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=-formula_reduced&page=10196",
"previous": "https://simmate.org/third-parties/MatprojStructure/?format=api&ordering=-formula_reduced&page=10194",
"results": [
{
"id": "mp-849770",
"created_at": "2022-09-04T14:44:21.538923Z",
"structure_string": "Co2 P2 O8\n1.0\n2.668605 4.324350 0.000000\n-2.668605 4.324350 0.000000\n0.000000 2.468710 8.414321\nCo P O\n2 2 8\ndirect\n0.698946 0.304221 0.747467 Co\n0.304221 0.698946 0.247467 Co\n0.926830 0.322461 0.374220 P\n0.322461 0.926830 0.874220 P\n0.698861 0.437329 0.257496 O\n0.777109 0.230833 0.540743 O\n0.055110 0.206906 0.814756 O\n0.560575 0.032339 0.883354 O\n0.206906 0.055110 0.314756 O\n0.437329 0.698861 0.757496 O\n0.032339 0.560575 0.383354 O\n0.230833 0.777109 0.040743 O\n",
"nsites": 12,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.631942324215333,
"density_atomic": 0.061791258672491495,
"volume": 194.20222629875337,
"volume_molar": 9.745942855637221,
"formula_full": "Co2 P2 O8",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -89.76718672000001,
"energy_per_atom": -7.480598893333334,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -80.99518672,
"band_gap": 1.0727,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 8.0018385,
"is_theoretical": true,
"updated_at": "2021-11-28T01:36:34.889000Z",
"spacegroup": 9
},
{
"id": "mp-27046",
"created_at": "2022-09-04T14:48:19.447428Z",
"structure_string": "Co4 P4 O16\n1.0\n-2.984769 4.374452 0.000000\n-0.000026 -0.000017 6.411339\n6.418587 4.379518 -0.000038\nCo P O\n4 4 16\ndirect\n0.500000 0.000000 0.500000 Co\n0.500000 0.500000 0.500000 Co\n0.000000 0.000000 0.000000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.750005 0.651369 P\n0.500000 0.749998 0.151380 P\n0.000000 0.249995 0.348631 P\n0.500000 0.250003 0.848620 P\n0.242869 0.750000 0.537658 O\n0.742768 0.749996 0.037637 O\n0.757131 0.250000 0.462342 O\n0.257231 0.250003 0.962363 O\n0.757131 0.749999 0.537657 O\n0.257232 0.749997 0.037637 O\n0.242869 0.250000 0.462343 O\n0.742768 0.250004 0.962363 O\n0.000000 0.551211 0.763366 O\n0.500000 0.551309 0.263534 O\n0.000000 0.051213 0.236641 O\n0.500000 0.051325 0.736468 O\n0.000000 0.448789 0.236634 O\n0.499999 0.448691 0.736466 O\n0.000000 0.948787 0.763359 O\n0.500000 0.948675 0.263532 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 3.8747677667779272,
"density_atomic": 0.09096961402609306,
"volume": 263.82435780277154,
"volume_molar": 6.619947577520395,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -179.39448036000002,
"energy_per_atom": -7.474770015000001,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.85048036,
"band_gap": 0.2776999999999998,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 3.37e-05,
"is_theoretical": true,
"updated_at": "2021-11-28T01:38:49.883000Z",
"spacegroup": 63
},
{
"id": "mp-753839",
"created_at": "2022-09-04T14:40:18.617435Z",
"structure_string": "Co4 P4 O16\n1.0\n5.294224 0.000000 0.000000\n0.000000 7.801998 0.000000\n0.000000 1.971618 8.552536\nCo P O\n4 4 16\ndirect\n0.871307 0.030167 0.066393 Co\n0.310938 0.514261 0.271509 Co\n0.128693 0.030167 0.566393 Co\n0.689062 0.514261 0.771509 Co\n0.673064 0.747705 0.027896 P\n0.810238 0.259685 0.314250 P\n0.326936 0.747705 0.527896 P\n0.189762 0.259685 0.814250 P\n0.163768 0.115275 0.968147 O\n0.412254 0.677745 0.097639 O\n0.724757 0.173408 0.179887 O\n0.860396 0.779185 0.157145 O\n0.074673 0.342836 0.272227 O\n0.617781 0.395402 0.340616 O\n0.836232 0.115275 0.468147 O\n0.216618 0.620828 0.435108 O\n0.349513 0.939586 0.426464 O\n0.587746 0.677745 0.597639 O\n0.275243 0.173408 0.679887 O\n0.139604 0.779185 0.657145 O\n0.925327 0.342836 0.772227 O\n0.382219 0.395402 0.840616 O\n0.783382 0.620828 0.935108 O\n0.650487 0.939586 0.926464 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.8937266895512086,
"density_atomic": 0.06793728447482579,
"volume": 353.26699007072057,
"volume_molar": 8.864264750280839,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -177.89862006,
"energy_per_atom": -7.4124425025,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -160.35462006,
"band_gap": 0.9736,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 15.9997468,
"is_theoretical": true,
"updated_at": "2021-11-28T01:34:51.778000Z",
"spacegroup": 7
},
{
"id": "mp-766042",
"created_at": "2022-09-04T14:46:10.170364Z",
"structure_string": "Co4 P4 O16\n1.0\n5.031421 0.000000 0.000000\n0.000000 6.944581 0.000000\n0.000000 0.000000 10.304958\nCo P O\n4 4 16\ndirect\n0.742308 0.778296 0.091370 Co\n0.242308 0.278296 0.408630 Co\n0.742308 0.721704 0.591370 Co\n0.242308 0.221704 0.908630 Co\n0.249096 0.017104 0.170741 P\n0.749096 0.517104 0.329259 P\n0.249096 0.482896 0.670741 P\n0.749096 0.982896 0.829259 P\n0.185504 0.197190 0.085440 O\n0.102782 0.836704 0.119442 O\n0.664332 0.560397 0.187435 O\n0.551794 0.980077 0.167631 O\n0.051794 0.480077 0.332369 O\n0.164332 0.060397 0.312565 O\n0.602782 0.336704 0.380558 O\n0.685504 0.697190 0.414560 O\n0.185504 0.302810 0.585440 O\n0.102782 0.663296 0.619442 O\n0.664332 0.939603 0.687435 O\n0.551794 0.519923 0.667631 O\n0.051794 0.019923 0.832369 O\n0.164332 0.439603 0.812565 O\n0.602782 0.163296 0.880558 O\n0.685504 0.802810 0.914560 O\n",
"nsites": 24,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.8390800373630616,
"density_atomic": 0.06665432117054816,
"volume": 360.06667802663975,
"volume_molar": 9.034884241925099,
"formula_full": "Co4 P4 O16",
"formula_reduced": "CoPO4",
"formula_anonymous": "ABC4",
"energy": -179.19755515,
"energy_per_atom": -7.466564797916667,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -161.65355515,
"band_gap": 1.2662,
"is_gap_direct": false,
"is_magnetic": true,
"total_magnetization": 16.0006835,
"is_theoretical": true,
"updated_at": "2021-11-28T01:37:23.276000Z",
"spacegroup": 33
},
{
"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-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-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-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-26998",
"created_at": "2022-09-04T14:41:22.624897Z",
"structure_string": "Co4 P16 O48\n1.0\n8.407705 0.000000 0.000000\n0.000000 9.262238 0.000000\n0.000000 0.000000 12.818414\nCo P O\n4 16 48\ndirect\n0.859017 0.750000 0.500000 Co\n0.359017 0.750000 0.000000 Co\n0.140983 0.250000 0.500000 Co\n0.640983 0.250000 0.000000 Co\n0.964261 0.487290 0.648856 P\n0.183723 0.992275 0.857029 P\n0.183723 0.507725 0.142971 P\n0.683723 0.507725 0.357029 P\n0.464261 0.012710 0.148856 P\n0.035739 0.512710 0.351144 P\n0.816277 0.492275 0.857029 P\n0.683723 0.992275 0.642971 P\n0.964261 0.012710 0.351144 P\n0.535739 0.987290 0.851144 P\n0.316277 0.492275 0.642971 P\n0.816277 0.007725 0.142971 P\n0.316277 0.007725 0.357029 P\n0.035739 0.987290 0.648856 P\n0.464261 0.487290 0.851144 P\n0.535739 0.512710 0.148856 P\n0.198714 0.865662 0.932779 O\n0.095220 0.379595 0.104885 O\n0.868991 0.879544 0.375447 O\n0.471430 0.131500 0.068450 O\n0.198714 0.634338 0.067221 O\n0.028570 0.631500 0.431550 O\n0.095220 0.120405 0.895115 O\n0.971430 0.131500 0.431550 O\n0.028570 0.868500 0.568450 O\n0.893183 0.079675 0.245978 O\n0.801286 0.134338 0.067221 O\n0.140394 0.965269 0.316452 O\n0.359606 0.465269 0.183548 O\n0.698714 0.634338 0.432779 O\n0.140394 0.534731 0.683548 O\n0.868991 0.620456 0.624553 O\n0.393183 0.420325 0.745978 O\n0.106817 0.579675 0.245978 O\n0.404780 0.879595 0.395115 O\n0.631009 0.379544 0.124553 O\n0.595220 0.120405 0.604885 O\n0.404780 0.620405 0.604885 O\n0.359606 0.034731 0.816452 O\n0.904780 0.879595 0.104885 O\n0.859606 0.034731 0.683548 O\n0.301286 0.134338 0.432779 O\n0.859606 0.465269 0.316452 O\n0.640394 0.965269 0.183548 O\n0.131009 0.120456 0.624553 O\n0.698714 0.865662 0.567221 O\n0.471430 0.368500 0.931550 O\n0.801286 0.365662 0.932779 O\n0.528570 0.868500 0.931550 O\n0.631009 0.120456 0.875447 O\n0.904780 0.620405 0.895115 O\n0.606817 0.920325 0.745978 O\n0.131009 0.379544 0.375447 O\n0.528570 0.631500 0.068450 O\n0.971430 0.368500 0.568450 O\n0.106817 0.920325 0.754022 O\n0.393183 0.079675 0.254022 O\n0.368991 0.879544 0.124553 O\n0.606817 0.579675 0.254022 O\n0.640394 0.534731 0.816452 O\n0.595220 0.379595 0.395115 O\n0.893183 0.420325 0.754022 O\n0.368991 0.620456 0.875447 O\n0.301286 0.365662 0.567221 O\n",
"nsites": 68,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.4940511611661966,
"density_atomic": 0.06812103175497809,
"volume": 998.2232835901043,
"volume_molar": 8.840354593660303,
"formula_full": "Co4 P16 O48",
"formula_reduced": "Co(PO3)4",
"formula_anonymous": "AB4C12",
"energy": -503.23444517,
"energy_per_atom": -7.400506546617647,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -463.70644517,
"band_gap": 0.3705,
"is_gap_direct": true,
"is_magnetic": true,
"total_magnetization": 3.9770363,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:15.377000Z",
"spacegroup": 60
},
{
"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-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-584429",
"created_at": "2022-09-04T14:42:56.667630Z",
"structure_string": "Co4 P12 O36\n1.0\n5.120312 0.000000 0.000000\n0.000000 11.927023 0.000000\n0.000000 0.000000 12.944712\nCo P O\n4 12 36\ndirect\n0.000000 0.000000 0.000000 Co\n0.000000 0.000000 0.500000 Co\n0.000000 0.500000 0.000000 Co\n0.000000 0.500000 0.500000 Co\n0.239283 0.750000 0.000000 P\n0.239283 0.750000 0.500000 P\n0.495962 0.083413 0.631574 P\n0.495962 0.083413 0.868426 P\n0.495962 0.416587 0.131574 P\n0.495962 0.416587 0.368426 P\n0.504038 0.583413 0.631574 P\n0.504038 0.583413 0.868426 P\n0.504038 0.916587 0.131574 P\n0.504038 0.916587 0.368426 P\n0.760717 0.250000 0.000000 P\n0.760717 0.250000 0.500000 P\n0.087522 0.653976 0.045671 O\n0.087522 0.653976 0.454329 O\n0.087522 0.846024 0.545671 O\n0.087522 0.846024 0.954329 O\n0.208248 0.060940 0.618460 O\n0.208248 0.060940 0.881540 O\n0.208248 0.439060 0.118460 O\n0.208248 0.439060 0.381540 O\n0.316171 0.003178 0.091252 O\n0.316171 0.003178 0.408748 O\n0.316171 0.496822 0.591252 O\n0.316171 0.496822 0.908748 O\n0.438479 0.706130 0.586627 O\n0.438479 0.706130 0.913373 O\n0.438479 0.793870 0.086627 O\n0.438479 0.793870 0.413373 O\n0.443774 0.608140 0.750000 O\n0.443774 0.891860 0.250000 O\n0.556226 0.108140 0.750000 O\n0.556226 0.391860 0.250000 O\n0.561521 0.206130 0.586627 O\n0.561521 0.206130 0.913373 O\n0.561521 0.293870 0.086627 O\n0.561521 0.293870 0.413373 O\n0.683829 0.996822 0.591252 O\n0.683829 0.996822 0.908748 O\n0.683829 0.503178 0.091252 O\n0.683829 0.503178 0.408748 O\n0.791752 0.560940 0.618460 O\n0.791752 0.560940 0.881540 O\n0.791752 0.939060 0.118460 O\n0.791752 0.939060 0.381540 O\n0.912478 0.153976 0.045671 O\n0.912478 0.153976 0.454329 O\n0.912478 0.346024 0.545671 O\n0.912478 0.346024 0.954329 O\n",
"nsites": 52,
"nelements": 3,
"elements": [
"Co",
"P",
"O"
],
"chemical_system": "Co-O-P",
"density": 2.4857556723702694,
"density_atomic": 0.06577827337209805,
"volume": 790.534584358024,
"volume_molar": 9.155212582023298,
"formula_full": "Co4 P12 O36",
"formula_reduced": "Co(PO3)3",
"formula_anonymous": "AB3C9",
"energy": -392.15145618,
"energy_per_atom": -7.5413741573076924,
"energy_above_hull": null,
"is_stable": null,
"decomposes_to": null,
"formation_energy": null,
"formation_energy_per_atom": null,
"energy_uncorrected": -360.86745618,
"band_gap": 1.5263,
"is_gap_direct": false,
"is_magnetic": false,
"total_magnetization": 0.0006349,
"is_theoretical": true,
"updated_at": "2021-11-28T01:35:57.824000Z",
"spacegroup": 57
}
]
}