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&page=159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=density&page=157",
"results": [
{
"id": "mp-1097298",
"created_at": "2022-09-04T14:40:17.038830Z",
"structure_string": "Hf1 Si1 Tc2\n1.0\n-4.637122 5.623826 7.911176\n4.637122 -5.623826 7.911176\n4.637122 5.623826 -7.911176\nHf Si Tc\n1 1 2\ndirect\n0.000000 0.500000 0.500000 Hf\n0.000000 0.000000 0.000000 Si\n0.000000 0.247959 0.247959 Tc\n0.000000 0.752041 0.752041 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Si",
"Tc"
],
"chemical_system": "Hf-Si-Tc",
"density": 0.8100559259526493,
"density_atomic": 0.004847061792130735,
"volume": 825.2422130235784,
"volume_molar": 124.24311919804735,
"formula_full": "Hf1 Si1 Tc2",
"formula_reduced": "HfSiTc2",
"formula_anonymous": "ABC2",
"energy": -22.66371795,
"energy_per_atom": -5.6659294875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.73471795,
"band_gap": 0.121,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.99992,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.986000Z",
"spacegroup": 71
},
{
"id": "mp-1097534",
"created_at": "2022-09-04T14:40:26.694561Z",
"structure_string": "Nb1 Tc2 Sn1\n1.0\n-4.849941 5.504747 7.823783\n4.849941 -5.504747 7.823783\n4.849941 5.504747 -7.823783\nNb Tc Sn\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Nb\n0.000000 0.229099 0.229099 Tc\n0.000000 0.770901 0.770901 Tc\n0.000000 0.500000 0.500000 Sn\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Tc",
"Sn"
],
"chemical_system": "Nb-Sn-Tc",
"density": 0.8101214262879939,
"density_atomic": 0.00478750658988162,
"volume": 835.5079883240239,
"volume_molar": 125.78866779479273,
"formula_full": "Nb1 Tc2 Sn1",
"formula_reduced": "NbTc2Sn",
"formula_anonymous": "ABC2",
"energy": -21.25699924,
"energy_per_atom": -5.31424981,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -21.25699924,
"band_gap": 0.0886,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.0000017,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:58.631000Z",
"spacegroup": 71
},
{
"id": "mp-1096754",
"created_at": "2022-09-04T14:40:19.646525Z",
"structure_string": "Tc2 Ge1 As1\n1.0\n-4.709378 5.138859 7.268583\n4.709378 -5.138859 7.268583\n4.709378 5.138859 -7.268583\nTc Ge As\n2 1 1\ndirect\n0.000000 0.252345 0.252345 Tc\n0.000000 0.747655 0.747655 Tc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 As\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"Ge",
"As"
],
"chemical_system": "As-Ge-Tc",
"density": 0.8107999559360768,
"density_atomic": 0.005684862877034251,
"volume": 703.6229521312164,
"volume_molar": 105.93291149252316,
"formula_full": "Tc2 Ge1 As1",
"formula_reduced": "Tc2GeAs",
"formula_anonymous": "ABC2",
"energy": -19.91634642,
"energy_per_atom": -4.979086605,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.91634642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.5010969,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:59.423000Z",
"spacegroup": 71
},
{
"id": "mp-1096750",
"created_at": "2022-09-04T14:39:06.303671Z",
"structure_string": "Zr1 In1 Ru2\n1.0\n-4.939129 5.579915 7.581532\n4.939129 -5.579915 7.581532\n4.939129 5.579915 -7.581532\nZr In Ru\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zr\n0.000000 0.500000 0.500000 In\n0.000000 0.227659 0.227659 Ru\n0.000000 0.772341 0.772341 Ru\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zr",
"In",
"Ru"
],
"chemical_system": "In-Ru-Zr",
"density": 0.8109760535259312,
"density_atomic": 0.004785916036483913,
"volume": 835.7856614088647,
"volume_molar": 125.83047245484707,
"formula_full": "Zr1 In1 Ru2",
"formula_reduced": "ZrInRu2",
"formula_anonymous": "ABC2",
"energy": -19.02771277,
"energy_per_atom": -4.7569281925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -19.02771277,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.5382794,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:45.189000Z",
"spacegroup": 71
},
{
"id": "mp-1096523",
"created_at": "2022-09-04T14:45:04.715065Z",
"structure_string": "Nb2 Co1 Re1\n1.0\n4.866400 9.735294 0.000000\n-4.866400 9.735294 0.000000\n0.000000 6.279113 9.306480\nNb Co Re\n2 1 1\ndirect\n0.266762 0.733238 0.000000 Nb\n0.768307 0.231693 0.000000 Nb\n0.982235 0.017765 0.000000 Co\n0.482566 0.517434 0.000000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Nb",
"Co",
"Re"
],
"chemical_system": "Co-Nb-Re",
"density": 0.8115338537515852,
"density_atomic": 0.004536152769145024,
"volume": 881.8045166397519,
"volume_molar": 132.7587730502087,
"formula_full": "Nb2 Co1 Re1",
"formula_reduced": "Nb2CoRe",
"formula_anonymous": "ABC2",
"energy": -23.45961579,
"energy_per_atom": -5.8649039475,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -23.45961579,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:45.886000Z",
"spacegroup": 5
},
{
"id": "mp-569405",
"created_at": "2022-09-04T14:40:27.470585Z",
"structure_string": "B36 H60\n1.0\n7.126046 0.000000 0.000000\n0.000000 11.466330 0.000000\n0.000000 7.716496 11.259803\nB H\n36 60\ndirect\n0.198473 0.127234 0.658624 B\n0.870896 0.712068 0.468985 B\n0.767660 0.009874 0.370070 B\n0.232340 0.990126 0.629930 B\n0.508381 0.319505 0.454713 B\n0.134404 0.324331 0.847542 B\n0.008381 0.680495 0.045287 B\n0.791202 0.597214 0.081507 B\n0.267660 0.990126 0.129930 B\n0.365596 0.324331 0.347542 B\n0.872087 0.703885 0.600704 B\n0.627913 0.703885 0.100704 B\n0.698473 0.872766 0.841376 B\n0.301527 0.127234 0.158624 B\n0.629104 0.712068 0.968985 B\n0.860074 0.710338 0.927068 B\n0.372087 0.296115 0.899296 B\n0.991619 0.319505 0.954713 B\n0.055817 0.130938 0.550323 B\n0.639926 0.710338 0.427068 B\n0.444183 0.130938 0.050323 B\n0.732340 0.009874 0.870070 B\n0.865596 0.675669 0.152458 B\n0.708798 0.597214 0.581507 B\n0.127913 0.296115 0.399296 B\n0.634404 0.675669 0.652458 B\n0.208798 0.402786 0.918493 B\n0.555817 0.869062 0.949677 B\n0.360074 0.289662 0.572932 B\n0.291202 0.402786 0.418493 B\n0.129104 0.287932 0.531015 B\n0.944183 0.869062 0.449677 B\n0.491619 0.680495 0.545287 B\n0.801527 0.872766 0.341376 B\n0.370896 0.287932 0.031015 B\n0.139926 0.289662 0.072932 B\n0.166603 0.877580 0.704108 H\n0.365880 0.096755 0.251077 H\n0.492886 0.343700 0.050533 H\n0.393076 0.898782 0.932025 H\n0.724322 0.472378 0.632506 H\n0.007114 0.343700 0.550533 H\n0.509706 0.653398 0.175473 H\n0.758748 0.776629 0.625130 H\n0.106924 0.898782 0.432025 H\n0.000313 0.767908 0.081666 H\n0.507114 0.656300 0.949467 H\n0.837859 0.368335 0.933459 H\n0.637177 0.944342 0.978766 H\n0.362823 0.055658 0.021234 H\n0.224322 0.527622 0.867494 H\n0.775678 0.472378 0.132506 H\n0.275678 0.527622 0.367494 H\n0.134120 0.096755 0.751077 H\n0.083332 0.335871 0.126560 H\n0.862823 0.944342 0.478766 H\n0.085188 0.376594 0.747779 H\n0.241252 0.223371 0.374870 H\n0.865880 0.903245 0.248923 H\n0.893076 0.101218 0.567975 H\n0.333397 0.877580 0.204108 H\n0.339278 0.047550 0.679177 H\n0.416668 0.335871 0.626560 H\n0.914812 0.623406 0.252221 H\n0.490294 0.346602 0.824527 H\n0.872377 0.013644 0.918946 H\n0.999687 0.232092 0.918334 H\n0.162141 0.631665 0.066541 H\n0.833397 0.122420 0.295892 H\n0.666603 0.122420 0.795892 H\n0.499687 0.767908 0.581666 H\n0.627623 0.013644 0.418946 H\n0.585188 0.623406 0.752221 H\n0.160722 0.047550 0.179177 H\n0.000452 0.214496 0.069634 H\n0.258748 0.223371 0.874870 H\n0.990294 0.653398 0.675473 H\n0.634120 0.903245 0.748923 H\n0.337859 0.631665 0.566541 H\n0.372377 0.986356 0.581054 H\n0.500452 0.785504 0.430366 H\n0.127623 0.986356 0.081054 H\n0.992886 0.656300 0.449467 H\n0.606924 0.101218 0.067975 H\n0.137177 0.055658 0.521234 H\n0.660722 0.952450 0.320823 H\n0.414812 0.376594 0.247779 H\n0.839278 0.952450 0.820823 H\n0.999548 0.785504 0.930366 H\n0.916668 0.664129 0.873440 H\n0.009706 0.346602 0.324527 H\n0.583332 0.664129 0.373440 H\n0.500313 0.232092 0.418334 H\n0.499548 0.214496 0.569634 H\n0.741252 0.776629 0.125130 H\n0.662141 0.368335 0.433459 H\n",
"nsites": 96,
"nelements": 2,
"elements": [
"B",
"H"
],
"chemical_system": "B-H",
"density": 0.8115989554964317,
"density_atomic": 0.10434397633173004,
"volume": 920.0339432608655,
"volume_molar": 5.771431156557069,
"formula_full": "B36 H60",
"formula_reduced": "B3H5",
"formula_anonymous": "A3B5",
"energy": -460.63779863,
"energy_per_atom": -4.798310402395834,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -449.89779863,
"band_gap": 3.6391,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0028683,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:01.881000Z",
"spacegroup": 14
},
{
"id": "mp-1096531",
"created_at": "2022-09-04T14:46:01.333062Z",
"structure_string": "Zn1 Ga1 Ni2\n1.0\n-8.136371 0.000000 -4.697536\n-7.966759 0.423059 4.403758\n-5.567142 7.210200 0.247500\nZn Ga Ni\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Ga\n0.741751 0.000000 0.000000 Ni\n0.258249 0.000000 0.000000 Ni\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ga",
"Ni"
],
"chemical_system": "Ga-Ni-Zn",
"density": 0.8122123275239245,
"density_atomic": 0.007747949008226887,
"volume": 516.2656589186042,
"volume_molar": 77.72561168904961,
"formula_full": "Zn1 Ga1 Ni2",
"formula_reduced": "ZnGaNi2",
"formula_anonymous": "ABC2",
"energy": -9.07739693,
"energy_per_atom": -2.2693492325,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.07739693,
"band_gap": 0.0055999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.9919432,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:20.968000Z",
"spacegroup": 71
},
{
"id": "mp-1096747",
"created_at": "2022-09-04T14:43:41.068150Z",
"structure_string": "Zn1 Ge1 Rh2\n1.0\n-4.759441 5.107124 7.225053\n4.759441 -5.107124 7.225053\n4.759441 5.107124 -7.225053\nZn Ge Rh\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Zn\n0.000000 0.500000 0.500000 Ge\n0.000000 0.266741 0.266741 Rh\n0.000000 0.733259 0.733259 Rh\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Zn",
"Ge",
"Rh"
],
"chemical_system": "Ge-Rh-Zn",
"density": 0.8128256081903343,
"density_atomic": 0.005694119964574411,
"volume": 702.4790529328034,
"volume_molar": 105.76069344282082,
"formula_full": "Zn1 Ge1 Rh2",
"formula_reduced": "ZnGeRh2",
"formula_anonymous": "ABC2",
"energy": -12.95026724,
"energy_per_atom": -3.23756681,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -12.95026724,
"band_gap": 0.4298000000000002,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0003847,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:13.279000Z",
"spacegroup": 71
},
{
"id": "mp-571156",
"created_at": "2022-09-04T14:39:42.414174Z",
"structure_string": "Mg2 B4 H16\n1.0\n4.311885 0.000000 0.000000\n0.000000 6.096774 0.000000\n0.000000 0.000000 8.390713\nMg B H\n2 4 16\ndirect\n0.000000 0.698364 0.500619 Mg\n0.000000 0.301636 0.000619 Mg\n0.000000 0.517956 0.244939 B\n0.000000 0.482044 0.744939 B\n0.500000 0.102372 0.978812 B\n0.500000 0.897628 0.478812 B\n0.279787 0.941815 0.566849 H\n0.500000 0.008161 0.359855 H\n0.500000 0.991839 0.859855 H\n0.000000 0.416758 0.372167 H\n0.000000 0.718555 0.255742 H\n0.279787 0.058185 0.066849 H\n0.759932 0.531693 0.676248 H\n0.240068 0.468307 0.176248 H\n0.000000 0.281445 0.755742 H\n0.500000 0.700370 0.442702 H\n0.720213 0.058185 0.066849 H\n0.000000 0.583242 0.872167 H\n0.720213 0.941815 0.566849 H\n0.240068 0.531693 0.676248 H\n0.759932 0.468307 0.176248 H\n0.500000 0.299630 0.942702 H\n",
"nsites": 22,
"nelements": 3,
"elements": [
"Mg",
"B",
"H"
],
"chemical_system": "B-H-Mg",
"density": 0.8128875478036385,
"density_atomic": 0.09973705680697473,
"volume": 220.58000009542607,
"volume_molar": 6.0380173155248595,
"formula_full": "Mg2 B4 H16",
"formula_reduced": "Mg(BH4)2",
"formula_anonymous": "AB2C8",
"energy": -91.46163345,
"energy_per_atom": -4.157346974999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.59763344999999,
"band_gap": 6.046200000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003419,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:40.936000Z",
"spacegroup": 26
},
{
"id": "mp-1093936",
"created_at": "2022-09-04T14:41:10.596432Z",
"structure_string": "Be2 Zn1 Os1\n1.0\n-7.686162 0.000000 -4.437608\n-7.941631 0.069947 4.880093\n-5.242237 7.704984 0.204606\nBe Zn Os\n2 1 1\ndirect\n0.740945 0.000000 0.000000 Be\n0.259055 0.000000 0.000000 Be\n0.000000 0.000000 0.000000 Zn\n0.500000 0.000000 0.000000 Os\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Be",
"Zn",
"Os"
],
"chemical_system": "Be-Os-Zn",
"density": 0.8132103028673328,
"density_atomic": 0.00715808918148313,
"volume": 558.8083493493461,
"volume_molar": 84.13056344112542,
"formula_full": "Be2 Zn1 Os1",
"formula_reduced": "Be2ZnOs",
"formula_anonymous": "ABC2",
"energy": -9.22762879,
"energy_per_atom": -2.3069071975,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -9.22762879,
"band_gap": 0.4119000000000001,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9999381,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:17.193000Z",
"spacegroup": 71
},
{
"id": "mp-1096287",
"created_at": "2022-09-04T14:39:42.009459Z",
"structure_string": "Tc2 Ge1 Mo1\n1.0\n-4.599424 5.378660 7.522911\n4.599424 -5.378660 7.522911\n4.599424 5.378660 -7.522911\nTc Ge Mo\n2 1 1\ndirect\n0.000000 0.258472 0.258472 Tc\n0.000000 0.741528 0.741528 Tc\n0.000000 0.000000 0.000000 Ge\n0.000000 0.500000 0.500000 Mo\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tc",
"Ge",
"Mo"
],
"chemical_system": "Ge-Mo-Tc",
"density": 0.8132395353926072,
"density_atomic": 0.005373243683607147,
"volume": 744.4292936505597,
"volume_molar": 112.07644980577612,
"formula_full": "Tc2 Ge1 Mo1",
"formula_reduced": "Tc2GeMo",
"formula_anonymous": "ABC2",
"energy": -22.2330791,
"energy_per_atom": -5.558269775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.2330791,
"band_gap": 0.2154999999999995,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9991102,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:37.208000Z",
"spacegroup": 71
},
{
"id": "mp-1093538",
"created_at": "2022-09-04T14:46:24.952364Z",
"structure_string": "Mn1 V2 Re1\n1.0\n-5.053553 5.065758 6.838023\n5.053553 -5.065758 6.838023\n5.053553 5.065758 -6.838023\nMn V Re\n1 2 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.285067 0.000000 0.285067 V\n0.714933 0.000000 0.714933 V\n0.500000 0.000000 0.500000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Mn",
"V",
"Re"
],
"chemical_system": "Mn-Re-V",
"density": 0.8134800625155783,
"density_atomic": 0.005712525859062473,
"volume": 700.2156486791766,
"volume_molar": 105.41992996751775,
"formula_full": "Mn1 V2 Re1",
"formula_reduced": "MnV2Re",
"formula_anonymous": "ABC2",
"energy": -24.5775128,
"energy_per_atom": -6.1443782,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -24.5775128,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.6330872,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:32.574000Z",
"spacegroup": 71
}
]
}