula_full": "Ba1 Si3 Pt1",
"formula_reduced": "BaSi3Pt",
"formula_anonymous": "ABC3",
"energy": -27.02894087,
"energy_per_atom": -5.405788174,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.24194087,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0016463,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:46.909000Z",
"spacegroup": 107
},
{
"id": "mp-1214345",
"created_at": "2022-09-04T14:40:30.693314Z",
"structure_string": "Ba2 Si24 Pt10\n1.0\n16.388115 3.095149 0.000000\n-16.388115 3.095149 0.000000\n0.000000 0.009635 6.165739\nBa Si Pt\n2 24 10\ndirect\n0.875511 0.124489 0.000000 Ba\n0.124489 0.875511 0.000000 Ba\n0.708783 0.788723 0.250753 Si\n0.291217 0.211277 0.749247 Si\n0.211277 0.291217 0.749247 Si\n0.788723 0.708783 0.250753 Si\n0.642946 0.918890 0.500622 Si\n0.357054 0.081110 0.499378 Si\n0.081110 0.357054 0.499378 Si\n0.918890 0.642946 0.500622 Si\n0.636372 0.359419 0.218722 Si\n0.363628 0.640581 0.781278 Si\n0.640581 0.363628 0.781278 Si\n0.359419 0.636372 0.218722 Si\n0.357744 0.916517 0.134258 Si\n0.642256 0.083483 0.865742 Si\n0.083483 0.642256 0.865742 Si\n0.916517 0.357744 0.134258 Si\n0.421048 0.855487 0.369102 Si\n0.578952 0.144513 0.630898 Si\n0.144513 0.578952 0.630898 Si\n0.855487 0.421048 0.369102 Si\n0.291629 0.211604 0.251082 Si\n0.708371 0.788396 0.748918 Si\n0.788396 0.708371 0.748918 Si\n0.211604 0.291629 0.251082 Si\n0.575667 0.424333 0.000000 Pt\n0.424333 0.575667 0.000000 Pt\n0.000000 0.000000 0.000000 Pt\n0.924668 0.075332 0.500000 Pt\n0.075332 0.924668 0.500000 Pt\n0.703683 0.296317 0.000000 Pt\n0.296317 0.703683 0.000000 Pt\n0.797698 0.202302 0.500000 Pt\n0.202302 0.797698 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pt"
],
"chemical_system": "Ba-Pt-Si",
"density": 7.697565701416928,
"density_atomic": 0.05755417125490735,
"volume": 625.4976696746452,
"volume_molar": 10.463430588424158,
"formula_full": "Ba2 Si24 Pt10",
"formula_reduced": "BaSi12Pt5",
"formula_anonymous": "AB5C12",
"energy": -212.51725839,
"energy_per_atom": -5.9032571775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -212.51725839,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0100092,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:02.916000Z",
"spacegroup": 12
},
{
"id": "mp-1101912",
"created_at": "2022-09-04T14:48:21.349123Z",
"structure_string": "Ba4 Si4 Pt4\n1.0\n6.716685 0.000000 0.000000\n0.000000 6.716685 0.000000\n0.000000 0.000000 6.716685\nBa Si Pt\n4 4 4\ndirect\n0.881907 0.881907 0.881907 Ba\n0.618093 0.118093 0.381907 Ba\n0.118093 0.381907 0.618093 Ba\n0.381907 0.618093 0.118093 Ba\n0.594802 0.594802 0.594802 Si\n0.905198 0.405198 0.094802 Si\n0.405198 0.094802 0.905198 Si\n0.094802 0.905198 0.405198 Si\n0.156056 0.156056 0.156056 Pt\n0.343944 0.843944 0.656056 Pt\n0.843944 0.656056 0.343944 Pt\n0.656056 0.343944 0.843944 Pt\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Ba",
"Si",
"Pt"
],
"chemical_system": "Ba-Pt-Si",
"density": 7.902148700368788,
"density_atomic": 0.0396019255081677,
"volume": 303.01556921834674,
"volume_molar": 15.206686752536726,
"formula_full": "Ba4 Si4 Pt4",
"formula_reduced": "BaSiPt",
"formula_anonymous": "ABC",
"energy": -64.76366748999999,
"energy_per_atom": -5.396972290833332,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -65.04766749,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.000321,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:49.610000Z",
"spacegroup": 198
},
{
"id": "mp-8606",
"created_at": "2022-09-04T14:47:44.728405Z",
"structure_string": "Ba1 Sb1 Pt1\n1.0\n2.305029 -3.992428 0.000000\n2.305029 3.992428 0.000000\n0.000000 0.000000 4.968951\nBa Sb Pt\n1 1 1\ndirect\n0.000000 0.000000 0.000000 Ba\n0.666667 0.333333 0.500000 Sb\n0.333333 0.666667 0.500000 Pt\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Ba",
"Sb",
"Pt"
],
"chemical_system": "Ba-Pt-Sb",
"density": 8.246322231555787,
"density_atomic": 0.032802961823569454,
"volume": 91.45515627934707,
"volume_molar": 18.35852747806753,
"formula_full": "Ba1 Sb1 Pt1",
"formula_reduced": "BaSbPt",
"formula_anonymous": "ABC",
"energy": -14.9402158,
"energy_per_atom": -4.980071933333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.9402158,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0043121,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:20.354000Z",
"spacegroup": 187
},
{
"id": "mp-558588",
"created_at": "2022-09-04T14:44:06.522924Z",
"structure_string": "Ba12 Pt24 S36\n1.0\n11.209130 0.000000 0.000000\n0.000000 11.209130 0.000000\n0.000000 0.000000 13.339116\nBa Pt S\n12 24 36\ndirect\n0.898630 0.677470 0.249859 Ba\n0.822530 0.398630 0.499859 Ba\n0.677470 0.898630 0.750141 Ba\n0.601370 0.177470 0.000141 Ba\n0.177470 0.601370 0.999859 Ba\n0.101370 0.322530 0.749859 Ba\n0.394129 0.394129 0.500000 Ba\n0.322530 0.101370 0.250141 Ba\n0.398630 0.822530 0.500141 Ba\n0.105871 0.894129 0.750000 Ba\n0.894129 0.105871 0.250000 Ba\n0.605871 0.605871 0.000000 Ba\n0.634303 0.039686 0.366946 Pt\n0.357835 0.269687 0.867876 Pt\n0.111265 0.111265 0.000000 Pt\n0.039686 0.634303 0.633054 Pt\n0.386554 0.613446 0.750000 Pt\n0.888735 0.888735 0.500000 Pt\n0.769687 0.142165 0.617876 Pt\n0.134303 0.460314 0.383054 Pt\n0.886554 0.886554 0.000000 Pt\n0.730313 0.642165 0.632124 Pt\n0.857835 0.230313 0.882124 Pt\n0.230313 0.857835 0.117876 Pt\n0.611265 0.388735 0.750000 Pt\n0.460314 0.134303 0.616946 Pt\n0.539686 0.865697 0.116946 Pt\n0.113446 0.113446 0.500000 Pt\n0.142165 0.769687 0.382124 Pt\n0.642165 0.730313 0.367876 Pt\n0.865697 0.539686 0.883054 Pt\n0.388735 0.611265 0.250000 Pt\n0.960314 0.365697 0.133054 Pt\n0.613446 0.386554 0.250000 Pt\n0.365697 0.960314 0.866946 Pt\n0.269687 0.357835 0.132124 Pt\n0.114285 0.322599 0.251272 S\n0.177401 0.614285 0.501272 S\n0.598506 0.598506 0.500000 S\n0.319847 0.112500 0.980354 S\n0.597632 0.594550 0.238768 S\n0.680153 0.887500 0.480354 S\n0.098506 0.901494 0.250000 S\n0.094550 0.902368 0.988768 S\n0.324097 0.104900 0.482607 S\n0.822599 0.385715 0.001272 S\n0.097632 0.905450 0.511232 S\n0.175903 0.604900 0.767393 S\n0.395100 0.824097 0.732607 S\n0.902368 0.094550 0.011232 S\n0.824097 0.395100 0.267393 S\n0.322599 0.114285 0.748728 S\n0.895100 0.675903 0.017393 S\n0.112500 0.319847 0.019646 S\n0.612500 0.180153 0.730354 S\n0.614285 0.177401 0.498728 S\n0.401494 0.401494 0.000000 S\n0.675903 0.895100 0.982607 S\n0.905450 0.097632 0.488768 S\n0.402368 0.405450 0.738768 S\n0.180153 0.612500 0.269646 S\n0.604900 0.175903 0.232607 S\n0.819847 0.387500 0.769646 S\n0.901494 0.098506 0.750000 S\n0.885715 0.677401 0.751272 S\n0.387500 0.819847 0.230354 S\n0.887500 0.680153 0.519646 S\n0.594550 0.597632 0.761232 S\n0.677401 0.885715 0.248728 S\n0.104900 0.324097 0.517393 S\n0.385715 0.822599 0.998728 S\n0.405450 0.402368 0.261232 S\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"S"
],
"chemical_system": "Ba-Pt-S",
"density": 7.415292095988583,
"density_atomic": 0.04295973909537509,
"volume": 1675.9878322387506,
"volume_molar": 14.018103663595864,
"formula_full": "Ba12 Pt24 S36",
"formula_reduced": "BaPt2S3",
"formula_anonymous": "AB2C3",
"energy": -406.2385341,
"energy_per_atom": -5.642201862499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -388.1305341,
"band_gap": 1.3299999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0059065,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:27.783000Z",
"spacegroup": 92
},
{
"id": "mp-29289",
"created_at": "2022-09-04T14:45:38.096356Z",
"structure_string": "Ba4 Pt8 S12\n1.0\n6.889429 0.000000 0.000000\n0.000000 6.889429 0.000000\n0.000000 0.000000 12.424743\nBa Pt S\n4 8 12\ndirect\n0.678467 0.678467 0.000000 Ba\n0.178467 0.821533 0.750000 Ba\n0.821533 0.178467 0.250000 Ba\n0.321533 0.321533 0.500000 Ba\n0.750363 0.007065 0.625107 Pt\n0.992935 0.249637 0.874893 Pt\n0.007065 0.750363 0.374893 Pt\n0.250363 0.492935 0.124893 Pt\n0.749637 0.507065 0.624893 Pt\n0.492935 0.250363 0.875107 Pt\n0.507065 0.749637 0.375107 Pt\n0.249637 0.992935 0.125107 Pt\n0.256556 0.836284 0.495142 S\n0.743444 0.163716 0.995142 S\n0.836284 0.256556 0.504858 S\n0.336284 0.243444 0.245142 S\n0.663716 0.756556 0.745142 S\n0.243444 0.336284 0.754858 S\n0.756556 0.663716 0.254858 S\n0.243227 0.243227 0.000000 S\n0.756773 0.756773 0.500000 S\n0.743227 0.256773 0.750000 S\n0.256773 0.743227 0.250000 S\n0.163716 0.743444 0.004858 S\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Ba",
"Pt",
"S"
],
"chemical_system": "Ba-Pt-S",
"density": 7.024638791762322,
"density_atomic": 0.040696528987254725,
"volume": 589.7308836219493,
"volume_molar": 14.79767663204399,
"formula_full": "Ba4 Pt8 S12",
"formula_reduced": "BaPt2S3",
"formula_anonymous": "AB2C3",
"energy": -135.34283215,
"energy_per_atom": -5.639284672916666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.30683215,
"band_gap": 0.9791999999999996,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 7.2e-06,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:05.684000Z",
"spacegroup": 92
},
{
"id": "mp-15502",
"created_at": "2022-09-04T14:48:18.588507Z",
"structure_string": "Ba32 Ti8 P32\n1.0\n13.277304 0.000000 0.000000\n0.000000 13.277304 0.000000\n0.000000 0.000000 13.277304\nBa Ti P\n32 8 32\ndirect\n0.149280 0.149280 0.149280 Ba\n0.350720 0.649280 0.350720 Ba\n0.649280 0.350720 0.350720 Ba\n0.350720 0.350720 0.649280 Ba\n0.149280 0.850720 0.850720 Ba\n0.850720 0.850720 0.149280 Ba\n0.850720 0.149280 0.850720 Ba\n0.649280 0.649280 0.649280 Ba\n0.908783 0.863516 0.649090 Ba\n0.908783 0.136484 0.350910 Ba\n0.863516 0.649090 0.908783 Ba\n0.136484 0.649090 0.091217 Ba\n0.649090 0.908783 0.863516 Ba\n0.350910 0.091217 0.863516 Ba\n0.591217 0.850910 0.363516 Ba\n0.591217 0.149090 0.636484 Ba\n0.408783 0.850910 0.636484 Ba\n0.149090 0.636484 0.591217 Ba\n0.636484 0.408783 0.850910 Ba\n0.636484 0.591217 0.149090 Ba\n0.850910 0.363516 0.591217 Ba\n0.363516 0.591217 0.850910 Ba\n0.850910 0.636484 0.408783 Ba\n0.149090 0.363516 0.408783 Ba\n0.363516 0.408783 0.149090 Ba\n0.350910 0.908783 0.136484 Ba\n0.649090 0.091217 0.136484 Ba\n0.863516 0.350910 0.091217 Ba\n0.136484 0.350910 0.908783 Ba\n0.091217 0.136484 0.649090 Ba\n0.091217 0.863516 0.350910 Ba\n0.408783 0.149090 0.363516 Ba\n0.500000 0.500000 0.500000 Ti\n0.000000 0.000000 0.000000 Ti\n0.750000 0.000000 0.500000 Ti\n0.500000 0.750000 0.000000 Ti\n0.500000 0.250000 0.000000 Ti\n0.000000 0.500000 0.250000 Ti\n0.000000 0.500000 0.750000 Ti\n0.250000 0.000000 0.500000 Ti\n0.895404 0.895404 0.895404 P\n0.604596 0.395404 0.604596 P\n0.395404 0.604596 0.604596 P\n0.604596 0.604596 0.395404 P\n0.895404 0.104596 0.104596 P\n0.104596 0.104596 0.895404 P\n0.104596 0.895404 0.104596 P\n0.395404 0.395404 0.395404 P\n0.649984 0.896343 0.610501 P\n0.649984 0.103657 0.389499 P\n0.896343 0.610501 0.649984 P\n0.103657 0.610501 0.350016 P\n0.610501 0.649984 0.896343 P\n0.389499 0.350016 0.896343 P\n0.850016 0.889499 0.396343 P\n0.850016 0.110501 0.603657 P\n0.149984 0.889499 0.603657 P\n0.110501 0.603657 0.850016 P\n0.603657 0.149984 0.889499 P\n0.603657 0.850016 0.110501 P\n0.889499 0.396343 0.850016 P\n0.396343 0.850016 0.889499 P\n0.889499 0.603657 0.149984 P\n0.110501 0.396343 0.149984 P\n0.396343 0.149984 0.110501 P\n0.389499 0.649984 0.103657 P\n0.610501 0.350016 0.103657 P\n0.896343 0.389499 0.350016 P\n0.103657 0.389499 0.649984 P\n0.350016 0.103657 0.610501 P\n0.350016 0.896343 0.389499 P\n0.149984 0.110501 0.396343 P\n",
"nsites": 72,
"nelements": 3,
"elements": [
"Ba",
"Ti",
"P"
],
"chemical_system": "Ba-P-Ti",
"density": 4.092482616456044,
"density_atomic": 0.030761166416388878,
"volume": 2340.6134548148984,
"volume_molar": 19.57708845784058,
"formula_full": "Ba32 Ti8 P32",
"formula_reduced": "Ba4TiP4",
"formula_anonymous": "AB4C4",
"energy": -374.8827693,
"energy_per_atom": -5.206705129166667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -374.8827693,
"band_gap": 1.0679000000000003,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0005602,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:01.071000Z",
"spacegroup": 218
},
{
"id": "mp-31275",
"created_at": "2022-09-04T14:48:26.333482Z",
"structure_string": "Ba4 Te8 P16\n1.0\n6.530217 0.000000 0.000000\n0.000000 7.246929 0.000000\n0.000000 0.000000 16.680433\nBa Te P\n4 8 16\ndirect\n0.250000 0.398571 0.662031 Ba\n0.750000 0.601429 0.337969 Ba\n0.750000 0.898571 0.837969 Ba\n0.250000 0.101429 0.162031 Ba\n0.750000 0.562491 0.563480 Te\n0.250000 0.437509 0.436520 Te\n0.250000 0.062491 0.936520 Te\n0.750000 0.937509 0.063480 Te\n0.250000 0.907063 0.746558 Te\n0.750000 0.092937 0.253442 Te\n0.750000 0.407063 0.753442 Te\n0.250000 0.592937 0.246558 Te\n0.250000 0.831942 0.595873 P\n0.750000 0.168058 0.404127 P\n0.750000 0.331942 0.904127 P\n0.250000 0.668058 0.095873 P\n0.507906 0.964665 0.434780 P\n0.007906 0.035335 0.565220 P\n0.492094 0.464665 0.065220 P\n0.992094 0.535335 0.934780 P\n0.492094 0.035335 0.565220 P\n0.992094 0.964665 0.434780 P\n0.507906 0.535335 0.934780 P\n0.007906 0.464665 0.065220 P\n0.250000 0.120493 0.378716 P\n0.750000 0.879507 0.621284 P\n0.750000 0.620493 0.121284 P\n0.250000 0.379507 0.878716 P\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ba",
"Te",
"P"
],
"chemical_system": "Ba-P-Te",
"density": 4.345351619845878,
"density_atomic": 0.03547064547641925,
"volume": 789.3851274461382,
"volume_molar": 16.977815540468512,
"formula_full": "Ba4 Te8 P16",
"formula_reduced": "Ba(TeP2)2",
"formula_anonymous": "AB2C4",
"energy": -133.84622642,
"energy_per_atom": -4.780222372142857,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -133.84622642,
"band_gap": 1.1052,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0005342,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:15.847000Z",
"spacegroup": 62
},
{
"id": "mp-31498",
"created_at": "2022-09-04T14:45:58.784584Z",
"structure_string": "Ba2 Pt2\n1.0\n2.587536 -4.481743 0.000000\n2.587536 4.481743 0.000000\n0.000000 0.000000 5.467569\nBa Pt\n2 2\ndirect\n0.666667 0.333333 0.750000 Ba\n0.333333 0.666667 0.250000 Ba\n0.000000 0.000000 0.500000 Pt\n0.000000 0.000000 0.000000 Pt\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 8.705562989047634,
"density_atomic": 0.03154295479584522,
"volume": 126.81120161028392,
"volume_molar": 19.09187265104671,
"formula_full": "Ba2 Pt2",
"formula_reduced": "BaPt",
"formula_anonymous": "AB",
"energy": -18.97606449,
"energy_per_atom": -4.7440161225,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -18.97606449,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 6.26e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:20.098000Z",
"spacegroup": 194
},
{
"id": "mp-1214403",
"created_at": "2022-09-04T14:41:53.010987Z",
"structure_string": "Ba8 Pt2\n1.0\n0.000000 6.785754 6.785754\n6.785754 0.000000 6.785754\n6.785754 6.785754 0.000000\nBa Pt\n8 2\ndirect\n0.376418 0.376418 0.376418 Ba\n0.376418 0.376418 0.870747 Ba\n0.376418 0.870747 0.376418 Ba\n0.873582 0.873582 0.379253 Ba\n0.873582 0.873582 0.873582 Ba\n0.870747 0.376418 0.376418 Ba\n0.873582 0.379253 0.873582 Ba\n0.379253 0.873582 0.873582 Ba\n0.000000 0.000000 0.000000 Pt\n0.250000 0.250000 0.250000 Pt\n",
"nsites": 10,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 3.9560016172458057,
"density_atomic": 0.016002051737575643,
"volume": 624.9198642770436,
"volume_molar": 37.63355386396452,
"formula_full": "Ba8 Pt2",
"formula_reduced": "Ba4Pt",
"formula_anonymous": "AB4",
"energy": -29.37437851,
"energy_per_atom": -2.937437851,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -29.37437851,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0020349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.273000Z",
"spacegroup": 227
},
{
"id": "mp-811",
"created_at": "2022-09-04T14:47:23.953437Z",
"structure_string": "Ba1 Pt5\n1.0\n2.817317 -4.879737 0.000000\n2.817317 4.879737 0.000000\n0.000000 0.000000 4.353104\nBa Pt\n1 5\ndirect\n0.000000 0.000000 0.000000 Ba\n0.333333 0.666667 0.000000 Pt\n0.666667 0.333333 0.000000 Pt\n0.500000 0.000000 0.500000 Pt\n0.500000 0.500000 0.500000 Pt\n0.000000 0.500000 0.500000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 15.43776264104287,
"density_atomic": 0.05012911992175619,
"volume": 119.69091038033527,
"volume_molar": 12.013258500048734,
"formula_full": "Ba1 Pt5",
"formula_reduced": "BaPt5",
"formula_anonymous": "AB5",
"energy": -35.11389427,
"energy_per_atom": -5.852315711666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.11389427,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 1.65e-05,
"is_theoretical": false,
"updated_at": "2021-11-28T01:38:03.722000Z",
"spacegroup": 191
},
{
"id": "mp-747",
"created_at": "2022-09-04T14:44:26.718438Z",
"structure_string": "Ba2 Pt4\n1.0\n0.000000 4.041182 4.041182\n4.041182 0.000000 4.041182\n4.041182 4.041182 0.000000\nBa Pt\n2 4\ndirect\n0.500000 0.500000 0.500000 Ba\n0.750000 0.750000 0.750000 Ba\n0.125000 0.125000 0.125000 Pt\n0.625000 0.125000 0.125000 Pt\n0.125000 0.625000 0.125000 Pt\n0.125000 0.125000 0.625000 Pt\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Ba",
"Pt"
],
"chemical_system": "Ba-Pt",
"density": 13.272178536079357,
"density_atomic": 0.04545650330168532,
"volume": 131.99431465678856,
"volume_molar": 13.248139039715197,
"formula_full": "Ba2 Pt4",
"formula_reduced": "BaPt2",
"formula_anonymous": "AB2",
"energy": -32.47947217,
"energy_per_atom": -5.413245361666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.47947217,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:35.358000Z",
"spacegroup": 227
}
]
}