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_uncorrected&page=10142",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=energy_uncorrected&page=10140",
"results": [
{
"id": "mp-1112017",
"created_at": "2022-09-04T14:42:10.619400Z",
"structure_string": "K2 In1 Sb1 Cl6\n1.0\n0.000000 5.608170 5.608170\n5.608170 0.000000 5.608170\n5.608170 5.608170 0.000000\nK In Sb Cl\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 In\n0.000000 0.000000 0.000000 Sb\n0.762270 0.237730 0.237730 Cl\n0.237730 0.237730 0.762270 Cl\n0.237730 0.762270 0.762270 Cl\n0.237730 0.762270 0.237730 Cl\n0.762270 0.237730 0.762270 Cl\n0.762270 0.762270 0.237730 Cl\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"In",
"Sb",
"Cl"
],
"chemical_system": "Cl-In-K-Sb",
"density": 2.482972808734062,
"density_atomic": 0.0283469602466773,
"volume": 352.77151105371706,
"volume_molar": 21.244396956833803,
"formula_full": "K2 In1 Sb1 Cl6",
"formula_reduced": "K2InSbCl6",
"formula_anonymous": "ABC2D6",
"energy": -36.46062792,
"energy_per_atom": -3.646062792,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77662792,
"band_gap": 1.2295000000000005,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0016478,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.605000Z",
"spacegroup": 225
},
{
"id": "mp-1187321",
"created_at": "2022-09-04T14:46:55.620340Z",
"structure_string": "Tb1 Cu1 O3\n1.0\n3.782912 0.000000 0.000000\n0.000000 3.782912 0.000000\n0.000000 0.000000 3.782912\nTb Cu O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Tb\n0.500000 0.500000 0.500000 Cu\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Tb",
"Cu",
"O"
],
"chemical_system": "Cu-O-Tb",
"density": 8.296382371600236,
"density_atomic": 0.09236156613161269,
"volume": 54.13507164738998,
"volume_molar": 6.52018043026535,
"formula_full": "Tb1 Cu1 O3",
"formula_reduced": "TbCuO3",
"formula_anonymous": "ABC3",
"energy": -34.83755829,
"energy_per_atom": -6.967511657999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77655829,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0011721,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:51.348000Z",
"spacegroup": 221
},
{
"id": "mp-1070275",
"created_at": "2022-09-04T14:42:09.043449Z",
"structure_string": "Al3 Tc2\n1.0\n2.178047 -3.772489 0.000000\n2.178047 3.772489 0.000000\n0.000000 0.000000 5.121001\nAl Tc\n3 2\ndirect\n0.000000 0.000000 0.000000 Al\n0.666667 0.333333 0.391880 Al\n0.333333 0.666667 0.608120 Al\n0.666667 0.333333 0.896201 Tc\n0.333333 0.666667 0.103799 Tc\n",
"nsites": 5,
"nelements": 2,
"elements": [
"Al",
"Tc"
],
"chemical_system": "Al-Tc",
"density": 5.464644799301861,
"density_atomic": 0.05941415416419581,
"volume": 84.15503124360058,
"volume_molar": 10.13586887622321,
"formula_full": "Al3 Tc2",
"formula_reduced": "Al3Tc2",
"formula_anonymous": "A2B3",
"energy": -32.7759245,
"energy_per_atom": -6.5551849,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.7759245,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002777,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:44.229000Z",
"spacegroup": 164
},
{
"id": "mp-1110826",
"created_at": "2022-09-04T14:43:05.494000Z",
"structure_string": "K2 Na1 Y1 I6\n1.0\n0.000000 6.144564 6.144564\n6.144564 0.000000 6.144564\n6.144564 6.144564 0.000000\nK Na Y I\n2 1 1 6\ndirect\n0.750000 0.750000 0.750000 K\n0.250000 0.250000 0.250000 K\n0.500000 0.500000 0.500000 Na\n0.000000 0.000000 0.000000 Y\n0.754569 0.245431 0.245431 I\n0.245431 0.245431 0.754569 I\n0.245431 0.754569 0.754569 I\n0.245431 0.754569 0.245431 I\n0.754569 0.245431 0.754569 I\n0.754569 0.754569 0.245431 I\n",
"nsites": 10,
"nelements": 4,
"elements": [
"K",
"Na",
"Y",
"I"
],
"chemical_system": "I-K-Na-Y",
"density": 3.4053626489965727,
"density_atomic": 0.02155245704143617,
"volume": 463.9842214172737,
"volume_molar": 27.941782917938294,
"formula_full": "K2 Na1 Y1 I6",
"formula_reduced": "K2NaYI6",
"formula_anonymous": "ABC2D6",
"energy": -35.04979882,
"energy_per_atom": -3.5049798819999998,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77579882,
"band_gap": 3.1299,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.0001172,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.049000Z",
"spacegroup": 225
},
{
"id": "mp-1026494",
"created_at": "2022-09-04T14:42:21.638828Z",
"structure_string": "Mg14 Cd1 Mo1\n1.0\n6.296146 -0.013167 0.000000\n-3.159476 5.472372 0.000000\n0.000000 0.000000 9.943448\nMg Cd Mo\n14 1 1\ndirect\n0.166910 0.333454 0.625000 Mg\n0.168707 0.834353 0.625000 Mg\n0.667579 0.331935 0.125000 Mg\n0.665851 0.331407 0.625000 Mg\n0.667579 0.835643 0.125000 Mg\n0.665851 0.834444 0.625000 Mg\n0.327492 0.171471 0.365222 Mg\n0.327492 0.171471 0.884778 Mg\n0.327492 0.656023 0.365222 Mg\n0.327492 0.656023 0.884778 Mg\n0.844297 0.172149 0.367835 Mg\n0.844297 0.172149 0.882165 Mg\n0.833880 0.666940 0.374250 Mg\n0.833880 0.666940 0.875750 Mg\n0.165986 0.832992 0.125000 Cd\n0.165214 0.332606 0.125000 Mo\n",
"nsites": 16,
"nelements": 3,
"elements": [
"Mg",
"Cd",
"Mo"
],
"chemical_system": "Cd-Mg-Mo",
"density": 2.6623110823756475,
"density_atomic": 0.046758143317196244,
"volume": 342.18638433651574,
"volume_molar": 12.87934107893723,
"formula_full": "Mg14 Cd1 Mo1",
"formula_reduced": "Mg14CdMo",
"formula_anonymous": "ABC14",
"energy": -32.77486121,
"energy_per_atom": -2.048428825625,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77486121,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.7199728,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:46.866000Z",
"spacegroup": 38
},
{
"id": "mp-1026805",
"created_at": "2022-09-04T14:40:29.918388Z",
"structure_string": "La1 Ce1 Mg14\n1.0\n6.611676 0.086337 0.000000\n-3.231069 5.596374 0.000000\n0.000000 0.000000 10.600300\nLa Ce Mg\n1 1 14\ndirect\n0.173358 0.336678 0.125000 La\n0.170300 0.835149 0.125000 Ce\n0.166261 0.333130 0.625000 Mg\n0.165575 0.832787 0.625000 Mg\n0.665972 0.333105 0.125000 Mg\n0.666547 0.333982 0.625000 Mg\n0.665972 0.832866 0.125000 Mg\n0.666547 0.832564 0.625000 Mg\n0.338204 0.166730 0.388294 Mg\n0.338204 0.166730 0.861706 Mg\n0.338204 0.671475 0.388294 Mg\n0.338204 0.671475 0.861706 Mg\n0.825215 0.162608 0.381157 Mg\n0.825215 0.162608 0.868843 Mg\n0.828110 0.664056 0.379203 Mg\n0.828110 0.664056 0.870797 Mg\n",
"nsites": 16,
"nelements": 3,
"elements": [
"La",
"Ce",
"Mg"
],
"chemical_system": "Ce-La-Mg",
"density": 2.602230701646924,
"density_atomic": 0.040487558030087266,
"volume": 395.1831322627564,
"volume_molar": 14.874052802900101,
"formula_full": "La1 Ce1 Mg14",
"formula_reduced": "LaCeMg14",
"formula_anonymous": "ABC14",
"energy": -32.77483243,
"energy_per_atom": -2.048427026875,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77483243,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0362843,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:49.418000Z",
"spacegroup": 38
},
{
"id": "mp-1016848",
"created_at": "2022-09-04T14:47:25.468296Z",
"structure_string": "Sr1 Ir1 O3\n1.0\n3.998048 0.000000 0.000000\n0.000000 3.998048 0.000000\n0.000000 0.000000 3.998048\nSr Ir O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Sr\n0.500000 0.500000 0.500000 Ir\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Sr",
"Ir",
"O"
],
"chemical_system": "Ir-O-Sr",
"density": 8.518451756735805,
"density_atomic": 0.07823948672085891,
"volume": 63.90634971621028,
"volume_molar": 7.6970606689760865,
"formula_full": "Sr1 Ir1 O3",
"formula_reduced": "SrIrO3",
"formula_anonymous": "ABC3",
"energy": -34.83538111,
"energy_per_atom": -6.967076222,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77438111,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0956451,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:10.049000Z",
"spacegroup": 221
},
{
"id": "mp-1205757",
"created_at": "2022-09-04T14:42:08.127036Z",
"structure_string": "Rb2 Mo1 Br6\n1.0\n0.000000 5.368860 5.368860\n5.368860 0.000000 5.368860\n5.368860 5.368860 0.000000\nRb Mo Br\n2 1 6\ndirect\n0.250000 0.250000 0.250000 Rb\n0.750000 0.750000 0.750000 Rb\n0.000000 0.000000 0.000000 Mo\n0.761008 0.238992 0.238992 Br\n0.238992 0.761008 0.761008 Br\n0.238992 0.761008 0.238992 Br\n0.761008 0.238992 0.761008 Br\n0.238992 0.238992 0.761008 Br\n0.761008 0.761008 0.238992 Br\n",
"nsites": 9,
"nelements": 3,
"elements": [
"Rb",
"Mo",
"Br"
],
"chemical_system": "Br-Mo-Rb",
"density": 4.003926280116342,
"density_atomic": 0.02907811674275428,
"volume": 309.51110347414885,
"volume_molar": 20.710215910047218,
"formula_full": "Rb2 Mo1 Br6",
"formula_reduced": "Rb2MoBr6",
"formula_anonymous": "AB2C6",
"energy": -35.97785223,
"energy_per_atom": -3.997539136666667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77385223,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9987863,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.166000Z",
"spacegroup": 225
},
{
"id": "mp-1078515",
"created_at": "2022-09-04T14:41:17.895819Z",
"structure_string": "Li2 Tb2 Sn4\n1.0\n2.175570 -9.549210 0.000000\n2.175570 9.549210 0.000000\n0.000000 0.000000 4.533724\nLi Tb Sn\n2 2 4\ndirect\n0.826640 0.173360 0.250000 Li\n0.173360 0.826640 0.750000 Li\n0.606084 0.393916 0.250000 Tb\n0.393916 0.606084 0.750000 Tb\n0.956338 0.043662 0.250000 Sn\n0.043662 0.956338 0.750000 Sn\n0.247589 0.752411 0.250000 Sn\n0.752411 0.247589 0.750000 Sn\n",
"nsites": 8,
"nelements": 3,
"elements": [
"Li",
"Tb",
"Sn"
],
"chemical_system": "Li-Sn-Tb",
"density": 7.109958020731572,
"density_atomic": 0.042468254145803075,
"volume": 188.3760036975902,
"volume_molar": 14.180335125914608,
"formula_full": "Li2 Tb2 Sn4",
"formula_reduced": "LiTbSn2",
"formula_anonymous": "ABC2",
"energy": -32.77342603,
"energy_per_atom": -4.09667825375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77342603,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0002844,
"is_theoretical": false,
"updated_at": "2021-11-28T01:35:17.054000Z",
"spacegroup": 63
},
{
"id": "mp-776117",
"created_at": "2022-09-04T14:43:19.133676Z",
"structure_string": "Li1 Mn1 F4\n1.0\n3.201999 3.392756 0.000000\n-3.201999 3.392756 0.000000\n0.000000 0.212872 3.184070\nLi Mn F\n1 1 4\ndirect\n0.500000 0.500000 0.000000 Li\n0.000000 0.000000 0.500000 Mn\n0.708730 0.291270 0.500000 F\n0.291270 0.708730 0.500000 F\n0.193576 0.193576 0.036235 F\n0.806424 0.806424 0.963765 F\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Li",
"Mn",
"F"
],
"chemical_system": "F-Li-Mn",
"density": 3.309335692764153,
"density_atomic": 0.0867290978014568,
"volume": 69.18093410513049,
"volume_molar": 6.943622051489674,
"formula_full": "Li1 Mn1 F4",
"formula_reduced": "LiMnF4",
"formula_anonymous": "ABC4",
"energy": -36.28825173,
"energy_per_atom": -6.0480419549999995,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77225173,
"band_gap": 1.8179,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.9999545,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:02.901000Z",
"spacegroup": 12
},
{
"id": "mp-8861",
"created_at": "2022-09-04T14:39:41.617721Z",
"structure_string": "Rb2 Mg1 F4\n1.0\n-2.064712 2.064712 7.009514\n2.064712 -2.064712 7.009514\n2.064712 2.064712 -7.009514\nRb Mg F\n2 1 4\ndirect\n0.648298 0.648298 0.000000 Rb\n0.351702 0.351702 0.000000 Rb\n0.000000 0.000000 0.000000 Mg\n0.000000 0.500000 0.500000 F\n0.500000 0.000000 0.500000 F\n0.855364 0.855364 0.000000 F\n0.144636 0.144636 0.000000 F\n",
"nsites": 7,
"nelements": 3,
"elements": [
"Rb",
"Mg",
"F"
],
"chemical_system": "F-Mg-Rb",
"density": 3.768137174176323,
"density_atomic": 0.058564060070538,
"volume": 119.5272320868599,
"volume_molar": 10.282997375432268,
"formula_full": "Rb2 Mg1 F4",
"formula_reduced": "Rb2MgF4",
"formula_anonymous": "AB2C4",
"energy": -34.61973396,
"energy_per_atom": -4.94567628,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77173396,
"band_gap": 6.2257,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:38.963000Z",
"spacegroup": 139
},
{
"id": "mp-865758",
"created_at": "2022-09-04T14:46:18.942640Z",
"structure_string": "Yb1 Ge1 O3\n1.0\n3.735829 0.000000 0.000000\n0.000000 3.735829 0.000000\n0.000000 0.000000 3.735829\nYb Ge O\n1 1 3\ndirect\n0.000000 0.000000 0.000000 Yb\n0.500000 0.500000 0.500000 Ge\n0.500000 0.500000 0.000000 O\n0.500000 0.000000 0.500000 O\n0.000000 0.500000 0.500000 O\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Yb",
"Ge",
"O"
],
"chemical_system": "Ge-O-Yb",
"density": 9.35319179310382,
"density_atomic": 0.0958978867903936,
"volume": 52.138792285680125,
"volume_molar": 6.279742924015358,
"formula_full": "Yb1 Ge1 O3",
"formula_reduced": "YbGeO3",
"formula_anonymous": "ABC3",
"energy": -34.83263374,
"energy_per_atom": -6.966526748,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.77163374,
"band_gap": 1.0156999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2.6e-06,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:28.045000Z",
"spacegroup": 221
}
]
}