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{
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"results": [
{
"id": "mp-13085",
"created_at": "2022-09-04T14:42:08.461403Z",
"structure_string": "Mn2 Co1 Sb1\n1.0\n0.000000 2.995674 2.995674\n2.995674 0.000000 2.995674\n2.995674 2.995674 0.000000\nMn Co Sb\n2 1 1\ndirect\n0.000000 0.000000 0.000000 Mn\n0.250000 0.250000 0.250000 Mn\n0.500000 0.500000 0.500000 Co\n0.750000 0.750000 0.750000 Sb\n",
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"volume": 53.7667326950521,
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{
"id": "mp-776765",
"created_at": "2022-09-04T14:41:57.249124Z",
"structure_string": "V3 Cr1 Sn2 P6 O24\n1.0\n7.899931 -4.301911 0.000000\n7.899931 4.301911 0.000000\n5.557324 0.000000 7.073295\nV Cr Sn P O\n3 1 2 6 24\ndirect\n0.647905 0.647905 0.647905 V\n0.852990 0.852990 0.852990 V\n0.351944 0.351944 0.351944 V\n0.147049 0.147049 0.147049 Cr\n0.001963 0.001963 0.001963 Sn\n0.500888 0.500888 0.500888 Sn\n0.249767 0.534329 0.963931 P\n0.963931 0.249767 0.534329 P\n0.534329 0.963931 0.249767 P\n0.463843 0.036619 0.749903 P\n0.036619 0.749903 0.463843 P\n0.749903 0.463843 0.036619 P\n0.129540 0.283389 0.508332 O\n0.508332 0.129540 0.283389 O\n0.283389 0.508332 0.129540 O\n0.076363 0.720153 0.937725 O\n0.221765 0.370447 0.986469 O\n0.424836 0.564562 0.779299 O\n0.937725 0.076363 0.720153 O\n0.779299 0.424836 0.564562 O\n0.629051 0.008901 0.783383 O\n0.564562 0.779299 0.424836 O\n0.279652 0.058701 0.923511 O\n0.008901 0.783383 0.629051 O\n0.986469 0.221765 0.370447 O\n0.720153 0.937725 0.076363 O\n0.438371 0.220618 0.575112 O\n0.370447 0.986469 0.221765 O\n0.220618 0.575112 0.438371 O\n0.058701 0.923511 0.279652 O\n0.575112 0.438371 0.220618 O\n0.783383 0.629051 0.008901 O\n0.923511 0.279652 0.058701 O\n0.712763 0.494245 0.871655 O\n0.494245 0.871655 0.712763 O\n0.871655 0.712763 0.494245 O\n",
"nsites": 36,
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"elements": [
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],
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"density": 3.495607286139667,
"density_atomic": 0.07488003083442839,
"volume": 480.76903279596274,
"volume_molar": 8.042385523739844,
"formula_full": "V3 Cr1 Sn2 P6 O24",
"formula_reduced": "V3CrSn2(PO4)6",
"formula_anonymous": "AB2C3D6E24",
"energy": -287.59298812,
"energy_per_atom": -7.988694114444444,
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"updated_at": "2021-11-28T01:35:32.434000Z",
"spacegroup": 146
},
{
"id": "mp-510650",
"created_at": "2022-09-04T14:41:56.561797Z",
"structure_string": "Ni2 P4 H16 O20\n1.0\n9.919680 0.000000 0.000000\n0.000000 5.339585 0.000000\n0.000000 4.847727 7.184885\nNi P H O\n2 4 16 20\ndirect\n0.500000 0.000000 0.500000 Ni\n0.000000 0.000000 0.000000 Ni\n0.716408 0.096214 0.164531 P\n0.216408 0.903786 0.335469 P\n0.283592 0.903786 0.835469 P\n0.783592 0.096214 0.664531 P\n0.576882 0.417812 0.660829 H\n0.076882 0.582188 0.839171 H\n0.423118 0.582188 0.339171 H\n0.923118 0.417812 0.160829 H\n0.450368 0.426510 0.764725 H\n0.950368 0.573490 0.735275 H\n0.549632 0.573490 0.235275 H\n0.049632 0.426510 0.264725 H\n0.609498 0.453906 0.903684 H\n0.109498 0.546094 0.596316 H\n0.390502 0.546094 0.096316 H\n0.890502 0.453906 0.403684 H\n0.721912 0.882017 0.013132 H\n0.221912 0.117983 0.486868 H\n0.278088 0.117983 0.986868 H\n0.778088 0.882017 0.513132 H\n0.670796 0.988330 0.360855 O\n0.170796 0.011670 0.139145 O\n0.329204 0.011670 0.639145 O\n0.829204 0.988330 0.860855 O\n0.868999 0.137992 0.135899 O\n0.368999 0.862008 0.364101 O\n0.131001 0.862008 0.864101 O\n0.631001 0.137992 0.635899 O\n0.640218 0.402819 0.028934 O\n0.140218 0.597181 0.471066 O\n0.359782 0.597181 0.971066 O\n0.859782 0.402819 0.528934 O\n0.667542 0.856494 0.122338 O\n0.167542 0.143506 0.377662 O\n0.332458 0.143506 0.877662 O\n0.832458 0.856494 0.622338 O\n0.535654 0.538998 0.705478 O\n0.035654 0.461002 0.794522 O\n0.464346 0.461002 0.294522 O\n0.964346 0.538998 0.205478 O\n",
"nsites": 42,
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"elements": [
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"P",
"H",
"O"
],
"chemical_system": "H-Ni-O-P",
"density": 2.5194082561483313,
"density_atomic": 0.11036320454472774,
"volume": 380.5616208160967,
"volume_molar": 5.4566563057340005,
"formula_full": "Ni2 P4 H16 O20",
"formula_reduced": "NiP2(H4O5)2",
"formula_anonymous": "AB2C8D10",
"energy": -260.65618396,
"energy_per_atom": -6.206099618095239,
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"updated_at": "2021-11-28T01:35:35.047000Z",
"spacegroup": 14
},
{
"id": "mp-1175994",
"created_at": "2022-09-04T14:42:08.484459Z",
"structure_string": "Li9 Mn2 Co5 O16\n1.0\n5.101844 0.000000 0.000000\n0.079357 5.903260 0.000000\n1.967609 0.239201 9.495678\nLi Mn Co O\n9 2 5 16\ndirect\n0.500460 0.253986 0.993182 Li\n0.261209 0.508815 0.260107 Li\n0.496077 0.744838 0.996446 Li\n0.255071 0.998397 0.257578 Li\n0.746920 0.000683 0.746356 Li\n0.740419 0.490107 0.738283 Li\n0.003643 0.745348 0.505899 Li\n0.992584 0.256044 0.505112 Li\n0.496636 0.498389 0.499041 Li\n0.003942 0.999436 0.999390 Mn\n0.752619 0.254371 0.252479 Mn\n0.253539 0.742703 0.740195 Co\n0.999675 0.498221 0.999310 Co\n0.754238 0.751988 0.254241 Co\n0.495493 0.998497 0.499364 Co\n0.252801 0.251422 0.739819 Co\n0.346728 0.996187 0.882226 O\n0.100838 0.244902 0.114414 O\n0.343019 0.499790 0.878571 O\n0.100450 0.765164 0.126337 O\n0.603349 0.763279 0.629207 O\n0.597750 0.242663 0.631365 O\n0.868894 0.494022 0.354195 O\n0.869237 0.022721 0.369941 O\n0.650816 0.483266 0.122412 O\n0.412023 0.756264 0.369320 O\n0.655836 0.006471 0.134473 O\n0.406887 0.240364 0.368635 O\n0.892880 0.229796 0.879134 O\n0.895724 0.757610 0.891674 O\n0.133923 0.999719 0.625078 O\n0.116322 0.504538 0.636217 O\n",
"nsites": 32,
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"elements": [
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"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.198007490038875,
"density_atomic": 0.11189351390997791,
"volume": 285.98619242349537,
"volume_molar": 5.3820284568460455,
"formula_full": "Li9 Mn2 Co5 O16",
"formula_reduced": "Li9Mn2Co5O16",
"formula_anonymous": "A2B5C9D16",
"energy": -208.3998637,
"energy_per_atom": -6.512495740625,
"energy_above_hull": null,
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"is_theoretical": true,
"updated_at": "2021-11-28T01:35:40.633000Z",
"spacegroup": 1
},
{
"id": "mp-755671",
"created_at": "2022-09-04T14:42:00.541390Z",
"structure_string": "Mn2 O4\n1.0\n10.209836 -1.462830 0.000000\n10.209836 1.462830 0.000000\n10.000246 0.000000 2.525013\nMn O\n2 4\ndirect\n0.500000 0.500000 0.500000 Mn\n0.000000 0.000000 0.000000 Mn\n0.635196 0.635196 0.635196 O\n0.198121 0.198121 0.198121 O\n0.801879 0.801879 0.801879 O\n0.364804 0.364804 0.364804 O\n",
"nsites": 6,
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"elements": [
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"density": 3.8280423156926062,
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"volume": 75.42342301580828,
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"formula_full": "Mn2 O4",
"formula_reduced": "MnO2",
"formula_anonymous": "AB2",
"energy": -48.86984298,
"energy_per_atom": -8.14497383,
"energy_above_hull": null,
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"updated_at": "2021-11-28T01:35:35.878000Z",
"spacegroup": 166
},
{
"id": "mp-6723",
"created_at": "2022-09-04T14:42:08.467666Z",
"structure_string": "Sr6 Zn2 Ir2 O12\n1.0\n4.723166 -4.842982 0.000000\n4.723166 4.842982 0.000000\n-0.242672 0.000000 6.760465\nSr Zn Ir O\n6 2 2 12\ndirect\n0.250000 0.612295 0.887705 Sr\n0.887705 0.250000 0.612295 Sr\n0.612295 0.887705 0.250000 Sr\n0.750000 0.387705 0.112295 Sr\n0.112295 0.750000 0.387705 Sr\n0.387705 0.112295 0.750000 Sr\n0.750000 0.750000 0.750000 Zn\n0.250000 0.250000 0.250000 Zn\n0.500000 0.500000 0.500000 Ir\n0.000000 0.000000 0.000000 Ir\n0.094155 0.284677 0.959573 O\n0.959573 0.094155 0.284677 O\n0.284677 0.959573 0.094155 O\n0.405845 0.540427 0.215323 O\n0.215323 0.405845 0.540427 O\n0.540427 0.215323 0.405845 O\n0.905845 0.715323 0.040427 O\n0.040427 0.905845 0.715323 O\n0.715323 0.040427 0.905845 O\n0.594155 0.459573 0.784677 O\n0.459573 0.784677 0.594155 O\n0.784677 0.594155 0.459573 O\n",
"nsites": 22,
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"elements": [
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],
"chemical_system": "Ir-O-Sr-Zn",
"density": 6.619834725355072,
"density_atomic": 0.07113282421619979,
"volume": 309.2805641054488,
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"formula_full": "Sr6 Zn2 Ir2 O12",
"formula_reduced": "Sr3ZnIrO6",
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"energy": -142.65013447,
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"spacegroup": 167
},
{
"id": "mp-1222675",
"created_at": "2022-09-04T14:42:08.469172Z",
"structure_string": "Li8 V4 P4 O16 F4\n1.0\n-3.283882 -4.034162 1.650695\n-6.574040 0.000692 -4.121752\n3.278741 -4.034034 -9.072948\nLi V P O F\n8 4 4 16 4\ndirect\n0.494755 0.531974 0.811945 Li\n0.994730 0.031984 0.311929 Li\n0.715309 0.564570 0.591470 Li\n0.215313 0.064553 0.091479 Li\n0.311267 0.665875 0.267244 Li\n0.811244 0.165878 0.767238 Li\n0.306546 0.294783 0.272059 Li\n0.806543 0.794721 0.772066 Li\n0.501259 0.999456 0.500715 V\n0.251781 0.249473 0.750332 V\n0.001370 0.499476 0.000869 V\n0.752009 0.749368 0.250312 V\n0.658156 0.197235 0.052610 P\n0.158171 0.697203 0.552596 P\n0.342778 0.802475 0.947577 P\n0.842765 0.302514 0.447558 P\n0.855459 0.292246 0.093759 O\n0.355444 0.792242 0.593714 O\n0.317941 0.482916 0.630376 O\n0.817973 0.982909 0.130337 O\n0.166265 0.693619 0.903378 O\n0.666296 0.193632 0.403382 O\n0.687441 0.521720 0.381436 O\n0.187453 0.021684 0.881452 O\n0.386738 0.267500 0.094697 O\n0.886756 0.767508 0.594675 O\n0.584406 0.242345 0.895769 O\n0.084496 0.742311 0.395747 O\n0.607407 0.719986 0.902471 O\n0.107463 0.219986 0.402484 O\n0.407849 0.774820 0.102495 O\n0.907830 0.274815 0.602468 O\n0.912162 0.446480 0.804066 F\n0.412190 0.946473 0.304061 F\n0.073030 0.559043 0.191210 F\n0.573003 0.059026 0.691225 F\n",
"nsites": 36,
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"elements": [
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"V",
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"O",
"F"
],
"chemical_system": "F-Li-O-P-V",
"density": 3.0177071638477777,
"density_atomic": 0.09147856642806436,
"volume": 393.534807175943,
"volume_molar": 6.583116674369408,
"formula_full": "Li8 V4 P4 O16 F4",
"formula_reduced": "Li2VPO4F",
"formula_anonymous": "ABCD2E4",
"energy": -258.27487696000003,
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"updated_at": "2021-11-28T01:35:40.886000Z",
"spacegroup": 5
},
{
"id": "mp-643930",
"created_at": "2022-09-04T14:42:00.719366Z",
"structure_string": "Eu8 H16 Pd4\n1.0\n5.401933 0.000000 0.000000\n0.000000 7.476299 0.000000\n0.000000 0.000000 9.525797\nEu H Pd\n8 16 4\ndirect\n0.250000 0.150973 0.591965 Eu\n0.250000 0.650973 0.908035 Eu\n0.750000 0.849027 0.408035 Eu\n0.750000 0.349027 0.091965 Eu\n0.250000 0.488753 0.330729 Eu\n0.250000 0.988753 0.169271 Eu\n0.750000 0.511247 0.669271 Eu\n0.750000 0.011247 0.830729 Eu\n0.521736 0.327292 0.839459 H\n0.978264 0.827292 0.660541 H\n0.021736 0.672708 0.160541 H\n0.478264 0.172708 0.339459 H\n0.478264 0.672708 0.160541 H\n0.021736 0.172708 0.339459 H\n0.978264 0.327292 0.839459 H\n0.521736 0.827292 0.660541 H\n0.250000 0.001596 0.897989 H\n0.250000 0.501596 0.602011 H\n0.750000 0.998404 0.102011 H\n0.750000 0.498404 0.397989 H\n0.250000 0.322562 0.095187 H\n0.250000 0.822562 0.404813 H\n0.750000 0.677438 0.904813 H\n0.750000 0.177438 0.595187 H\n0.250000 0.239608 0.915706 Pd\n0.250000 0.739608 0.584294 Pd\n0.750000 0.760392 0.084294 Pd\n0.750000 0.260392 0.415706 Pd\n",
"nsites": 28,
"nelements": 3,
"elements": [
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"H",
"Pd"
],
"chemical_system": "Eu-H-Pd",
"density": 7.154354338731474,
"density_atomic": 0.07278147519259319,
"volume": 384.7132793874656,
"volume_molar": 8.274276859687587,
"formula_full": "Eu8 H16 Pd4",
"formula_reduced": "Eu2H4Pd",
"formula_anonymous": "AB2C4",
"energy": -172.42928335,
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"updated_at": "2021-11-28T01:35:34.279000Z",
"spacegroup": 62
},
{
"id": "mp-1324966",
"created_at": "2022-09-04T14:41:57.283279Z",
"structure_string": "Li8 Mn2 Co4 O14\n1.0\n5.917058 0.000000 0.000000\n-1.604518 6.368024 0.000000\n-1.268475 -3.648680 6.642967\nLi Mn Co O\n8 2 4 14\ndirect\n0.793321 0.425203 0.865666 Li\n0.076657 0.852346 0.717447 Li\n0.352753 0.290067 0.575035 Li\n0.645362 0.711396 0.430963 Li\n0.927928 0.146268 0.287192 Li\n0.215785 0.567661 0.134811 Li\n0.492021 0.008123 0.990741 Li\n0.284839 0.429330 0.855180 Li\n0.002270 0.003594 0.998917 Mn\n0.144866 0.709124 0.430310 Mn\n0.558808 0.845723 0.719032 Co\n0.861692 0.282716 0.578723 Co\n0.430704 0.157393 0.275030 Co\n0.710174 0.569916 0.140042 Co\n0.107863 0.260397 0.074875 O\n0.407675 0.722028 0.922661 O\n0.704230 0.135394 0.802089 O\n0.967910 0.569430 0.622758 O\n0.254415 0.985237 0.491372 O\n0.551996 0.431346 0.347146 O\n0.843768 0.842357 0.214511 O\n0.442494 0.589426 0.621744 O\n0.738670 0.014192 0.508574 O\n0.039317 0.444087 0.363743 O\n0.294566 0.863752 0.209023 O\n0.610864 0.291151 0.087893 O\n0.880244 0.720641 0.938102 O\n0.158809 0.131702 0.796418 O\n",
"nsites": 28,
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"elements": [
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"Mn",
"Co",
"O"
],
"chemical_system": "Co-Li-Mn-O",
"density": 4.1471119854040674,
"density_atomic": 0.11186273114422005,
"volume": 250.3067796896604,
"volume_molar": 5.383509501690873,
"formula_full": "Li8 Mn2 Co4 O14",
"formula_reduced": "Li4MnCo2O7",
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