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=-decomposes_to&page=12178",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-decomposes_to&page=12176",
"results": [
{
"id": "mp-1097478",
"created_at": "2022-09-04T14:39:08.964033Z",
"structure_string": "Ba2 Cd1 Hg1\n1.0\n-6.908156 7.372628 9.830375\n6.908156 -7.372628 9.830375\n6.908156 7.372628 -9.830375\nBa Cd Hg\n2 1 1\ndirect\n0.748705 0.000000 0.748705 Ba\n0.251295 0.000000 0.251295 Ba\n0.000000 0.000000 0.000000 Cd\n0.500000 0.000000 0.500000 Hg\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Ba",
"Cd",
"Hg"
],
"chemical_system": "Ba-Cd-Hg",
"density": 0.48725577939326753,
"density_atomic": 0.0019973099118658424,
"volume": 2002.6937112945527,
"volume_molar": 301.512585714565,
"formula_full": "Ba2 Cd1 Hg1",
"formula_reduced": "Ba2CdHg",
"formula_anonymous": "ABC2",
"energy": -1.35105391,
"energy_per_atom": -0.3377634775,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -1.35105391,
"band_gap": 0.0559999999999998,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 9.83e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:36.268000Z",
"spacegroup": 71
},
{
"id": "mp-1216419",
"created_at": "2022-09-04T14:39:09.349318Z",
"structure_string": "Yb16 Sb8 S45\n1.0\n12.377764 5.609533 0.000000\n-12.377764 5.609533 0.000000\n0.000000 5.501718 13.099478\nYb Sb S\n16 8 45\ndirect\n0.503337 0.659308 0.839557 Yb\n0.005506 0.164114 0.830694 Yb\n0.835886 0.994494 0.169306 Yb\n0.340692 0.496663 0.160443 Yb\n0.908552 0.252404 0.339291 Yb\n0.407211 0.751323 0.339357 Yb\n0.248677 0.592789 0.660643 Yb\n0.747596 0.091448 0.660709 Yb\n0.994494 0.835886 0.169306 Yb\n0.496663 0.340692 0.160443 Yb\n0.659308 0.503337 0.839557 Yb\n0.164114 0.005506 0.830694 Yb\n0.592789 0.248677 0.660643 Yb\n0.091448 0.747596 0.660709 Yb\n0.252404 0.908552 0.339291 Yb\n0.751323 0.407211 0.339357 Yb\n0.811994 0.312160 0.814735 Sb\n0.312160 0.811994 0.814735 Sb\n0.188006 0.687840 0.185265 Sb\n0.687840 0.188006 0.185265 Sb\n0.125685 0.125685 0.315612 Sb\n0.623670 0.623670 0.315890 Sb\n0.376330 0.376330 0.684110 Sb\n0.874315 0.874315 0.684388 Sb\n0.951845 0.225096 0.001221 S\n0.440012 0.734243 0.003083 S\n0.265757 0.559988 0.996917 S\n0.774904 0.048155 0.998779 S\n0.807529 0.013065 0.502237 S\n0.307581 0.512759 0.502449 S\n0.487241 0.692419 0.497551 S\n0.986935 0.192471 0.497763 S\n0.559988 0.265757 0.996917 S\n0.048155 0.774904 0.998779 S\n0.225096 0.951845 0.001221 S\n0.734243 0.440012 0.003083 S\n0.692419 0.487241 0.497551 S\n0.192471 0.986935 0.497763 S\n0.013065 0.807529 0.502237 S\n0.512759 0.307581 0.502449 S\n0.818476 0.475479 0.704450 S\n0.320296 0.976080 0.702246 S\n0.023920 0.679704 0.297754 S\n0.524521 0.181524 0.295550 S\n0.226630 0.069926 0.205323 S\n0.725731 0.569254 0.205569 S\n0.430746 0.274269 0.794431 S\n0.930074 0.773370 0.794677 S\n0.679704 0.023920 0.297754 S\n0.181524 0.524521 0.295550 S\n0.475479 0.818476 0.704450 S\n0.976080 0.320296 0.702246 S\n0.274269 0.430746 0.794431 S\n0.773370 0.930074 0.794677 S\n0.069926 0.226630 0.205323 S\n0.569254 0.725731 0.205569 S\n0.594563 0.094177 0.815106 S\n0.094177 0.594563 0.815106 S\n0.405437 0.905823 0.184894 S\n0.905823 0.405437 0.184894 S\n0.841911 0.841911 0.316751 S\n0.343337 0.343337 0.314803 S\n0.656663 0.656663 0.685197 S\n0.158089 0.158089 0.683249 S\n0.909270 0.909270 0.002474 S\n0.090730 0.090730 0.997526 S\n0.500000 0.500000 0.000000 S\n0.749995 0.250005 0.500000 S\n0.250005 0.749995 0.500000 S\n",
"nsites": 69,
"nelements": 3,
"elements": [
"Yb",
"Sb",
"S"
],
"chemical_system": "S-Sb-Yb",
"density": 4.733681015576521,
"density_atomic": 0.037931166605174725,
"volume": 1819.084572805803,
"volume_molar": 15.876497611276834,
"formula_full": "Yb16 Sb8 S45",
"formula_reduced": "Yb16Sb8S45",
"formula_anonymous": "A8B16C45",
"energy": -329.31726687,
"energy_per_atom": -4.772714012608696,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -306.68226687,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.2541166,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.106000Z",
"spacegroup": 12
},
{
"id": "mp-697111",
"created_at": "2022-09-04T14:39:09.362544Z",
"structure_string": "H8 O4\n1.0\n2.226191 -3.853785 0.000000\n2.226191 3.853785 0.000000\n0.000000 0.000000 7.278858\nH O\n8 4\ndirect\n0.662684 0.337316 0.697125 H\n0.337316 0.662684 0.197125 H\n0.540224 0.459776 0.519583 H\n0.459776 0.540224 0.019583 H\n0.448255 0.909170 0.483226 H\n0.090830 0.551745 0.483226 H\n0.551745 0.090830 0.983226 H\n0.909170 0.448255 0.983226 H\n0.664609 0.335391 0.560249 O\n0.335391 0.664609 0.060249 O\n0.333444 0.666556 0.434591 O\n0.666556 0.333444 0.934591 O\n",
"nsites": 12,
"nelements": 2,
"elements": [
"H",
"O"
],
"chemical_system": "H-O",
"density": 0.9580914354088237,
"density_atomic": 0.09608112924655554,
"volume": 124.89445215830656,
"volume_molar": 6.267766425336733,
"formula_full": "H8 O4",
"formula_reduced": "H2O",
"formula_anonymous": "AB2",
"energy": -62.31321145,
"energy_per_atom": -5.192767620833333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -59.56521144999999,
"band_gap": 5.520200000000001,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.00074,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:33.287000Z",
"spacegroup": 36
},
{
"id": "mp-865887",
"created_at": "2022-09-04T14:39:09.716852Z",
"structure_string": "Tm1 Cd1 Au2\n1.0\n0.000000 3.468020 3.468020\n3.468020 0.000000 3.468020\n3.468020 3.468020 0.000000\nTm Cd Au\n1 1 2\ndirect\n0.500000 0.500000 0.500000 Tm\n0.000000 0.000000 0.000000 Cd\n0.250000 0.250000 0.250000 Au\n0.750000 0.750000 0.750000 Au\n",
"nsites": 4,
"nelements": 3,
"elements": [
"Tm",
"Cd",
"Au"
],
"chemical_system": "Au-Cd-Tm",
"density": 13.44179124731969,
"density_atomic": 0.04794962505498202,
"volume": 83.42088171520322,
"volume_molar": 12.559307300306601,
"formula_full": "Tm1 Cd1 Au2",
"formula_reduced": "TmCdAu2",
"formula_anonymous": "ABC2",
"energy": -14.63302477,
"energy_per_atom": -3.6582561925,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -14.63302477,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0017733,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:27.092000Z",
"spacegroup": 225
},
{
"id": "mp-21275",
"created_at": "2022-09-04T14:39:08.950141Z",
"structure_string": "Ni4 Sb8 O16\n1.0\n6.056630 0.000000 0.000000\n0.000000 8.477577 0.000000\n0.000000 0.000000 8.477577\nNi Sb O\n4 8 16\ndirect\n0.750000 0.500000 0.000000 Ni\n0.250000 0.500000 0.000000 Ni\n0.250000 0.000000 0.500000 Ni\n0.750000 0.000000 0.500000 Ni\n0.000000 0.827864 0.835148 Sb\n0.500000 0.164852 0.827864 Sb\n0.500000 0.835148 0.172136 Sb\n0.000000 0.172136 0.164852 Sb\n0.000000 0.672136 0.335148 Sb\n0.000000 0.327864 0.664852 Sb\n0.500000 0.664852 0.672136 Sb\n0.500000 0.335148 0.327864 Sb\n0.500000 0.862752 0.402553 O\n0.500000 0.137248 0.597447 O\n0.000000 0.402553 0.137248 O\n0.000000 0.597447 0.862752 O\n0.000000 0.902553 0.362752 O\n0.500000 0.637248 0.902553 O\n0.500000 0.362752 0.097447 O\n0.000000 0.097447 0.637248 O\n0.750000 0.676500 0.176500 O\n0.250000 0.823500 0.676500 O\n0.250000 0.176500 0.323500 O\n0.750000 0.323500 0.823500 O\n0.250000 0.676500 0.176500 O\n0.750000 0.823500 0.676500 O\n0.750000 0.176500 0.323500 O\n0.250000 0.323500 0.823500 O\n",
"nsites": 28,
"nelements": 3,
"elements": [
"Ni",
"Sb",
"O"
],
"chemical_system": "Ni-O-Sb",
"density": 5.588122841463149,
"density_atomic": 0.06432554904949407,
"volume": 435.2858298722943,
"volume_molar": 9.361973351158461,
"formula_full": "Ni4 Sb8 O16",
"formula_reduced": "Ni(SbO2)2",
"formula_anonymous": "AB2C4",
"energy": -180.76743097,
"energy_per_atom": -6.455979677499999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -159.61143097,
"band_gap": 1.7233,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:41.189000Z",
"spacegroup": 135
},
{
"id": "mp-1233935",
"created_at": "2022-09-04T14:39:08.962513Z",
"structure_string": "Ca1 In4 Ge4 O14\n1.0\n-5.272461 -5.272461 -0.228423\n-5.272461 -0.228423 -5.272461\n-0.228423 -5.272461 -5.272461\nCa In Ge O\n1 4 4 14\ndirect\n0.737591 0.737591 0.737591 Ca\n0.460783 0.460783 0.006452 In\n0.460783 0.006452 0.460783 In\n0.006452 0.460783 0.460783 In\n0.491805 0.491805 0.491805 In\n0.006829 0.006829 0.500238 Ge\n0.006829 0.500238 0.006829 Ge\n0.500238 0.006829 0.006829 Ge\n0.012262 0.012262 0.012262 Ge\n0.374111 0.374111 0.374111 O\n0.615348 0.615348 0.615348 O\n0.340420 0.927119 0.927119 O\n0.927155 0.322858 0.322858 O\n0.927119 0.340420 0.927119 O\n0.322858 0.927155 0.322858 O\n0.927119 0.927119 0.340420 O\n0.322858 0.322858 0.927155 O\n0.670696 0.082494 0.082494 O\n0.089388 0.687554 0.687554 O\n0.082494 0.670696 0.082494 O\n0.687554 0.089388 0.687554 O\n0.082494 0.082494 0.670696 O\n0.687554 0.687554 0.089388 O\n",
"nsites": 23,
"nelements": 4,
"elements": [
"Ca",
"In",
"Ge",
"O"
],
"chemical_system": "Ca-Ge-In-O",
"density": 6.142393549655608,
"density_atomic": 0.08391132306713783,
"volume": 274.0988839086424,
"volume_molar": 7.176791569811928,
"formula_full": "Ca1 In4 Ge4 O14",
"formula_reduced": "CaIn4(Ge2O7)2",
"formula_anonymous": "AB4C4D14",
"energy": -144.10074803999998,
"energy_per_atom": -6.265249914782608,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -134.48274804,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:31.953000Z",
"spacegroup": 160
},
{
"id": "mp-772861",
"created_at": "2022-09-04T14:39:09.355220Z",
"structure_string": "Ba4 Sr8 I24\n1.0\n8.170479 0.000000 0.000000\n0.000000 8.170479 0.000000\n0.000000 0.000000 24.566283\nBa Sr I\n4 8 24\ndirect\n0.000000 0.000000 0.000000 Ba\n0.000000 0.500000 0.500000 Ba\n0.500000 0.000000 0.500000 Ba\n0.500000 0.500000 0.000000 Ba\n0.000000 0.500000 0.168002 Sr\n0.000000 0.000000 0.331282 Sr\n0.000000 0.000000 0.668718 Sr\n0.000000 0.500000 0.831998 Sr\n0.500000 0.500000 0.331282 Sr\n0.500000 0.000000 0.168002 Sr\n0.500000 0.000000 0.831998 Sr\n0.500000 0.500000 0.668718 Sr\n0.233591 0.758259 0.586710 I\n0.234625 0.743510 0.086760 I\n0.256490 0.234625 0.913240 I\n0.258259 0.733591 0.413290 I\n0.235218 0.265332 0.250452 I\n0.234668 0.264782 0.749548 I\n0.265332 0.764782 0.749548 I\n0.264782 0.765332 0.250452 I\n0.243510 0.734625 0.913240 I\n0.241741 0.233591 0.413290 I\n0.265375 0.243510 0.086760 I\n0.266409 0.258259 0.586710 I\n0.733591 0.741741 0.586710 I\n0.734625 0.756490 0.086760 I\n0.756490 0.265375 0.913240 I\n0.758259 0.766409 0.413290 I\n0.735218 0.234668 0.250452 I\n0.734668 0.235218 0.749548 I\n0.765332 0.735218 0.749548 I\n0.764782 0.734668 0.250452 I\n0.741741 0.266409 0.413290 I\n0.743510 0.765375 0.913240 I\n0.765375 0.256490 0.086760 I\n0.766409 0.241741 0.586710 I\n",
"nsites": 36,
"nelements": 3,
"elements": [
"Ba",
"Sr",
"I"
],
"chemical_system": "Ba-I-Sr",
"density": 4.349871067229659,
"density_atomic": 0.02195169268048949,
"volume": 1639.964649832974,
"volume_molar": 27.43360545199522,
"formula_full": "Ba4 Sr8 I24",
"formula_reduced": "BaSr2I6",
"formula_anonymous": "AB2C6",
"energy": -128.29796464999998,
"energy_per_atom": -3.5638323513888883,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -119.20196465,
"band_gap": 3.2767,
"is_gap_direct": true,
"is_magnetic": false,
"total_magnetization": 0.006763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:42.124000Z",
"spacegroup": 117
},
{
"id": "mp-770343",
"created_at": "2022-09-04T14:39:09.365400Z",
"structure_string": "Li12 V4 B8 O24\n1.0\n8.764634 0.000000 0.000000\n0.000000 5.971310 0.000000\n0.000000 5.898274 8.608265\nLi V B O\n12 4 8 24\ndirect\n0.241542 0.837144 0.152961 Li\n0.770407 0.627256 0.396933 Li\n0.417391 0.881522 0.401993 Li\n0.917391 0.118478 0.098007 Li\n0.270407 0.372744 0.103067 Li\n0.741542 0.162856 0.347039 Li\n0.258458 0.837144 0.652961 Li\n0.729593 0.627256 0.896933 Li\n0.082609 0.881522 0.901993 Li\n0.582609 0.118478 0.598007 Li\n0.229593 0.372744 0.603067 Li\n0.758458 0.162856 0.847039 Li\n0.401062 0.292422 0.868977 V\n0.901062 0.707578 0.631023 V\n0.098938 0.292422 0.368977 V\n0.598938 0.707578 0.131023 V\n0.106297 0.854707 0.364021 B\n0.565161 0.613377 0.636501 B\n0.065161 0.386623 0.863499 B\n0.606297 0.145293 0.135979 B\n0.393703 0.854707 0.864021 B\n0.934839 0.613377 0.136501 B\n0.434839 0.386623 0.363499 B\n0.893703 0.145293 0.635979 B\n0.140309 0.624504 0.373117 O\n0.466873 0.072715 0.103178 O\n0.718044 0.949425 0.183641 O\n0.411998 0.574039 0.617335 O\n0.155308 0.200348 0.986134 O\n0.612269 0.454496 0.791181 O\n0.112269 0.545504 0.708819 O\n0.655308 0.799652 0.513866 O\n0.218044 0.050575 0.316359 O\n0.911998 0.425961 0.882665 O\n0.966873 0.927285 0.396822 O\n0.640309 0.375496 0.126883 O\n0.359691 0.624504 0.873117 O\n0.033127 0.072715 0.603178 O\n0.088002 0.574039 0.117335 O\n0.781956 0.949425 0.683641 O\n0.344692 0.200348 0.486134 O\n0.887731 0.454496 0.291181 O\n0.387731 0.545504 0.208819 O\n0.844692 0.799652 0.013866 O\n0.588002 0.425961 0.382665 O\n0.281956 0.050575 0.816359 O\n0.533127 0.927285 0.896822 O\n0.859691 0.375496 0.626883 O\n",
"nsites": 48,
"nelements": 4,
"elements": [
"Li",
"V",
"B",
"O"
],
"chemical_system": "B-Li-O-V",
"density": 2.792099044491731,
"density_atomic": 0.10654233387027916,
"volume": 450.52514109971065,
"volume_molar": 5.652345449211081,
"formula_full": "Li12 V4 B8 O24",
"formula_reduced": "Li3V(BO3)2",
"formula_anonymous": "AB2C3D6",
"energy": -355.1924821,
"energy_per_atom": -7.399843377083333,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -331.9044821,
"band_gap": 2.4333,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 8.0855155,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:29.981000Z",
"spacegroup": 14
},
{
"id": "mp-1020587",
"created_at": "2022-09-04T14:39:09.366210Z",
"structure_string": "Sr8 Mg24 Si8 N32\n1.0\n-5.816198 5.816198 6.807923\n5.816198 -5.816198 6.807923\n5.816198 5.816198 -6.807923\nSr Mg Si N\n8 24 8 32\ndirect\n0.562455 0.044699 0.998248 Sr\n0.046451 0.564207 0.001752 Sr\n0.314207 0.812455 0.017756 Sr\n0.794699 0.296451 0.982244 Sr\n0.187545 0.205301 0.501752 Sr\n0.703549 0.685793 0.498248 Sr\n0.435793 0.437545 0.482244 Sr\n0.955301 0.953549 0.517756 Sr\n0.838621 0.159035 0.371926 Mg\n0.787109 0.466695 0.628074 Mg\n0.216695 0.088621 0.179586 Mg\n0.909035 0.037109 0.820414 Mg\n0.911379 0.090965 0.128074 Mg\n0.962891 0.783305 0.871926 Mg\n0.533305 0.161379 0.320414 Mg\n0.840965 0.212891 0.679586 Mg\n0.587568 0.951505 0.648231 Mg\n0.303274 0.939338 0.351769 Mg\n0.689338 0.837568 0.136064 Mg\n0.701505 0.553274 0.863936 Mg\n0.162432 0.298495 0.851769 Mg\n0.446726 0.310662 0.148231 Mg\n0.060662 0.412432 0.363936 Mg\n0.048495 0.696726 0.636064 Mg\n0.292540 0.974310 0.637121 Mg\n0.337189 0.655420 0.362879 Mg\n0.405420 0.542540 0.818231 Mg\n0.724310 0.587189 0.181769 Mg\n0.457460 0.275690 0.862879 Mg\n0.412811 0.594580 0.137121 Mg\n0.344580 0.707460 0.681769 Mg\n0.025690 0.662811 0.318231 Mg\n0.755500 0.397349 0.288705 Si\n0.108645 0.466796 0.711295 Si\n0.216796 0.005500 0.858151 Si\n0.147349 0.358645 0.141849 Si\n0.994500 0.852651 0.211295 Si\n0.641355 0.783204 0.788705 Si\n0.533204 0.244500 0.641849 Si\n0.602651 0.891355 0.358151 Si\n0.615287 0.359773 0.096126 N\n0.263646 0.519161 0.903874 N\n0.269161 0.865287 0.755515 N\n0.109773 0.513646 0.244485 N\n0.134713 0.890227 0.403874 N\n0.486354 0.730839 0.596126 N\n0.480839 0.384713 0.744485 N\n0.640227 0.736354 0.255515 N\n0.752072 0.978251 0.880960 N\n0.097292 0.871112 0.119040 N\n0.621112 0.002072 0.273820 N\n0.728251 0.347292 0.726180 N\n0.997928 0.271749 0.619040 N\n0.652708 0.378888 0.380960 N\n0.128888 0.247928 0.226180 N\n0.021749 0.902708 0.773820 N\n0.833700 0.264423 0.243490 N\n0.020933 0.590210 0.756510 N\n0.340210 0.083700 0.069277 N\n0.014423 0.270933 0.930723 N\n0.916300 0.985577 0.256510 N\n0.729067 0.659790 0.743490 N\n0.409790 0.166300 0.430723 N\n0.735577 0.979067 0.569277 N\n0.503683 0.113377 0.701799 N\n0.411579 0.801884 0.298201 N\n0.551884 0.753683 0.890306 N\n0.863377 0.661579 0.109694 N\n0.246317 0.136622 0.798201 N\n0.338421 0.448116 0.201799 N\n0.198116 0.496317 0.609694 N\n0.886622 0.588421 0.390306 N\n",
"nsites": 72,
"nelements": 4,
"elements": [
"Sr",
"Mg",
"Si",
"N"
],
"chemical_system": "Mg-N-Si-Sr",
"density": 3.5279832920067244,
"density_atomic": 0.07815909185043676,
"volume": 921.1980115861294,
"volume_molar": 7.704977907783031,
"formula_full": "Sr8 Mg24 Si8 N32",
"formula_reduced": "SrMg3SiN4",
"formula_anonymous": "ABC3D4",
"energy": -444.54142179,
"energy_per_atom": -6.17418641375,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -432.98942179,
"band_gap": 2.4133,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0063784,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:23.597000Z",
"spacegroup": 88
},
{
"id": "mp-1209722",
"created_at": "2022-09-04T14:39:09.395571Z",
"structure_string": "Sm10 Cu2 Pb6\n1.0\n4.777855 -8.275487 0.000000\n4.777855 8.275487 0.000000\n0.000000 0.000000 6.920722\nSm Cu Pb\n10 2 6\ndirect\n0.333333 0.666667 0.000000 Sm\n0.666667 0.333333 0.000000 Sm\n0.666667 0.333333 0.500000 Sm\n0.333333 0.666667 0.500000 Sm\n0.253004 0.000000 0.250000 Sm\n0.746996 0.000000 0.750000 Sm\n0.000000 0.253004 0.250000 Sm\n0.000000 0.746996 0.750000 Sm\n0.746996 0.746996 0.250000 Sm\n0.253004 0.253004 0.750000 Sm\n0.000000 0.000000 0.000000 Cu\n0.000000 0.000000 0.500000 Cu\n0.611819 0.000000 0.250000 Pb\n0.388181 0.000000 0.750000 Pb\n0.000000 0.611819 0.250000 Pb\n0.000000 0.388181 0.750000 Pb\n0.388181 0.388181 0.250000 Pb\n0.611819 0.611819 0.750000 Pb\n",
"nsites": 18,
"nelements": 3,
"elements": [
"Sm",
"Cu",
"Pb"
],
"chemical_system": "Cu-Pb-Sm",
"density": 8.719902212480694,
"density_atomic": 0.032890053418588604,
"volume": 547.2779192820303,
"volume_molar": 18.309914804201696,
"formula_full": "Sm10 Cu2 Pb6",
"formula_reduced": "Sm5CuPb3",
"formula_anonymous": "AB3C5",
"energy": -86.52007059,
"energy_per_atom": -4.806670588333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -86.52007059,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0010405,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.005000Z",
"spacegroup": 193
},
{
"id": "mp-759589",
"created_at": "2022-09-04T14:39:09.553295Z",
"structure_string": "Li8 Ti4 Mn10 O24\n1.0\n9.073051 0.000000 0.000000\n0.000000 5.294156 0.000000\n0.000000 1.574474 9.941233\nLi Ti Mn O\n8 4 10 24\ndirect\n0.907359 0.007214 0.741687 Li\n0.910975 0.492213 0.259146 Li\n0.585479 0.752645 0.501782 Li\n0.589679 0.501741 0.259355 Li\n0.407359 0.992786 0.258313 Li\n0.410975 0.507787 0.740854 Li\n0.085479 0.247355 0.498218 Li\n0.089679 0.498259 0.740645 Li\n0.757257 0.241295 0.504838 Ti\n0.753276 0.758330 0.993399 Ti\n0.253276 0.241670 0.006601 Ti\n0.257257 0.758705 0.495162 Ti\n0.921778 0.250079 0.005188 Mn\n0.926403 0.750674 0.494694 Mn\n0.746991 0.989858 0.256678 Mn\n0.579953 0.245852 0.998410 Mn\n0.737504 0.517726 0.739576 Mn\n0.426403 0.249326 0.505306 Mn\n0.421778 0.749921 0.994812 Mn\n0.246991 0.010142 0.743322 Mn\n0.237504 0.482274 0.260424 Mn\n0.079953 0.754148 0.001590 Mn\n0.895202 0.142654 0.381105 O\n0.897445 0.854366 0.116767 O\n0.769484 0.887341 0.604663 O\n0.760392 0.102867 0.892977 O\n0.900073 0.635464 0.878337 O\n0.898036 0.363888 0.624655 O\n0.588187 0.143164 0.386543 O\n0.762445 0.614873 0.386653 O\n0.590228 0.857370 0.117019 O\n0.752584 0.387958 0.113581 O\n0.590359 0.625709 0.885822 O\n0.587955 0.379195 0.607799 O\n0.397445 0.145634 0.883233 O\n0.395202 0.857346 0.618895 O\n0.269484 0.112659 0.395337 O\n0.398036 0.636112 0.375345 O\n0.260392 0.897133 0.107023 O\n0.400073 0.364536 0.121663 O\n0.090228 0.142630 0.882981 O\n0.262445 0.385127 0.613347 O\n0.088187 0.856836 0.613457 O\n0.252584 0.612042 0.886419 O\n0.087955 0.620805 0.392201 O\n0.090359 0.374291 0.114178 O\n",
"nsites": 46,
"nelements": 4,
"elements": [
"Li",
"Ti",
"Mn",
"O"
],
"chemical_system": "Li-Mn-O-Ti",
"density": 4.104629823350617,
"density_atomic": 0.09633131583083895,
"volume": 477.51865115989443,
"volume_molar": 6.251488114804828,
"formula_full": "Li8 Ti4 Mn10 O24",
"formula_reduced": "Li4Ti2Mn5O12",
"formula_anonymous": "A2B4C5D12",
"energy": -370.47200682,
"energy_per_atom": -8.053739278695652,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -337.30400682,
"band_gap": 0.4115999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 46.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:33.204000Z",
"spacegroup": 4
},
{
"id": "mp-9289",
"created_at": "2022-09-04T14:39:09.575882Z",
"structure_string": "Zr2 Sn2 Te2\n1.0\n4.109961 0.000000 0.000000\n0.000000 4.109961 0.000000\n0.000000 0.000000 8.807039\nZr Sn Te\n2 2 2\ndirect\n0.500000 0.000000 0.263928 Zr\n0.000000 0.500000 0.736072 Zr\n0.000000 0.000000 0.000000 Sn\n0.500000 0.500000 0.000000 Sn\n0.500000 0.000000 0.619150 Te\n0.000000 0.500000 0.380850 Te\n",
"nsites": 6,
"nelements": 3,
"elements": [
"Zr",
"Sn",
"Te"
],
"chemical_system": "Sn-Te-Zr",
"density": 7.535139520070547,
"density_atomic": 0.04033164438407855,
"volume": 148.7665601447329,
"volume_molar": 14.931552759543123,
"formula_full": "Zr2 Sn2 Te2",
"formula_reduced": "ZrSnTe",
"formula_anonymous": "ABC",
"energy": -36.32707889,
"energy_per_atom": -6.054513148333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -35.48307889,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 2e-07,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:36.586000Z",
"spacegroup": 129
}
]
}