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=-structure_string&page=10252",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-structure_string&page=10250",
"results": [
{
"id": "mp-1184465",
"created_at": "2022-09-04T14:40:40.685768Z",
"structure_string": "Co2 Pb6\n1.0\n8.589771 0.059744 -0.001324\n-4.242867 7.265750 0.004511\n0.001858 -0.001037 3.551676\nCo Pb\n2 6\ndirect\n0.334779 0.666748 0.749595 Co\n0.665037 0.333109 0.250409 Co\n0.192266 0.385903 0.249558 Pb\n0.607375 0.803315 0.249586 Pb\n0.193419 0.803921 0.249750 Pb\n0.807047 0.612489 0.750228 Pb\n0.394046 0.197505 0.750366 Pb\n0.806028 0.197005 0.750499 Pb\n",
"nsites": 8,
"nelements": 2,
"elements": [
"Co",
"Pb"
],
"chemical_system": "Co-Pb",
"density": 10.154828458240738,
"density_atomic": 0.0359446427240411,
"volume": 222.5644600620639,
"volume_molar": 16.753931333339338,
"formula_full": "Co2 Pb6",
"formula_reduced": "CoPb3",
"formula_anonymous": "AB3",
"energy": -33.59405873,
"energy_per_atom": -4.19925734125,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -33.59405873,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.3638515,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:06.454000Z",
"spacegroup": 63
},
{
"id": "mp-20069",
"created_at": "2022-09-04T14:39:43.663885Z",
"structure_string": "Co2 Pb4 W2 O12\n1.0\n4.951015 0.000206 2.875334\n-3.290010 4.646042 5.664616\n-1.686643 -4.703784 2.903889\nCo Pb W O\n2 4 2 12\ndirect\n0.500003 0.000003 0.500006 Co\n0.999997 0.500004 0.000004 Co\n0.499993 0.250084 0.990309 Pb\n0.999987 0.750851 0.490187 Pb\n0.999998 0.249149 0.509847 Pb\n0.500024 0.749909 0.009678 Pb\n0.999996 0.999996 0.999975 W\n0.500003 0.500016 0.499995 W\n0.499992 0.739539 0.558414 O\n0.000015 0.239441 0.058462 O\n0.999970 0.760556 0.941515 O\n0.500020 0.260457 0.441590 O\n0.759085 0.033258 0.762439 O\n0.259007 0.533337 0.262473 O\n0.259014 0.466642 0.737501 O\n0.759098 0.966737 0.237566 O\n0.741007 0.466664 0.737530 O\n0.240911 0.966748 0.237569 O\n0.240894 0.033245 0.762433 O\n0.740986 0.533364 0.262508 O\n",
"nsites": 20,
"nelements": 4,
"elements": [
"Co",
"Pb",
"W",
"O"
],
"chemical_system": "Co-O-Pb-W",
"density": 9.412486945075425,
"density_atomic": 0.07525970469439244,
"volume": 265.7464586290117,
"volume_molar": 8.001812901677125,
"formula_full": "Co2 Pb4 W2 O12",
"formula_reduced": "CoPb2WO6",
"formula_anonymous": "ABC2D6",
"energy": -149.45163209999998,
"energy_per_atom": -7.472581604999999,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -129.0556321,
"band_gap": 1.87,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.0004117,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:31.331000Z",
"spacegroup": 12
},
{
"id": "mp-1247409",
"created_at": "2022-09-04T14:43:41.346160Z",
"structure_string": "Co2 Pb1 N2\n1.0\n3.262136 -0.000005 -0.000013\n-1.631072 2.825099 0.000000\n0.000025 0.000015 7.080058\nCo Pb N\n2 1 2\ndirect\n0.666668 0.333334 0.114098 Co\n0.333332 0.666666 0.885902 Co\n0.000000 0.000000 0.500000 Pb\n0.666668 0.333334 0.843696 N\n0.333332 0.666666 0.156304 N\n",
"nsites": 5,
"nelements": 3,
"elements": [
"Co",
"Pb",
"N"
],
"chemical_system": "Co-N-Pb",
"density": 8.985656064523504,
"density_atomic": 0.0766298258818615,
"volume": 65.24874541289431,
"volume_molar": 7.858742585797076,
"formula_full": "Co2 Pb1 N2",
"formula_reduced": "Co2PbN2",
"formula_anonymous": "AB2C2",
"energy": -33.59591011,
"energy_per_atom": -6.719182022,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -32.87391011,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 0.2890763,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:17.039000Z",
"spacegroup": 164
},
{
"id": "mp-26432",
"created_at": "2022-09-04T14:40:21.494490Z",
"structure_string": "Co2 P8 O24\n1.0\n6.853358 4.828586 0.000000\n-6.853358 4.828586 0.000000\n0.000000 1.606553 7.498748\nCo P O\n2 8 24\ndirect\n0.131743 0.868257 0.250000 Co\n0.868257 0.131743 0.750000 Co\n0.563946 0.242314 0.627443 P\n0.798432 0.952767 0.164902 P\n0.201568 0.047233 0.835098 P\n0.047233 0.201568 0.335098 P\n0.436054 0.757686 0.372557 P\n0.952767 0.798432 0.664902 P\n0.757686 0.436054 0.872557 P\n0.242314 0.563946 0.127443 P\n0.667020 0.390707 0.061878 O\n0.332980 0.609293 0.938122 O\n0.122748 0.877252 0.750000 O\n0.609293 0.332980 0.438122 O\n0.001671 0.264764 0.502196 O\n0.079442 0.144718 0.842340 O\n0.890886 0.357358 0.818209 O\n0.264764 0.001671 0.002196 O\n0.391056 0.608944 0.250000 O\n0.842296 0.639829 0.819429 O\n0.608944 0.391056 0.750000 O\n0.877252 0.122748 0.250000 O\n0.735236 0.998329 0.997804 O\n0.998329 0.735236 0.497804 O\n0.144718 0.079442 0.342340 O\n0.920558 0.855282 0.157660 O\n0.109114 0.642642 0.181791 O\n0.855282 0.920558 0.657660 O\n0.357358 0.890886 0.318209 O\n0.360171 0.157704 0.680571 O\n0.642642 0.109114 0.681791 O\n0.157704 0.360171 0.180571 O\n0.639829 0.842296 0.319429 O\n0.390707 0.667020 0.561878 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.508192781335402,
"density_atomic": 0.06850728756705327,
"volume": 496.2975649374766,
"volume_molar": 8.790511161466837,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -251.74032017,
"energy_per_atom": -7.4041270638235295,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.97632017,
"band_gap": 0.2670999999999999,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 6.0027996,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:55.102000Z",
"spacegroup": 15
},
{
"id": "mp-26724",
"created_at": "2022-09-04T14:39:24.442367Z",
"structure_string": "Co2 P8 O24\n1.0\n6.154683 8.515247 0.000000\n-6.154683 8.515247 0.000000\n0.000000 0.714916 5.081094\nCo P O\n2 8 24\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.000000 Co\n0.788221 0.361535 0.818186 P\n0.941988 0.698859 0.465828 P\n0.058012 0.301141 0.534172 P\n0.361535 0.788221 0.818186 P\n0.698859 0.941988 0.465828 P\n0.638465 0.211779 0.181814 P\n0.301141 0.058012 0.534172 P\n0.211779 0.638465 0.181814 P\n0.434324 0.669833 0.663490 O\n0.398895 0.084082 0.701797 O\n0.565676 0.330167 0.336510 O\n0.914358 0.280918 0.627159 O\n0.165665 0.553985 0.015035 O\n0.915918 0.601105 0.298203 O\n0.719082 0.085642 0.372841 O\n0.330517 0.072700 0.242344 O\n0.669483 0.927300 0.757656 O\n0.848132 0.848132 0.386846 O\n0.084082 0.398895 0.701797 O\n0.330167 0.565676 0.336510 O\n0.232524 0.767476 0.000000 O\n0.085642 0.719082 0.372841 O\n0.446015 0.834335 0.984965 O\n0.669833 0.434324 0.663490 O\n0.767476 0.232524 0.000000 O\n0.553985 0.165665 0.015035 O\n0.927300 0.669483 0.757656 O\n0.072700 0.330517 0.242344 O\n0.601105 0.915918 0.298203 O\n0.151868 0.151868 0.613154 O\n0.280918 0.914358 0.627159 O\n0.834335 0.446015 0.984965 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.337291575015492,
"density_atomic": 0.06383939354629109,
"volume": 532.5865129866246,
"volume_molar": 9.433267494361829,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -251.74581156,
"energy_per_atom": -7.404288575294117,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.98181156,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000003,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:41.568000Z",
"spacegroup": 12
},
{
"id": "mp-504346",
"created_at": "2022-09-04T14:46:53.350952Z",
"structure_string": "Co2 P8 O24\n1.0\n5.753772 4.096968 0.000000\n-5.753772 4.096968 0.000000\n0.000000 0.543396 9.458623\nCo P O\n2 8 24\ndirect\n0.887826 0.112174 0.750000 Co\n0.112174 0.887826 0.250000 Co\n0.793965 0.726481 0.529834 P\n0.726481 0.793965 0.029834 P\n0.718247 0.370276 0.964330 P\n0.629724 0.281753 0.535670 P\n0.370276 0.718247 0.464330 P\n0.281753 0.629724 0.035670 P\n0.273519 0.206035 0.970166 P\n0.206035 0.273519 0.470166 P\n0.932897 0.721651 0.407307 O\n0.873523 0.862197 0.647509 O\n0.775942 0.608005 0.963825 O\n0.862197 0.873523 0.147509 O\n0.694202 0.502934 0.599941 O\n0.865420 0.338703 0.853591 O\n0.721651 0.932897 0.907307 O\n0.608005 0.775942 0.463825 O\n0.728938 0.279091 0.394904 O\n0.720909 0.271062 0.105096 O\n0.661297 0.134580 0.646409 O\n0.502934 0.694202 0.099941 O\n0.497066 0.305798 0.900059 O\n0.338703 0.865420 0.353591 O\n0.279091 0.728938 0.894904 O\n0.271062 0.720909 0.605096 O\n0.391995 0.224058 0.536175 O\n0.278349 0.067103 0.092693 O\n0.134580 0.661297 0.146409 O\n0.305798 0.497066 0.400059 O\n0.137803 0.126477 0.852491 O\n0.224058 0.391995 0.036175 O\n0.126477 0.137803 0.352491 O\n0.067103 0.278349 0.592693 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.7914504689194497,
"density_atomic": 0.07624401976854188,
"volume": 445.93661382513216,
"volume_molar": 7.898508995566787,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -250.32110561,
"energy_per_atom": -7.362385459117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -230.55710561,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:37.897000Z",
"spacegroup": 15
},
{
"id": "mp-584727",
"created_at": "2022-09-04T14:43:00.674395Z",
"structure_string": "Co2 P8 O24\n1.0\n4.217515 6.118913 0.000000\n-4.217515 6.118913 0.000000\n0.000000 4.166052 8.762135\nCo P O\n2 8 24\ndirect\n0.000000 0.500000 0.000000 Co\n0.500000 0.000000 0.500000 Co\n0.273324 0.731418 0.464143 P\n0.664485 0.699077 0.814331 P\n0.731418 0.273324 0.964143 P\n0.699077 0.664485 0.314331 P\n0.726676 0.268582 0.535857 P\n0.335515 0.300923 0.185669 P\n0.268582 0.726676 0.035857 P\n0.300923 0.335515 0.685669 P\n0.528809 0.207225 0.063696 O\n0.354135 0.522219 0.154701 O\n0.316622 0.150301 0.645627 O\n0.477781 0.645865 0.345299 O\n0.150301 0.316622 0.145627 O\n0.522219 0.354135 0.654701 O\n0.849699 0.683378 0.854373 O\n0.121551 0.868324 0.377334 O\n0.471191 0.792775 0.936304 O\n0.645865 0.477781 0.845299 O\n0.651546 0.812074 0.656036 O\n0.207225 0.528809 0.563696 O\n0.187926 0.348454 0.843964 O\n0.792775 0.471191 0.436304 O\n0.868324 0.121551 0.877334 O\n0.813751 0.322701 0.064707 O\n0.131676 0.878449 0.122666 O\n0.878449 0.131676 0.622666 O\n0.812074 0.651546 0.156036 O\n0.186249 0.677299 0.935293 O\n0.683378 0.849699 0.354373 O\n0.677299 0.186249 0.435293 O\n0.322701 0.813751 0.564707 O\n0.348454 0.187926 0.343964 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.75253093064031,
"density_atomic": 0.07518099462122987,
"volume": 452.2419551815687,
"volume_molar": 8.010190328473584,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -251.20913799,
"energy_per_atom": -7.388504058529412,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.44513799,
"band_gap": 0.4719,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0000002,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:08.123000Z",
"spacegroup": 15
},
{
"id": "mp-1045799",
"created_at": "2022-09-04T14:39:06.447591Z",
"structure_string": "Co2 P8 O24\n1.0\n3.962712 6.401850 0.000000\n-3.962712 6.401850 0.000000\n0.000000 4.578715 8.992891\nCo P O\n2 8 24\ndirect\n0.500000 0.000000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.755273 0.262677 0.484983 P\n0.737323 0.244727 0.015017 P\n0.689324 0.665785 0.812072 P\n0.262677 0.755273 0.984983 P\n0.244727 0.737323 0.515017 P\n0.334215 0.310676 0.687928 P\n0.665785 0.689324 0.312072 P\n0.310676 0.334215 0.187928 P\n0.678610 0.455220 0.348249 O\n0.203759 0.338515 0.345979 O\n0.796241 0.661485 0.654021 O\n0.816525 0.334260 0.575596 O\n0.334260 0.816525 0.075596 O\n0.455220 0.678610 0.848249 O\n0.312174 0.165072 0.141549 O\n0.208345 0.550454 0.078472 O\n0.550454 0.208345 0.578472 O\n0.085435 0.906504 0.915288 O\n0.321390 0.544780 0.651751 O\n0.338515 0.203759 0.845979 O\n0.834928 0.687826 0.358451 O\n0.093496 0.914565 0.584712 O\n0.906504 0.085435 0.415288 O\n0.665740 0.183475 0.924404 O\n0.661485 0.796241 0.154021 O\n0.183475 0.665740 0.424404 O\n0.914565 0.093496 0.084712 O\n0.449546 0.791655 0.421528 O\n0.791655 0.449546 0.921528 O\n0.687826 0.834928 0.858451 O\n0.544780 0.321390 0.151751 O\n0.165072 0.312174 0.641549 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.728197010233478,
"density_atomic": 0.07451635237548627,
"volume": 456.275688706215,
"volume_molar": 8.081636537514026,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -251.80115896,
"energy_per_atom": -7.40591644,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -232.03715896,
"band_gap": 0.0,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 2.0135137,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:35.443000Z",
"spacegroup": 15
},
{
"id": "mp-31572",
"created_at": "2022-09-04T14:42:01.049708Z",
"structure_string": "Co2 P8 O24\n1.0\n13.634653 0.000000 0.000000\n0.000000 5.193671 0.000000\n0.000000 0.949223 7.141478\nCo P O\n2 8 24\ndirect\n0.236338 0.484065 0.507549 Co\n0.736338 0.515935 0.492451 Co\n0.167647 0.143690 0.897700 P\n0.322715 0.786143 0.113519 P\n0.377123 0.996743 0.460490 P\n0.597926 0.023475 0.456052 P\n0.667647 0.856310 0.102300 P\n0.822715 0.213857 0.886481 P\n0.097926 0.976525 0.543948 P\n0.877123 0.003257 0.539510 P\n0.361674 0.266650 0.507382 O\n0.609798 0.292977 0.506692 O\n0.402766 0.643529 0.024675 O\n0.164498 0.186090 0.447034 O\n0.109798 0.707023 0.493308 O\n0.366051 0.999756 0.235908 O\n0.106719 0.966748 0.768095 O\n0.108465 0.184246 0.064983 O\n0.709695 0.622283 0.225004 O\n0.816335 0.221724 0.437058 O\n0.754011 0.397528 0.766595 O\n0.316335 0.778276 0.562942 O\n0.866051 0.000244 0.764092 O\n0.489121 0.916615 0.498518 O\n0.761037 0.042981 0.042959 O\n0.664498 0.813910 0.552966 O\n0.989121 0.083385 0.501482 O\n0.902766 0.356471 0.975325 O\n0.261037 0.957019 0.957041 O\n0.209695 0.377717 0.774996 O\n0.254011 0.602472 0.233405 O\n0.608465 0.815754 0.935017 O\n0.861674 0.733350 0.492618 O\n0.606719 0.033252 0.231905 O\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.461480674596765,
"density_atomic": 0.06723142083423264,
"volume": 505.7159223784842,
"volume_molar": 8.95733079157784,
"formula_full": "Co2 P8 O24",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -250.95931728,
"energy_per_atom": -7.381156390588235,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -231.19531728,
"band_gap": 0.0408999999999999,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9939821,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:33.500000Z",
"spacegroup": 4
},
{
"id": "mp-696788",
"created_at": "2022-09-04T14:40:14.684736Z",
"structure_string": "Co2 P8 H20 O32\n1.0\n0.063517 0.051036 7.220442\n8.326520 -0.098524 -1.502511\n-1.554943 10.563335 -0.485619\nCo P H O\n2 8 20 32\ndirect\n0.499999 0.500000 0.750000 Co\n0.500001 0.500001 0.250001 Co\n0.325740 0.278906 0.467222 P\n0.326221 0.278822 0.966471 P\n0.674260 0.721091 0.032777 P\n0.673779 0.721180 0.533529 P\n0.819168 0.258109 0.273058 P\n0.820112 0.258323 0.773780 P\n0.180832 0.741891 0.226941 P\n0.179887 0.741676 0.726221 P\n0.583280 0.238006 0.064893 H\n0.582572 0.238067 0.566831 H\n0.416722 0.761997 0.435108 H\n0.417429 0.761933 0.933167 H\n0.078904 0.163405 0.052016 H\n0.078799 0.163306 0.552755 H\n0.921097 0.836601 0.447986 H\n0.921200 0.836688 0.947242 H\n0.631418 0.096160 0.364058 H\n0.632029 0.095471 0.863532 H\n0.368581 0.903840 0.135940 H\n0.367968 0.904535 0.636474 H\n0.127034 0.266441 0.259670 H\n0.127773 0.268137 0.759641 H\n0.872967 0.733561 0.240331 H\n0.872224 0.731858 0.740358 H\n0.804818 0.464333 0.418683 H\n0.806372 0.464540 0.918901 H\n0.195185 0.535668 0.081316 H\n0.193626 0.535459 0.581097 H\n0.504630 0.194718 0.482262 O\n0.504840 0.194210 0.980559 O\n0.495373 0.805284 0.017736 O\n0.495160 0.805790 0.519442 O\n0.146302 0.145575 0.474097 O\n0.147052 0.145461 0.973714 O\n0.853701 0.854421 0.025902 O\n0.852947 0.854542 0.526287 O\n0.316518 0.322273 0.333204 O\n0.315213 0.323617 0.832890 O\n0.683481 0.677728 0.166797 O\n0.684786 0.676381 0.667109 O\n0.339043 0.419771 0.076113 O\n0.337432 0.420158 0.576609 O\n0.660961 0.580233 0.423887 O\n0.662563 0.579837 0.923391 O\n0.730993 0.084925 0.303053 O\n0.732570 0.084635 0.803250 O\n0.269006 0.915075 0.196944 O\n0.267424 0.915367 0.696753 O\n0.000725 0.231695 0.203651 O\n0.001103 0.232225 0.703559 O\n0.999276 0.768306 0.296349 O\n0.998895 0.767770 0.796442 O\n0.884713 0.375514 0.399565 O\n0.886242 0.375392 0.900456 O\n0.115287 0.624485 0.100435 O\n0.113758 0.624609 0.599542 O\n0.681301 0.325016 0.192222 O\n0.681002 0.325382 0.694039 O\n0.318701 0.674986 0.307778 O\n0.319000 0.674618 0.805960 O\n",
"nsites": 62,
"nelements": 4,
"elements": [
"Co",
"P",
"H",
"O"
],
"chemical_system": "Co-H-O-P",
"density": 2.346609275677127,
"density_atomic": 0.09759007849444322,
"volume": 635.310483980503,
"volume_molar": 6.170853485216637,
"formula_full": "Co2 P8 H20 O32",
"formula_reduced": "CoP4(H5O8)2",
"formula_anonymous": "AB4C10D16",
"energy": -402.72592008,
"energy_per_atom": -6.495579356129032,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -377.46592008,
"band_gap": 3.3954,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 6.0000238,
"is_theoretical": false,
"updated_at": "2021-11-28T01:34:55.834000Z",
"spacegroup": 2
},
{
"id": "mp-1203442",
"created_at": "2022-09-04T14:46:25.392199Z",
"structure_string": "Co2 P8 F24\n1.0\n3.973761 6.798477 0.000000\n-3.973761 6.798477 0.000000\n0.000000 6.185773 11.472847\nCo P F\n2 8 24\ndirect\n0.603412 0.396588 0.250000 Co\n0.396588 0.603412 0.750000 Co\n0.725154 0.242431 0.397607 P\n0.757569 0.274846 0.102393 P\n0.274846 0.757569 0.602393 P\n0.242431 0.725154 0.897607 P\n0.569850 0.706972 0.192672 P\n0.293028 0.430150 0.307328 P\n0.430150 0.293028 0.807328 P\n0.706972 0.569850 0.692672 P\n0.772306 0.360177 0.449485 F\n0.639823 0.227694 0.050515 F\n0.227694 0.639823 0.550515 F\n0.360177 0.772306 0.949485 F\n0.600328 0.141287 0.516149 F\n0.858713 0.399672 0.983851 F\n0.399672 0.858713 0.483851 F\n0.141287 0.600328 0.016149 F\n0.934691 0.054963 0.390694 F\n0.945037 0.065309 0.109306 F\n0.065309 0.945037 0.609306 F\n0.054963 0.934691 0.890694 F\n0.358342 0.887693 0.212865 F\n0.112307 0.641658 0.287135 F\n0.641658 0.112307 0.787135 F\n0.887693 0.358342 0.712865 F\n0.684719 0.765126 0.240503 F\n0.234874 0.315281 0.259497 F\n0.315281 0.234874 0.759497 F\n0.765126 0.684719 0.740503 F\n0.654272 0.798865 0.058683 F\n0.201135 0.345728 0.441317 F\n0.345728 0.201135 0.941317 F\n0.798865 0.654272 0.558683 F\n",
"nsites": 34,
"nelements": 3,
"elements": [
"Co",
"P",
"F"
],
"chemical_system": "Co-F-P",
"density": 2.200921512574133,
"density_atomic": 0.05484844805946317,
"volume": 619.889918546818,
"volume_molar": 10.979601015276097,
"formula_full": "Co2 P8 F24",
"formula_reduced": "CoP4F12",
"formula_anonymous": "AB4C12",
"energy": -188.82104898,
"energy_per_atom": -5.553560264117647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -174.45704898,
"band_gap": 1.2839999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 1.9991654,
"is_theoretical": false,
"updated_at": "2021-11-28T01:37:36.327000Z",
"spacegroup": 15
},
{
"id": "mp-26460",
"created_at": "2022-09-04T14:41:57.292258Z",
"structure_string": "Co2 P6 O18\n1.0\n6.620341 0.000000 0.000000\n-0.468378 6.848297 0.000000\n-0.450010 -1.503105 7.159920\nCo P O\n2 6 18\ndirect\n0.157286 0.089374 0.858843 Co\n0.842714 0.910626 0.141157 Co\n0.650768 0.566973 0.803572 P\n0.335473 0.876767 0.204316 P\n0.664527 0.123233 0.795684 P\n0.349232 0.433027 0.196428 P\n0.850515 0.804406 0.556268 P\n0.149485 0.195594 0.443732 P\n0.291422 0.011479 0.403116 O\n0.873918 0.756935 0.350769 O\n0.166457 0.910887 0.065193 O\n0.279668 0.376912 0.391309 O\n0.565430 0.406603 0.173022 O\n0.708578 0.988521 0.596884 O\n0.704626 0.337847 0.751648 O\n0.720332 0.623088 0.608691 O\n0.126082 0.243065 0.649231 O\n0.833543 0.089113 0.934807 O\n0.449653 0.071563 0.829667 O\n0.295374 0.662153 0.248352 O\n0.550347 0.928437 0.170333 O\n0.953806 0.146733 0.316676 O\n0.190036 0.324257 0.042116 O\n0.046194 0.853267 0.683324 O\n0.809964 0.675743 0.957884 O\n0.434570 0.593397 0.826978 O\n",
"nsites": 26,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.0267615022406447,
"density_atomic": 0.08009441464401124,
"volume": 324.6168926455105,
"volume_molar": 7.518802386865665,
"formula_full": "Co2 P6 O18",
"formula_reduced": "Co(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -194.43865934,
"energy_per_atom": -7.478409974615384,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -178.79665934,
"band_gap": 0.9751,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 4.0000078,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:31.614000Z",
"spacegroup": 2
}
]
}