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=-density_atomic&page=10130",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-density_atomic&page=10128",
"results": [
{
"id": "mp-4324",
"created_at": "2022-09-04T14:40:29.526324Z",
"structure_string": "Tm4 Cd2 S8\n1.0\n0.000000 5.592851 5.592851\n5.592851 0.000000 5.592851\n5.592851 5.592851 0.000000\nTm Cd S\n4 2 8\ndirect\n0.625000 0.125000 0.125000 Tm\n0.125000 0.125000 0.125000 Tm\n0.125000 0.625000 0.125000 Tm\n0.125000 0.125000 0.625000 Tm\n0.750000 0.750000 0.750000 Cd\n0.500000 0.500000 0.500000 Cd\n0.366728 0.366728 0.366728 S\n0.350183 0.883272 0.883272 S\n0.883272 0.883272 0.350183 S\n0.883272 0.350183 0.883272 S\n0.366728 0.366728 0.899817 S\n0.366728 0.899817 0.366728 S\n0.883272 0.883272 0.883272 S\n0.899817 0.366728 0.366728 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"S"
],
"chemical_system": "Cd-S-Tm",
"density": 5.491390210944559,
"density_atomic": 0.04001273998040745,
"volume": 349.8885606648085,
"volume_molar": 15.05055830455197,
"formula_full": "Tm4 Cd2 S8",
"formula_reduced": "Tm2CdS4",
"formula_anonymous": "AB2C4",
"energy": -80.29877476,
"energy_per_atom": -5.735626768571429,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -76.27477476,
"band_gap": 1.1785,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 1e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:51.998000Z",
"spacegroup": 227
},
{
"id": "mp-677413",
"created_at": "2022-09-04T14:45:12.344772Z",
"structure_string": "K4 S2 O6\n1.0\n5.995497 3.975237 0.000000\n-5.995497 3.975237 0.000000\n0.000000 0.012898 6.291697\nK S O\n4 2 6\ndirect\n0.929554 0.083555 0.470119 K\n0.635047 0.438768 0.976771 K\n0.083555 0.929554 0.970119 K\n0.438768 0.635047 0.476771 K\n0.447125 0.128638 0.471470 S\n0.128638 0.447125 0.971470 S\n0.950527 0.287028 0.863702 O\n0.788713 0.734998 0.690386 O\n0.358679 0.217359 0.643552 O\n0.217359 0.358679 0.143552 O\n0.287028 0.950527 0.363702 O\n0.734998 0.788713 0.190386 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"K",
"S",
"O"
],
"chemical_system": "K-O-S",
"density": 1.7525228720240846,
"density_atomic": 0.040012458340383555,
"volume": 299.9065915399831,
"volume_molar": 15.050664242546693,
"formula_full": "K4 S2 O6",
"formula_reduced": "K2SO3",
"formula_anonymous": "AB2C3",
"energy": -58.89656588,
"energy_per_atom": -4.908047156666666,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -54.77456588,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.133252,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:54.829000Z",
"spacegroup": 9
},
{
"id": "mp-684555",
"created_at": "2022-09-04T14:43:34.875984Z",
"structure_string": "U10 Se20\n1.0\n10.679688 0.000000 0.000000\n0.000000 10.679688 0.000000\n0.000000 0.000000 6.573770\nU Se\n10 20\ndirect\n0.840436 0.154568 0.249958 U\n0.654568 0.659564 0.249958 U\n0.345432 0.340436 0.249958 U\n0.159564 0.845432 0.249958 U\n0.500000 0.000000 0.858007 U\n0.340436 0.654568 0.750042 U\n0.154568 0.159564 0.750042 U\n0.845432 0.840436 0.750042 U\n0.659564 0.345432 0.750042 U\n0.000000 0.500000 0.141993 U\n0.709465 0.087431 0.618617 Se\n0.587431 0.790535 0.618617 Se\n0.412569 0.209465 0.618617 Se\n0.290535 0.912569 0.618617 Se\n0.707897 0.913665 0.114667 Se\n0.586335 0.207897 0.114667 Se\n0.413665 0.792103 0.114667 Se\n0.292103 0.086335 0.114667 Se\n0.500000 0.500000 0.000000 Se\n0.000000 0.000000 0.000000 Se\n0.207897 0.413665 0.885333 Se\n0.086335 0.707897 0.885333 Se\n0.913665 0.292103 0.885333 Se\n0.792103 0.586335 0.885333 Se\n0.500000 0.500000 0.500000 Se\n0.000000 0.000000 0.500000 Se\n0.209465 0.587431 0.381383 Se\n0.087431 0.290535 0.381383 Se\n0.912569 0.709465 0.381383 Se\n0.790535 0.412569 0.381383 Se\n",
"nsites": 30,
"nelements": 2,
"elements": [
"U",
"Se"
],
"chemical_system": "Se-U",
"density": 8.769132123341373,
"density_atomic": 0.04001194094059944,
"volume": 749.7761741810307,
"volume_molar": 15.050858864708147,
"formula_full": "U10 Se20",
"formula_reduced": "USe2",
"formula_anonymous": "AB2",
"energy": -226.38353063,
"energy_per_atom": -7.5461176876666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -216.94353063,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 20.0000001,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.827000Z",
"spacegroup": 85
},
{
"id": "mp-1001024",
"created_at": "2022-09-04T14:41:25.665824Z",
"structure_string": "Y4 Mg2 S8\n1.0\n0.000000 5.592897 5.592897\n5.592897 0.000000 5.592897\n5.592897 5.592897 0.000000\nY Mg S\n4 2 8\ndirect\n0.625000 0.125000 0.625000 Y\n0.625000 0.625000 0.125000 Y\n0.125000 0.625000 0.625000 Y\n0.625000 0.625000 0.625000 Y\n0.000000 0.000000 0.000000 Mg\n0.250000 0.250000 0.250000 Mg\n0.379585 0.379585 0.379585 S\n0.861244 0.379585 0.379585 S\n0.379585 0.861244 0.379585 S\n0.379585 0.379585 0.861244 S\n0.870415 0.870415 0.388756 S\n0.870415 0.388756 0.870415 S\n0.388756 0.870415 0.870415 S\n0.870415 0.870415 0.870415 S\n",
"nsites": 14,
"nelements": 3,
"elements": [
"Y",
"Mg",
"S"
],
"chemical_system": "Mg-S-Y",
"density": 3.1357977510802617,
"density_atomic": 0.04001175270803277,
"volume": 349.8971940109326,
"volume_molar": 15.050929670449035,
"formula_full": "Y4 Mg2 S8",
"formula_reduced": "Y2MgS4",
"formula_anonymous": "AB2C4",
"energy": -92.58610069,
"energy_per_atom": -6.613292906428571,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.56210069,
"band_gap": 1.7768000000000002,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:19.406000Z",
"spacegroup": 227
},
{
"id": "mp-866211",
"created_at": "2022-09-04T14:46:29.221470Z",
"structure_string": "Lu2 Cd1 In1\n1.0\n0.000000 3.683690 3.683690\n3.683690 0.000000 3.683690\n3.683690 3.683690 0.000000\nLu Cd In\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Lu\n0.750000 0.750000 0.750000 Lu\n0.500000 0.500000 0.500000 Cd\n0.000000 0.000000 0.000000 In\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Lu",
"Cd",
"In"
],
"chemical_system": "Cd-In-Lu",
"density": 9.586682815837493,
"density_atomic": 0.04001112570168054,
"volume": 99.9721934799748,
"volume_molar": 15.051165530559063,
"formula_full": "Lu2 Cd1 In1",
"formula_reduced": "Lu2CdIn",
"formula_anonymous": "ABC2",
"energy": -14.13291308,
"energy_per_atom": -3.53322827,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.13291308,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0041644,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:42.772000Z",
"spacegroup": 225
},
{
"id": "mp-623814",
"created_at": "2022-09-04T14:44:31.095639Z",
"structure_string": "Hf16 Fe2 Te12\n1.0\n3.738266 0.000000 0.000000\n0.000000 7.691725 0.000000\n0.000000 0.000000 26.076736\nHf Fe Te\n16 2 12\ndirect\n0.500000 0.739211 0.433886 Hf\n0.000000 0.260789 0.066114 Hf\n0.500000 0.073789 0.500000 Hf\n0.000000 0.057696 0.801538 Hf\n0.000000 0.260789 0.933886 Hf\n0.500000 0.942304 0.698462 Hf\n0.500000 0.943882 0.900606 Hf\n0.000000 0.056118 0.599394 Hf\n0.000000 0.056118 0.400606 Hf\n0.500000 0.942304 0.301538 Hf\n0.000000 0.459232 0.500000 Hf\n0.000000 0.926211 0.000000 Hf\n0.500000 0.540768 0.000000 Hf\n0.000000 0.057696 0.198462 Hf\n0.500000 0.943882 0.099394 Hf\n0.500000 0.739211 0.566114 Hf\n0.000000 0.816177 0.500000 Fe\n0.500000 0.183823 0.000000 Fe\n0.000000 0.699413 0.344134 Te\n0.000000 0.649329 0.082139 Te\n0.500000 0.350671 0.417861 Te\n0.000000 0.649329 0.917861 Te\n0.500000 0.300587 0.155866 Te\n0.500000 0.300587 0.844134 Te\n0.500000 0.775488 0.202505 Te\n0.000000 0.224512 0.702505 Te\n0.000000 0.224512 0.297495 Te\n0.500000 0.350671 0.582139 Te\n0.500000 0.775488 0.797495 Te\n0.000000 0.699413 0.655866 Te\n",
"nsites": 30,
"nelements": 3,
"elements": [
"Hf",
"Fe",
"Te"
],
"chemical_system": "Fe-Hf-Te",
"density": 9.963039375344623,
"density_atomic": 0.04001050887904951,
"volume": 749.8030102713526,
"volume_molar": 15.051397567086038,
"formula_full": "Hf16 Fe2 Te12",
"formula_reduced": "Hf8FeTe6",
"formula_anonymous": "AB6C8",
"energy": -237.77874367,
"energy_per_atom": -7.925958122333333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.71474367,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0137244,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.674000Z",
"spacegroup": 59
},
{
"id": "mp-1217617",
"created_at": "2022-09-04T14:48:22.247224Z",
"structure_string": "Tb1 Ag1 Sn1\n1.0\n0.000000 0.000000 3.287963\n2.565984 4.443643 0.000000\n-2.565984 4.443643 0.000000\nTb Ag Sn\n1 1 1\ndirect\n0.000000 0.666658 0.666658 Tb\n0.000000 0.333335 0.333335 Ag\n0.500000 0.000007 0.000007 Sn\n",
"nsites": 3,
"nelements": 3,
"elements": [
"Tb",
"Ag",
"Sn"
],
"chemical_system": "Ag-Sn-Tb",
"density": 8.537435922008905,
"density_atomic": 0.04001024701556092,
"volume": 74.98079176649996,
"volume_molar": 15.051496077137061,
"formula_full": "Tb1 Ag1 Sn1",
"formula_reduced": "TbAgSn",
"formula_anonymous": "ABC",
"energy": -11.9486054,
"energy_per_atom": -3.9828684666666665,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.9486054,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001242,
"is_theoretical": true,
"updated_at": "2021-11-28T01:39:38.789000Z",
"spacegroup": 187
},
{
"id": "mp-1232197",
"created_at": "2022-09-04T14:41:49.043314Z",
"structure_string": "Ce2 Mg2 S6\n1.0\n5.462824 3.851003 0.000000\n-5.462824 3.851003 0.000000\n0.000000 3.354531 5.940353\nCe Mg S\n2 2 6\ndirect\n0.804803 0.804803 0.262774 Ce\n0.195197 0.195197 0.737226 Ce\n0.326130 0.673870 0.000000 Mg\n0.673870 0.326130 0.000000 Mg\n0.247861 0.944140 0.176479 S\n0.752139 0.055860 0.823521 S\n0.055860 0.752139 0.823521 S\n0.944140 0.247861 0.176479 S\n0.555948 0.555948 0.715216 S\n0.444052 0.444052 0.284784 S\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Ce",
"Mg",
"S"
],
"chemical_system": "Ce-Mg-S",
"density": 3.4629550418848347,
"density_atomic": 0.04000982808996571,
"volume": 249.9385895264058,
"volume_molar": 15.051653674838775,
"formula_full": "Ce2 Mg2 S6",
"formula_reduced": "CeMgS3",
"formula_anonymous": "ABC3",
"energy": -56.33451321,
"energy_per_atom": -5.633451321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -53.31651321,
"band_gap": 0.4020999999999999,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 4.7e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:27.619000Z",
"spacegroup": 12
},
{
"id": "mp-672187",
"created_at": "2022-09-04T14:48:21.382888Z",
"structure_string": "Pr4 Pd4 Pb2\n1.0\n8.105656 0.000000 0.000000\n0.000000 8.105656 0.000000\n0.000000 0.000000 3.804276\nPr Pd Pb\n4 4 2\ndirect\n0.323700 0.823700 0.500000 Pr\n0.676300 0.176300 0.500000 Pr\n0.823700 0.676300 0.500000 Pr\n0.176300 0.323700 0.500000 Pr\n0.877462 0.377462 0.000000 Pd\n0.622538 0.877462 0.000000 Pd\n0.377462 0.122538 0.000000 Pd\n0.122538 0.622538 0.000000 Pd\n0.500000 0.500000 0.000000 Pb\n0.000000 0.000000 0.000000 Pb\n",
"nsites": 10,
"nelements": 3,
"elements": [
"Pr",
"Pd",
"Pb"
],
"chemical_system": "Pb-Pd-Pr",
"density": 9.32563304495624,
"density_atomic": 0.04000844254666288,
"volume": 249.9472452179747,
"volume_molar": 15.052174932768807,
"formula_full": "Pr4 Pd4 Pb2",
"formula_reduced": "Pr2Pd2Pb",
"formula_anonymous": "AB2C2",
"energy": -55.01618759,
"energy_per_atom": -5.501618759,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -55.01618759,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0606457,
"is_theoretical": false,
"updated_at": "2021-11-28T01:39:35.200000Z",
"spacegroup": 127
},
{
"id": "mp-1094736",
"created_at": "2022-09-04T14:42:01.116873Z",
"structure_string": "Mg2 Sn2\n1.0\n3.499421 0.000000 0.000000\n0.000000 4.992147 0.000000\n0.000000 0.000000 5.723095\nMg Sn\n2 2\ndirect\n0.000000 0.091739 0.000000 Mg\n0.500000 0.908261 0.500000 Mg\n0.500000 0.591059 0.000000 Sn\n0.000000 0.408941 0.500000 Sn\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Mg",
"Sn"
],
"chemical_system": "Mg-Sn",
"density": 4.750574898702952,
"density_atomic": 0.04000787433597658,
"volume": 99.98031803461875,
"volume_molar": 15.052388710851016,
"formula_full": "Mg2 Sn2",
"formula_reduced": "MgSn",
"formula_anonymous": "AB",
"energy": -11.49026552,
"energy_per_atom": -2.87256638,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.49026552,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003914,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:35.673000Z",
"spacegroup": 59
},
{
"id": "mp-1026760",
"created_at": "2022-09-04T14:39:29.348283Z",
"structure_string": "Na1 La1 Mg14\n1.0\n6.649497 0.054494 0.000000\n-3.277555 5.676891 0.000000\n0.000000 0.000000 10.544685\nNa La Mg\n1 1 14\ndirect\n0.169279 0.834639 0.125000 Na\n0.164758 0.332378 0.125000 La\n0.164752 0.332375 0.625000 Mg\n0.165587 0.832793 0.625000 Mg\n0.660640 0.324759 0.125000 Mg\n0.666870 0.333136 0.625000 Mg\n0.660640 0.835880 0.125000 Mg\n0.666870 0.833734 0.625000 Mg\n0.339229 0.168282 0.384979 Mg\n0.339229 0.168282 0.865021 Mg\n0.339229 0.670948 0.384979 Mg\n0.339229 0.670948 0.865021 Mg\n0.829745 0.164873 0.380866 Mg\n0.829745 0.164873 0.869134 Mg\n0.832098 0.666050 0.374728 Mg\n0.832098 0.666050 0.875272 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Na",
"La",
"Mg"
],
"chemical_system": "La-Mg-Na",
"density": 2.0850321842352706,
"density_atomic": 0.0400070935214471,
"volume": 399.9290773628102,
"volume_molar": 15.052682486848578,
"formula_full": "Na1 La1 Mg14",
"formula_reduced": "NaLaMg14",
"formula_anonymous": "ABC14",
"energy": -27.84849002,
"energy_per_atom": -1.74053062625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -27.84849002,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001033,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:34.405000Z",
"spacegroup": 38
},
{
"id": "mp-1102923",
"created_at": "2022-09-04T14:44:42.223228Z",
"structure_string": "Eu4 Cd4 Ge4\n1.0\n4.579884 0.000000 0.000000\n0.000000 7.597496 0.000000\n0.000000 0.000000 8.620325\nEu Cd Ge\n4 4 4\ndirect\n0.250000 0.018965 0.310928 Eu\n0.250000 0.518965 0.189072 Eu\n0.750000 0.981035 0.689072 Eu\n0.750000 0.481035 0.810928 Eu\n0.250000 0.149169 0.931073 Cd\n0.250000 0.649169 0.568927 Cd\n0.750000 0.850831 0.068927 Cd\n0.750000 0.350831 0.431073 Cd\n0.250000 0.262505 0.607644 Ge\n0.250000 0.762505 0.892356 Ge\n0.750000 0.737495 0.392356 Ge\n0.750000 0.237495 0.107644 Ge\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Eu",
"Cd",
"Ge"
],
"chemical_system": "Cd-Eu-Ge",
"density": 7.462936077371337,
"density_atomic": 0.040006692482242985,
"volume": 299.94981477977,
"volume_molar": 15.052833379497528,
"formula_full": "Eu4 Cd4 Ge4",
"formula_reduced": "EuCdGe",
"formula_anonymous": "ABC",
"energy": -69.44876137,
"energy_per_atom": -5.787396780833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -69.44876137,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 28.1762869,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:46.032000Z",
"spacegroup": 62
}
]
}