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=12159",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-energy_per_atom&page=12157",
"results": [
{
"id": "mp-973443",
"created_at": "2022-09-04T14:42:07.129753Z",
"structure_string": "Hf2 Re1 Tc1\n1.0\n0.000000 3.270413 3.270413\n3.270413 0.000000 3.270413\n3.270413 3.270413 0.000000\nHf Re Tc\n2 1 1\ndirect\n0.250000 0.250000 0.250000 Hf\n0.750000 0.750000 0.750000 Hf\n0.500000 0.500000 0.500000 Re\n0.000000 0.000000 0.000000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Hf",
"Re",
"Tc"
],
"chemical_system": "Hf-Re-Tc",
"density": 15.219346645818876,
"density_atomic": 0.057177109210279346,
"volume": 69.95806635290468,
"volume_molar": 10.532433071865295,
"formula_full": "Hf2 Re1 Tc1",
"formula_reduced": "Hf2ReTc",
"formula_anonymous": "ABC2",
"energy": -44.33531531,
"energy_per_atom": -11.0838288275,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.33531531,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.004445,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:45.210000Z",
"spacegroup": 225
},
{
"id": "mp-972323",
"created_at": "2022-09-04T14:42:15.078034Z",
"structure_string": "Ta1 Nb1 Tc2\n1.0\n0.000000 3.193619 3.193619\n3.193619 0.000000 3.193619\n3.193619 3.193619 0.000000\nTa Nb Tc\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ta\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Tc\n0.750000 0.750000 0.750000 Tc\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ta",
"Nb",
"Tc"
],
"chemical_system": "Nb-Ta-Tc",
"density": 11.976583878407984,
"density_atomic": 0.0614017410118996,
"volume": 65.14473260985879,
"volume_molar": 9.807768738728296,
"formula_full": "Ta1 Nb1 Tc2",
"formula_reduced": "TaNbTc2",
"formula_anonymous": "ABC2",
"energy": -44.33888258,
"energy_per_atom": -11.084720645,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.33888258,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0004498,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:37.255000Z",
"spacegroup": 225
},
{
"id": "mp-862589",
"created_at": "2022-09-04T14:47:08.558450Z",
"structure_string": "Re6 Pt2\n1.0\n2.797280 -4.845032 0.000000\n2.797280 4.845032 0.000000\n0.000000 0.000000 4.437120\nRe Pt\n6 2\ndirect\n0.159275 0.318551 0.250000 Re\n0.681449 0.840725 0.250000 Re\n0.159275 0.840725 0.250000 Re\n0.840725 0.681449 0.750000 Re\n0.318551 0.159275 0.750000 Re\n0.840725 0.159275 0.750000 Re\n0.333333 0.666667 0.750000 Pt\n0.666667 0.333333 0.250000 Pt\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Re",
"Pt"
],
"chemical_system": "Pt-Re",
"density": 20.812139566556315,
"density_atomic": 0.06651601569838606,
"volume": 120.27178591507416,
"volume_molar": 9.053670302964525,
"formula_full": "Re6 Pt2",
"formula_reduced": "Re3Pt",
"formula_anonymous": "AB3",
"energy": -88.68490379,
"energy_per_atom": -11.08561297375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.68490379,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001649,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:52.056000Z",
"spacegroup": 194
},
{
"id": "mp-867212",
"created_at": "2022-09-04T14:43:38.028054Z",
"structure_string": "Tc2 Os6\n1.0\n2.761816 -4.783606 0.000000\n2.761816 4.783606 0.000000\n0.000000 0.000000 4.357727\nTc Os\n2 6\ndirect\n0.333333 0.666667 0.750000 Tc\n0.666667 0.333333 0.250000 Tc\n0.167377 0.334754 0.250000 Os\n0.665246 0.832623 0.250000 Os\n0.167377 0.832623 0.250000 Os\n0.832623 0.665246 0.750000 Os\n0.334754 0.167377 0.750000 Os\n0.832623 0.167377 0.750000 Os\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Tc",
"Os"
],
"chemical_system": "Os-Tc",
"density": 19.28695927323999,
"density_atomic": 0.06947840321582621,
"volume": 115.1436940073158,
"volume_molar": 8.667644161730303,
"formula_full": "Tc2 Os6",
"formula_reduced": "TcOs3",
"formula_anonymous": "AB3",
"energy": -88.68780414,
"energy_per_atom": -11.0859755175,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -88.68780414,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0001616,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:18.303000Z",
"spacegroup": 194
},
{
"id": "mp-1186194",
"created_at": "2022-09-04T14:43:13.290616Z",
"structure_string": "Np3 B1\n1.0\n-0.000178 3.123615 3.123605\n3.123790 -0.000329 3.123757\n3.123721 3.123698 -0.000261\nNp B\n3 1\ndirect\n0.000014 0.999985 0.000004 Np\n0.499993 0.500008 0.499991 Np\n0.249999 0.250001 0.250006 Np\n0.749995 0.750007 0.750001 B\n",
"nsites": 4,
"nelements": 2,
"elements": [
"Np",
"B"
],
"chemical_system": "B-Np",
"density": 19.659942074283105,
"density_atomic": 0.0656099386380612,
"volume": 60.96637312932262,
"volume_molar": 9.178702015286563,
"formula_full": "Np3 B1",
"formula_reduced": "Np3B",
"formula_anonymous": "AB3",
"energy": -44.34919501,
"energy_per_atom": -11.0872987525,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.34919501,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.8125938,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.501000Z",
"spacegroup": 225
},
{
"id": "mp-1216231",
"created_at": "2022-09-04T14:42:40.121023Z",
"structure_string": "V1 W1\n1.0\n1.555032 -2.232577 0.000000\n1.555032 2.232577 0.000000\n0.000000 0.000000 4.294738\nV W\n1 1\ndirect\n0.000000 0.000000 0.000000 V\n0.500000 0.500000 0.500000 W\n",
"nsites": 2,
"nelements": 2,
"elements": [
"V",
"W"
],
"chemical_system": "V-W",
"density": 13.073760446546535,
"density_atomic": 0.06706833860319643,
"volume": 29.820330153588767,
"volume_molar": 8.979111284729198,
"formula_full": "V1 W1",
"formula_reduced": "VW",
"formula_anonymous": "AB",
"energy": -22.17910642,
"energy_per_atom": -11.08955321,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -22.17910642,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0243515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:50.606000Z",
"spacegroup": 65
},
{
"id": "mp-21149",
"created_at": "2022-09-04T14:40:22.002937Z",
"structure_string": "Gd2 O4\n1.0\n3.373380 0.000000 0.000000\n0.000000 3.373380 0.000000\n0.000000 0.000000 6.465444\nGd O\n2 4\ndirect\n0.000000 0.500000 0.732113 Gd\n0.500000 0.000000 0.267887 Gd\n0.000000 0.000000 0.000000 O\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.635420 O\n0.000000 0.500000 0.364580 O\n",
"nsites": 6,
"nelements": 2,
"elements": [
"Gd",
"O"
],
"chemical_system": "Gd-O",
"density": 8.542467624531808,
"density_atomic": 0.08154969937529534,
"volume": 73.57476540027123,
"volume_molar": 7.3846265604068515,
"formula_full": "Gd2 O4",
"formula_reduced": "GdO2",
"formula_anonymous": "AB2",
"energy": -66.53886778,
"energy_per_atom": -11.089811296666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -63.79086778,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 12.1903531,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:49.080000Z",
"spacegroup": 129
},
{
"id": "mp-558552",
"created_at": "2022-09-04T14:44:00.845907Z",
"structure_string": "Ta12 S2\n1.0\n5.224710 0.004216 -0.773057\n-2.955511 6.267934 -3.056530\n0.001204 -0.000836 7.579011\nTa S\n12 2\ndirect\n0.558076 0.775105 0.590434 Ta\n0.441924 0.224895 0.409566 Ta\n0.002747 0.371683 0.295208 Ta\n0.500000 0.000000 0.000000 Ta\n0.149416 0.721034 0.150315 Ta\n0.228779 0.064362 0.691924 Ta\n0.527799 0.575152 0.863203 Ta\n0.771221 0.935638 0.308076 Ta\n0.850584 0.278966 0.849685 Ta\n0.997253 0.628317 0.704792 Ta\n0.000000 0.000000 0.000000 Ta\n0.472201 0.424848 0.136797 Ta\n0.074879 0.299623 0.584593 S\n0.925121 0.700377 0.415407 S\n",
"nsites": 14,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 14.95122636429761,
"density_atomic": 0.056387156563954405,
"volume": 248.28348959432236,
"volume_molar": 10.679986590864319,
"formula_full": "Ta12 S2",
"formula_reduced": "Ta6S",
"formula_anonymous": "AB6",
"energy": -155.2664142,
"energy_per_atom": -11.090458157142859,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -154.2604142,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0013064,
"is_theoretical": false,
"updated_at": "2021-11-28T01:36:24.425000Z",
"spacegroup": 2
},
{
"id": "mp-27467",
"created_at": "2022-09-04T14:39:10.450286Z",
"structure_string": "Ta24 S4\n1.0\n2.658410 7.120769 0.000000\n-2.658410 7.120769 0.000000\n0.000000 7.016025 13.136951\nTa S\n24 4\ndirect\n0.680076 0.998149 0.545984 Ta\n0.001851 0.319924 0.954016 Ta\n0.319924 0.001851 0.454016 Ta\n0.998149 0.680076 0.045984 Ta\n0.273788 0.599364 0.594418 Ta\n0.400636 0.726212 0.905582 Ta\n0.726212 0.400636 0.405582 Ta\n0.599364 0.273788 0.094418 Ta\n0.889540 0.181849 0.826302 Ta\n0.818151 0.110460 0.673698 Ta\n0.110460 0.818151 0.173698 Ta\n0.181849 0.889540 0.326302 Ta\n0.063495 0.358106 0.603064 Ta\n0.641894 0.936505 0.896936 Ta\n0.936505 0.641894 0.396936 Ta\n0.358106 0.063495 0.103064 Ta\n0.424635 0.787289 0.682786 Ta\n0.212711 0.575365 0.817214 Ta\n0.575365 0.212711 0.317214 Ta\n0.787289 0.424635 0.182786 Ta\n0.654584 0.840597 0.248287 Ta\n0.159403 0.345416 0.251713 Ta\n0.345416 0.159403 0.751713 Ta\n0.840597 0.654584 0.748287 Ta\n0.306561 0.475541 0.456430 S\n0.524459 0.693439 0.043570 S\n0.693439 0.524459 0.543570 S\n0.475541 0.306561 0.956430 S\n",
"nsites": 28,
"nelements": 2,
"elements": [
"Ta",
"S"
],
"chemical_system": "S-Ta",
"density": 14.92729852688672,
"density_atomic": 0.05629691495557728,
"volume": 497.36295536077273,
"volume_molar": 10.69710616425775,
"formula_full": "Ta24 S4",
"formula_reduced": "Ta6S",
"formula_anonymous": "AB6",
"energy": -310.56176849,
"energy_per_atom": -11.091491731785714,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -308.54976849,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0008955,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.668000Z",
"spacegroup": 15
},
{
"id": "mp-8643",
"created_at": "2022-09-04T14:45:09.701003Z",
"structure_string": "Os1\n1.0\n0.000000 1.931726 1.931726\n1.931726 0.000000 1.931726\n1.931726 1.931726 0.000000\nOs\n1\ndirect\n0.000000 0.000000 0.000000 Os\n",
"nsites": 1,
"nelements": 1,
"elements": [
"Os"
],
"chemical_system": "Os",
"density": 21.910966458732304,
"density_atomic": 0.06936388805536671,
"volume": 14.416723572383852,
"volume_molar": 8.681953865090561,
"formula_full": "Os1",
"formula_reduced": "Os",
"formula_anonymous": "A",
"energy": -11.094008,
"energy_per_atom": -11.094008,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -11.094008,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003331,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:49.661000Z",
"spacegroup": 225
},
{
"id": "mp-676108",
"created_at": "2022-09-04T14:43:09.046221Z",
"structure_string": "Gd8 Zr7 O26\n1.0\n3.806790 12.231274 0.000000\n-3.806790 12.231274 0.000000\n0.000000 13.123409 6.456379\nGd Zr O\n8 7 26\ndirect\n0.000000 0.000000 0.000000 Gd\n0.000000 0.500000 0.500000 Gd\n0.994614 0.994614 0.764056 Gd\n0.500000 0.000000 0.500000 Gd\n0.000000 0.500000 0.000000 Gd\n0.500000 0.000000 0.000000 Gd\n0.000000 0.000000 0.500000 Gd\n0.005386 0.005386 0.235944 Gd\n0.481138 0.481138 0.774693 Zr\n0.500000 0.500000 0.500000 Zr\n0.004870 0.502551 0.259994 Zr\n0.518862 0.518862 0.225307 Zr\n0.502551 0.004870 0.259994 Zr\n0.995130 0.497449 0.740006 Zr\n0.497449 0.995130 0.740006 Zr\n0.131028 0.131028 0.673328 O\n0.159655 0.159655 0.398747 O\n0.591208 0.144763 0.194575 O\n0.128061 0.128061 0.182523 O\n0.584771 0.158080 0.967253 O\n0.144763 0.591208 0.194575 O\n0.158080 0.584771 0.967253 O\n0.158065 0.158065 0.885658 O\n0.401024 0.401024 0.773902 O\n0.810376 0.431322 0.564892 O\n0.588273 0.165442 0.660993 O\n0.834558 0.411727 0.339007 O\n0.568678 0.189624 0.435108 O\n0.165442 0.588273 0.660993 O\n0.431322 0.810376 0.564892 O\n0.189624 0.568678 0.435108 O\n0.841935 0.841935 0.114342 O\n0.598976 0.598976 0.226098 O\n0.411727 0.834558 0.339007 O\n0.841920 0.415229 0.032747 O\n0.855237 0.408792 0.805425 O\n0.415229 0.841920 0.032747 O\n0.871939 0.871939 0.817477 O\n0.408792 0.855237 0.805425 O\n0.840345 0.840345 0.601253 O\n0.868972 0.868972 0.326672 O\n",
"nsites": 41,
"nelements": 3,
"elements": [
"Gd",
"Zr",
"O"
],
"chemical_system": "Gd-O-Zr",
"density": 6.386913769764847,
"density_atomic": 0.06819212589642171,
"volume": 601.2424376133348,
"volume_molar": 8.831138024861025,
"formula_full": "Gd8 Zr7 O26",
"formula_reduced": "Gd8Zr7O26",
"formula_anonymous": "A7B8C26",
"energy": -454.87855956,
"energy_per_atom": -11.094599013658536,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -437.01655956,
"band_gap": 2.0192,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.974000Z",
"spacegroup": 12
},
{
"id": "mp-865653",
"created_at": "2022-09-04T14:42:14.400050Z",
"structure_string": "Ti1 Nb1 Re2\n1.0\n0.000000 3.170111 3.170111\n3.170111 0.000000 3.170111\n3.170111 3.170111 0.000000\nTi Nb Re\n1 1 2\ndirect\n0.000000 0.000000 0.000000 Ti\n0.500000 0.500000 0.500000 Nb\n0.250000 0.250000 0.250000 Re\n0.750000 0.750000 0.750000 Re\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ti",
"Nb",
"Re"
],
"chemical_system": "Nb-Re-Ti",
"density": 13.374318530550559,
"density_atomic": 0.06277787173011574,
"volume": 63.71671880174815,
"volume_molar": 9.592776234736647,
"formula_full": "Ti1 Nb1 Re2",
"formula_reduced": "TiNbRe2",
"formula_anonymous": "ABC2",
"energy": -44.38320766,
"energy_per_atom": -11.095801915,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -44.38320766,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0003747,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.783000Z",
"spacegroup": 225
}
]
}